smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001029183 203874264 /nfs/dbraw/zinc/87/42/64/203874264.db2.gz DAEVWYPVHMOFIX-NEPJUHHUSA-N -1 0 379.869 2.709 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 ZINC000003359305 204002172 /nfs/dbraw/zinc/00/21/72/204002172.db2.gz IUXPHPNKJXVTTH-UHFFFAOYSA-N -1 0 384.417 2.538 50 0 GFAARM CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3N)c(=O)[n-]2)c1 ZINC000003491453 204009685 /nfs/dbraw/zinc/00/96/85/204009685.db2.gz AVPZMYMIPXTSMM-UHFFFAOYSA-N -1 0 395.444 2.760 50 0 GFAARM COc1ccc(CCNC(=O)CSc2ccccc2C(=O)[O-])cc1OC ZINC000003491485 204010508 /nfs/dbraw/zinc/01/05/08/204010508.db2.gz BIIHWIBFBGHQMU-UHFFFAOYSA-N -1 0 375.446 2.853 50 0 GFAARM COC(=O)c1cn([N-]C(=O)c2ccc(Br)o2)c(=O)c2ccccc12 ZINC000003630732 204017312 /nfs/dbraw/zinc/01/73/12/204017312.db2.gz SJOYVEQKYNYKMX-UHFFFAOYSA-N -1 0 391.177 2.528 50 0 GFAARM COc1ccc2nc([N-][C@]3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1 ZINC000004690195 204064574 /nfs/dbraw/zinc/06/45/74/204064574.db2.gz XIQUIOJDKKCLSH-ZDUSSCGKSA-N -1 0 388.396 2.920 50 0 GFAARM CC(C)[C@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000005102879 204111853 /nfs/dbraw/zinc/11/18/53/204111853.db2.gz QKGRIBSRJBJWAO-WQJNHMDYSA-N -1 0 384.407 2.822 50 0 GFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000004992501 204101301 /nfs/dbraw/zinc/10/13/01/204101301.db2.gz QQEGIWFIPAGCEK-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM Cc1n[n-]c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nc1=O ZINC000006016795 204162077 /nfs/dbraw/zinc/16/20/77/204162077.db2.gz IRBWONSKPHCIJR-UHFFFAOYSA-N -1 0 382.445 2.783 50 0 GFAARM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)nc2scc(C)n2c1=O ZINC000006823685 204212636 /nfs/dbraw/zinc/21/26/36/204212636.db2.gz YHSVSQGARACEMW-HNNXBMFYSA-N -1 0 391.518 2.672 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000007059967 204231251 /nfs/dbraw/zinc/23/12/51/204231251.db2.gz HIZPMWNONWOMPF-UHFFFAOYSA-N -1 0 396.852 2.676 50 0 GFAARM O=C(c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)s1)N1CCCC1 ZINC000009807537 204324871 /nfs/dbraw/zinc/32/48/71/204324871.db2.gz SUQFCPJCJPCNFT-UHFFFAOYSA-N -1 0 380.447 2.514 50 0 GFAARM COc1ccc(OC)c(NC(C)=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000009108574 204298758 /nfs/dbraw/zinc/29/87/58/204298758.db2.gz ZPOFYRBSIDKNMG-AQTBWJFISA-N -1 0 395.415 2.981 50 0 GFAARM CC(C)S(=O)(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000299388321 205080209 /nfs/dbraw/zinc/08/02/09/205080209.db2.gz ZHGFCSFVZRVFJJ-XIRDDKMYSA-N -1 0 379.478 2.727 50 0 GFAARM COCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])o1 ZINC000299745951 205100140 /nfs/dbraw/zinc/10/01/40/205100140.db2.gz UGEWFWIFLRBTIM-HNNXBMFYSA-N -1 0 389.404 2.658 50 0 GFAARM CCCS(=O)(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000299748660 205100954 /nfs/dbraw/zinc/10/09/54/205100954.db2.gz HVDMAHDPLVHWPV-XIRDDKMYSA-N -1 0 379.478 2.728 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CCO1 ZINC000299748298 205101506 /nfs/dbraw/zinc/10/15/06/205101506.db2.gz GTVGUNGAHKJYRE-SFHVURJKSA-N -1 0 378.384 2.934 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1nc(-c2cccs2)no1 ZINC000299750505 205105033 /nfs/dbraw/zinc/10/50/33/205105033.db2.gz NPRUJWGNLPAVCD-AGIUHOORSA-N -1 0 375.450 2.975 50 0 GFAARM CCN(c1cccc(F)c1)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000053669277 205138912 /nfs/dbraw/zinc/13/89/12/205138912.db2.gz IWMIHDKVXBAXNR-UHFFFAOYSA-N -1 0 381.381 2.510 50 0 GFAARM CO[C@@](C(=O)Nc1c(C)nn(CC(=O)[O-])c1C)(c1ccccc1)C(F)(F)F ZINC000055072090 205141122 /nfs/dbraw/zinc/14/11/22/205141122.db2.gz DTQZVQZXOXHWSZ-MRXNPFEDSA-N -1 0 385.342 2.627 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)cc1C ZINC000065128903 205211555 /nfs/dbraw/zinc/21/15/55/205211555.db2.gz FEMUUTPNSDLKRF-UHFFFAOYSA-N -1 0 375.475 2.926 50 0 GFAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cn21 ZINC000065247296 205222546 /nfs/dbraw/zinc/22/25/46/205222546.db2.gz ZTRFGGRJGMZFTR-UHFFFAOYSA-N -1 0 380.857 2.533 50 0 GFAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000065361897 205230999 /nfs/dbraw/zinc/23/09/99/205230999.db2.gz SHRHDLBPBAOEHO-UHFFFAOYSA-N -1 0 378.425 2.871 50 0 GFAARM CN1c2ccccc2[C@@](CCC(=O)NCCC(=O)[O-])(Cc2ccccc2)C1=O ZINC000071422238 205283631 /nfs/dbraw/zinc/28/36/31/205283631.db2.gz QERAALPNGAQVTE-JOCHJYFZSA-N -1 0 380.444 2.515 50 0 GFAARM O=C([O-])[C@H](NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O)c1ccccc1 ZINC000071283443 205280201 /nfs/dbraw/zinc/28/02/01/205280201.db2.gz CVLOLYRNGSMQGV-LJQANCHMSA-N -1 0 397.818 2.506 50 0 GFAARM Cc1ncsc1C(=O)N1CCC(C(=O)[O-])(n2ccc(-c3ccco3)n2)CC1 ZINC000072429531 205351216 /nfs/dbraw/zinc/35/12/16/205351216.db2.gz XLRPOLAKDVRCEZ-UHFFFAOYSA-N -1 0 386.433 2.624 50 0 GFAARM O=C([O-])c1csc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n1 ZINC000089793889 205408871 /nfs/dbraw/zinc/40/88/71/205408871.db2.gz JZYNUVFMIFLKNZ-UHFFFAOYSA-N -1 0 386.408 2.585 50 0 GFAARM CCOc1ccccc1CC(=O)N1C[C@@H](c2cccc(OC)c2)[C@H](C(=O)[O-])C1 ZINC000091486096 205416191 /nfs/dbraw/zinc/41/61/91/205416191.db2.gz VWKKYJHEWDCQSC-RBUKOAKNSA-N -1 0 383.444 2.963 50 0 GFAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)c3cccc(-n4cnnc4)c3)C2)c1 ZINC000095362398 205444617 /nfs/dbraw/zinc/44/46/17/205444617.db2.gz PHXJZIWSROISEF-MRXNPFEDSA-N -1 0 376.416 2.670 50 0 GFAARM O=C([O-])c1cccn1C1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000095970565 205511779 /nfs/dbraw/zinc/51/17/79/205511779.db2.gz VMCKPJFQUXEFAE-UHFFFAOYSA-N -1 0 378.432 2.908 50 0 GFAARM Cc1nc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])nn1-c1ccccc1Cl ZINC000237681218 205685319 /nfs/dbraw/zinc/68/53/19/205685319.db2.gz MHQRHQCJQIORRH-QGZVFWFLSA-N -1 0 396.834 2.881 50 0 GFAARM O=C([O-])C[C@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCO1 ZINC000238051941 205687065 /nfs/dbraw/zinc/68/70/65/205687065.db2.gz IKKLVXUANSZSTK-AWEZNQCLSA-N -1 0 378.812 2.630 50 0 GFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Br ZINC000013358508 205886759 /nfs/dbraw/zinc/88/67/59/205886759.db2.gz HIYPWEPCPRBUSD-UHFFFAOYSA-N -1 0 386.223 2.957 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC000120743161 206194674 /nfs/dbraw/zinc/19/46/74/206194674.db2.gz APLCRQFSDMRNGI-CZUORRHYSA-N -1 0 384.432 2.854 50 0 GFAARM O=C([O-])c1c(F)c(Br)nc(I)c1Cl ZINC000095611714 206217917 /nfs/dbraw/zinc/21/79/17/206217917.db2.gz HLTSIDIDXAFDCO-UHFFFAOYSA-N -1 0 380.338 2.939 50 0 GFAARM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(c2ncnc3c2CCC3)CC1 ZINC000072409204 136169610 /nfs/dbraw/zinc/16/96/10/136169610.db2.gz STQLZQATRLQYFB-UHFFFAOYSA-N -1 0 379.420 2.502 50 0 GFAARM O=C([O-])c1ccnc(-c2ccnc(N3CCC[C@H](C(=O)c4cccnc4)C3)n2)c1 ZINC000072423401 136169901 /nfs/dbraw/zinc/16/99/01/136169901.db2.gz HKMNQBTVPOGXPW-INIZCTEOSA-N -1 0 389.415 2.731 50 0 GFAARM Cc1cccc([C@H](C)Nc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)n1 ZINC000096141937 136184345 /nfs/dbraw/zinc/18/43/45/136184345.db2.gz NIOHMJIYRCCZRR-AWEZNQCLSA-N -1 0 385.468 2.552 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1OCCc2ccccc21 ZINC000238210381 527647532 /nfs/dbraw/zinc/64/75/32/527647532.db2.gz SRZVEVGRLPUBAK-MOPGFXCFSA-N -1 0 382.391 2.733 50 0 GFAARM CC1(C)[C@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC[C@@]1(C)C(=O)[O-] ZINC000096118986 527852820 /nfs/dbraw/zinc/85/28/20/527852820.db2.gz HFUAESWMTIGHCA-UWJYYQICSA-N -1 0 376.472 2.997 50 0 GFAARM CC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000000939611 551091412 /nfs/dbraw/zinc/09/14/12/551091412.db2.gz VZCJBBLUDCCECI-JTQLQIEISA-N -1 0 384.672 2.504 50 0 GFAARM Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)[O-])c12 ZINC000026421281 551121232 /nfs/dbraw/zinc/12/12/32/551121232.db2.gz PSBLLYMGWMMBQB-SNVBAGLBSA-N -1 0 377.447 2.526 50 0 GFAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cn1C ZINC000031668805 551130246 /nfs/dbraw/zinc/13/02/46/551130246.db2.gz HYNXDIUGTBWLNZ-UHFFFAOYSA-N -1 0 375.422 2.500 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000236586855 570245374 /nfs/dbraw/zinc/24/53/74/570245374.db2.gz SGPVXEUUHMPDTF-NHCUHLMSSA-N -1 0 392.455 2.561 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)cc1 ZINC000001136991 570247347 /nfs/dbraw/zinc/24/73/47/570247347.db2.gz CZBFDAWEOHQCTH-UHFFFAOYSA-N -1 0 375.450 2.584 50 0 GFAARM COc1ccc(CCNC(=O)c2csc([N-]c3ncccn3)n2)cc1OC ZINC000049032187 570261230 /nfs/dbraw/zinc/26/12/30/570261230.db2.gz DJSNVOPPTCYLFL-UHFFFAOYSA-N -1 0 385.449 2.666 50 0 GFAARM O=C1c2ccccc2N[C@@H](c2ccccn2)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001421362 570262498 /nfs/dbraw/zinc/26/24/98/570262498.db2.gz NQMNTDNUBVEXTO-GOSISDBHSA-N -1 0 380.429 2.542 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1Cl ZINC000100036732 570265415 /nfs/dbraw/zinc/26/54/15/570265415.db2.gz OJUPUFGIEMIFIK-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM Cc1ccc(CNC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)o1 ZINC000015826823 570267976 /nfs/dbraw/zinc/26/79/76/570267976.db2.gz NUCYGSODQAUIQP-LBPRGKRZSA-N -1 0 375.450 2.643 50 0 GFAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002146570 570276146 /nfs/dbraw/zinc/27/61/46/570276146.db2.gz GSCKMYUEKWTRFP-SFHVURJKSA-N -1 0 375.421 2.658 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2s1 ZINC000015861960 570278533 /nfs/dbraw/zinc/27/85/33/570278533.db2.gz JAKBNSASPLHWFQ-UHFFFAOYSA-N -1 0 391.430 2.649 50 0 GFAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1I)C(=O)[O-] ZINC000002385541 570285424 /nfs/dbraw/zinc/28/54/24/570285424.db2.gz CAPUJMUOMAUNOD-LLVKDONJSA-N -1 0 391.205 2.812 50 0 GFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccn(Cc3ccccc3F)n2)c1 ZINC000014230031 570302630 /nfs/dbraw/zinc/30/26/30/570302630.db2.gz DWQCPGZOGLGACS-UHFFFAOYSA-N -1 0 391.424 2.889 50 0 GFAARM Cc1ccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)cc1Cl ZINC000034767840 570333480 /nfs/dbraw/zinc/33/34/80/570333480.db2.gz AJXYIWKRRXHYTO-UHFFFAOYSA-N -1 0 383.839 2.850 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N(C)C[C@H]3CCOC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237241171 570340968 /nfs/dbraw/zinc/34/09/68/570340968.db2.gz YQBFVXYRMJBGKG-MRXNPFEDSA-N -1 0 385.464 2.615 50 0 GFAARM COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205961634 570345986 /nfs/dbraw/zinc/34/59/86/570345986.db2.gz SOFZZLPLJSUYGA-OAHLLOKOSA-N -1 0 375.384 2.643 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)c(Br)o1 ZINC000115753080 570376759 /nfs/dbraw/zinc/37/67/59/570376759.db2.gz KSUZZVWBRITFSP-BDAKNGLRSA-N -1 0 378.244 2.694 50 0 GFAARM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237681131 570389710 /nfs/dbraw/zinc/38/97/10/570389710.db2.gz QOKADHJYWLERPZ-JTQLQIEISA-N -1 0 382.775 2.758 50 0 GFAARM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237732240 570393072 /nfs/dbraw/zinc/39/30/72/570393072.db2.gz MPJFBAQFOXWSBG-LJQANCHMSA-N -1 0 380.444 2.543 50 0 GFAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)ccc1-n1cncn1 ZINC000237846746 570406314 /nfs/dbraw/zinc/40/63/14/570406314.db2.gz PJXIWUMXVQSQOI-UHFFFAOYSA-N -1 0 390.443 2.834 50 0 GFAARM CCN1c2ccc(S(=O)(=O)NCCCCCC(=O)[O-])c3cccc(c23)C1=O ZINC000001926194 570450127 /nfs/dbraw/zinc/45/01/27/570450127.db2.gz CAUMGJXDPPNDPK-UHFFFAOYSA-N -1 0 390.461 2.743 50 0 GFAARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3C[C@@H]3c3cccnc3)cc(Cl)c2O1 ZINC000127367726 570457678 /nfs/dbraw/zinc/45/76/78/570457678.db2.gz ZGEQMSSRRRYPOO-VCTAVGKDSA-N -1 0 392.864 2.667 50 0 GFAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000119069445 570520595 /nfs/dbraw/zinc/52/05/95/570520595.db2.gz KYNNBVOIZNWBDK-UHFFFAOYSA-N -1 0 388.370 2.967 50 0 GFAARM COc1cc(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000261818634 570557953 /nfs/dbraw/zinc/55/79/53/570557953.db2.gz NGBABIDVQKOPSX-ZDUSSCGKSA-N -1 0 389.370 2.892 50 0 GFAARM Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(C(=O)[O-])cc2)C3)cc1 ZINC000012447672 570667332 /nfs/dbraw/zinc/66/73/32/570667332.db2.gz FNZVOTXOZOUUHB-GOSISDBHSA-N -1 0 377.400 2.690 50 0 GFAARM CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC000013073224 570745065 /nfs/dbraw/zinc/74/50/65/570745065.db2.gz HTBILOFQKIBBNA-GOSISDBHSA-N -1 0 376.478 2.528 50 0 GFAARM Cc1ccccc1-c1noc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000013240535 570751576 /nfs/dbraw/zinc/75/15/76/570751576.db2.gz PEFYIDQAUVRSNB-INIZCTEOSA-N -1 0 380.404 2.540 50 0 GFAARM Cc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2)[nH]c(=O)c1Cc1ccccc1 ZINC000013407909 570754431 /nfs/dbraw/zinc/75/44/31/570754431.db2.gz DMHJAGGWJKJHDB-UHFFFAOYSA-N -1 0 398.444 2.592 50 0 GFAARM C[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000013468250 570755632 /nfs/dbraw/zinc/75/56/32/570755632.db2.gz FBCCBTGBPOTPSX-VFNWGFHPSA-N -1 0 378.432 2.877 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(C[C@H]3COc4ccccc4O3)c2)s1 ZINC000206847013 570756003 /nfs/dbraw/zinc/75/60/03/570756003.db2.gz RVUDAKLCRIXJLI-AWEZNQCLSA-N -1 0 391.474 2.894 50 0 GFAARM Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)[O-])C2 ZINC000170044537 570792747 /nfs/dbraw/zinc/79/27/47/570792747.db2.gz XBPXMDYPJVIXSF-UYAOXDASSA-N -1 0 378.428 2.900 50 0 GFAARM CCOC(=O)c1c[nH]c(=O)c([C@@H](CC(=O)[O-])c2c(F)cccc2Cl)c1O ZINC000218203539 570816411 /nfs/dbraw/zinc/81/64/11/570816411.db2.gz LXZNQIBYJUDPSA-QMMMGPOBSA-N -1 0 383.759 2.656 50 0 GFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CCc4ccc(OC)cc4)c=3c2=O)cc1 ZINC000101418443 570822671 /nfs/dbraw/zinc/82/26/71/570822671.db2.gz DCCASTXPYFBYFK-OALUTQOASA-N -1 0 378.432 2.794 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cccc(SC)c4)c(=O)c2=3)c1 ZINC000101277753 570900685 /nfs/dbraw/zinc/90/06/85/570900685.db2.gz XLAXDXANAMJCNV-DLBZAZTESA-N -1 0 398.444 2.924 50 0 GFAARM CCc1c([O-])nc(SCC(=O)Nc2cc(C)on2)n(-c2ccccc2)c1=O ZINC000015919276 570908419 /nfs/dbraw/zinc/90/84/19/570908419.db2.gz RAEAPKBLZBIDGH-UHFFFAOYSA-N -1 0 386.433 2.528 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1 ZINC000023126627 570909910 /nfs/dbraw/zinc/90/99/10/570909910.db2.gz SPRBHJYLYALAMD-RTBURBONSA-N -1 0 392.415 2.690 50 0 GFAARM Cc1ccc([C@H]2NC(=O)N[C@H](c3ccc(C)cc3)C23C(=O)[N-]C(=O)NC3=O)cc1 ZINC000017086901 570941769 /nfs/dbraw/zinc/94/17/69/570941769.db2.gz LLJSRJURUFTWMF-HZPDHXFCSA-N -1 0 392.415 2.591 50 0 GFAARM CCCC[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002106797 570948671 /nfs/dbraw/zinc/94/86/71/570948671.db2.gz USWXBQDIDZVWOE-QGZVFWFLSA-N -1 0 387.432 2.810 50 0 GFAARM O=C(CSc1n[nH]c(=O)[n-]c1=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000001282710 570954047 /nfs/dbraw/zinc/95/40/47/570954047.db2.gz OBLXWLDXWLTJCF-UHFFFAOYSA-N -1 0 381.628 2.562 50 0 GFAARM COc1cc(C)cc2oc(=O)c(CC(=O)NCCCCCC(=O)[O-])c(C)c12 ZINC000002120797 570955988 /nfs/dbraw/zinc/95/59/88/570955988.db2.gz JQVGVFYRZAKSEK-UHFFFAOYSA-N -1 0 375.421 2.722 50 0 GFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)c1 ZINC000095354802 571051670 /nfs/dbraw/zinc/05/16/70/571051670.db2.gz ZMBZEOXBKRBYTD-KRWDZBQOSA-N -1 0 380.444 2.972 50 0 GFAARM CCOCCn1nc(C)cc1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095366549 571058892 /nfs/dbraw/zinc/05/88/92/571058892.db2.gz XUDCWYFRIISNQK-GOSISDBHSA-N -1 0 385.464 2.946 50 0 GFAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3ccc4c(c3)ncn4CCO)C2)cc1 ZINC000095372149 571061914 /nfs/dbraw/zinc/06/19/14/571061914.db2.gz CZJJYQFTLYOKEL-SFHVURJKSA-N -1 0 393.443 2.747 50 0 GFAARM Cc1ccccc1-c1ccccc1C(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC000095386974 571070811 /nfs/dbraw/zinc/07/08/11/571070811.db2.gz UYBADMCYUHFHRT-IBGZPJMESA-N -1 0 392.455 2.858 50 0 GFAARM Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c2)n1 ZINC000095424045 599860433 /nfs/dbraw/zinc/86/04/33/599860433.db2.gz VLDGLHJDGRUYNH-HXUWFJFHSA-N -1 0 377.444 2.974 50 0 GFAARM CS(=O)(=O)c1cc(NC(=O)c2ccccc2OCC2CC2)cc(C(=O)[O-])c1 ZINC000095425589 602254042 /nfs/dbraw/zinc/25/40/42/602254042.db2.gz KLCAISGPCIRIKI-UHFFFAOYSA-N -1 0 389.429 2.829 50 0 GFAARM CCOP(=O)(CN(CC(=O)[O-])CP(=O)(OCC)OCC)OCC ZINC000004948709 654445498 /nfs/dbraw/zinc/44/54/98/654445498.db2.gz WFNGQLJDQRSKRW-UHFFFAOYSA-N -1 0 375.295 2.820 50 0 GFAARM Cn1cc(CCC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)cn1 ZINC000426465513 231223318 /nfs/dbraw/zinc/22/33/18/231223318.db2.gz VMYZAKXOANHEON-IPJJNNNSSA-N -1 0 381.476 2.850 50 0 GFAARM COC(=O)c1sc2ncccc2c1NC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000004054699 204025318 /nfs/dbraw/zinc/02/53/18/204025318.db2.gz LICDYUVPDXBRCC-UHFFFAOYSA-N -1 0 391.430 2.593 50 0 GFAARM CN1C(=O)N[C@H](c2cccnc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000004140269 204029425 /nfs/dbraw/zinc/02/94/25/204029425.db2.gz FOMXGRXQNHKVHM-ZOWXZIJZSA-N -1 0 385.367 2.589 50 0 GFAARM CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O ZINC000004699446 204065642 /nfs/dbraw/zinc/06/56/42/204065642.db2.gz OXLLYCNJLGIODR-MHWRWJLKSA-N -1 0 396.399 2.885 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2n[nH]nc2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000004497834 204048648 /nfs/dbraw/zinc/04/86/48/204048648.db2.gz WITFFIFLNAEJMI-UHFFFAOYSA-N -1 0 385.449 2.783 50 0 GFAARM COc1ccc(OC)c(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)c1 ZINC000004538544 204050834 /nfs/dbraw/zinc/05/08/34/204050834.db2.gz FNDNZUCZCNTWLQ-MRXNPFEDSA-N -1 0 387.413 2.826 50 0 GFAARM O=C([O-])[C@@H]1CC(=O)N(c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000004573404 204054916 /nfs/dbraw/zinc/05/49/16/204054916.db2.gz VTEBNADQXPDJHA-GFCCVEGCSA-N -1 0 388.807 2.795 50 0 GFAARM COc1ccc(C[C@H](C(=O)Nc2ccc(C)c(C)c2)c2nnn[n-]2)c(OC)c1 ZINC000004676405 204063636 /nfs/dbraw/zinc/06/36/36/204063636.db2.gz FSGJGILTUHYWMY-KRWDZBQOSA-N -1 0 381.436 2.799 50 0 GFAARM O=C([O-])c1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000005928784 204157170 /nfs/dbraw/zinc/15/71/70/204157170.db2.gz GZEDYOMCLIIYMQ-UHFFFAOYSA-N -1 0 381.413 2.866 50 0 GFAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000006726489 204195640 /nfs/dbraw/zinc/19/56/40/204195640.db2.gz NXXBTQPXCGPQEY-AZCNDBBASA-N -1 0 382.504 2.981 50 0 GFAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)c(C)c1 ZINC000006767791 204201902 /nfs/dbraw/zinc/20/19/02/204201902.db2.gz NTTKQQQIWGAXCY-UHFFFAOYSA-N -1 0 388.489 2.885 50 0 GFAARM Cc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(=O)n(-c2ccccc2)n1C ZINC000007052120 204231260 /nfs/dbraw/zinc/23/12/60/204231260.db2.gz FYHCRCCSONUBAT-UHFFFAOYSA-N -1 0 397.378 2.703 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1 ZINC000008052993 204260695 /nfs/dbraw/zinc/26/06/95/204260695.db2.gz BOGBTBXRNOHSSK-UHFFFAOYSA-N -1 0 391.840 2.680 50 0 GFAARM CCC1C(=O)N=C(SCC(=O)Nc2nc3ccc(C)cc3s2)N=C1[O-] ZINC000009191412 204302102 /nfs/dbraw/zinc/30/21/02/204302102.db2.gz JBRCWKICTHBJLJ-UHFFFAOYSA-N -1 0 376.463 2.687 50 0 GFAARM CCc1ccc(NC(=O)[C@H](Cc2cc(OC)ccc2OC)c2nnn[n-]2)cc1 ZINC000009434901 204310781 /nfs/dbraw/zinc/31/07/81/204310781.db2.gz KKZFAFAFGBIRRV-QGZVFWFLSA-N -1 0 381.436 2.744 50 0 GFAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866781 204359657 /nfs/dbraw/zinc/35/96/57/204359657.db2.gz QRDQSTNEKCZZRI-ZMZPIMSZSA-N -1 0 375.421 2.658 50 0 GFAARM COCc1nn2c(ncc3c(=O)n([C@@H](C)C(=O)[O-])ccc32)c1-c1ccc(F)cc1 ZINC000040397136 205063592 /nfs/dbraw/zinc/06/35/92/205063592.db2.gz ALHOVPJGLQAKND-NSHDSACASA-N -1 0 396.378 2.642 50 0 GFAARM Cc1nn2c(nnc3c(=O)n(CCC(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040396005 205063655 /nfs/dbraw/zinc/06/36/55/205063655.db2.gz BIMIHUNPJOGGFY-UHFFFAOYSA-N -1 0 383.795 2.543 50 0 GFAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1ccc3c(c1)CCO3)CC2 ZINC000299744755 205098868 /nfs/dbraw/zinc/09/88/68/205098868.db2.gz PRXUZQQUIPTRKT-KRWDZBQOSA-N -1 0 397.427 2.853 50 0 GFAARM O=C([O-])COc1cccc(CNC(=O)c2ccccc2OC[C@@H]2CCCO2)c1 ZINC000299741730 205098068 /nfs/dbraw/zinc/09/80/68/205098068.db2.gz AJJUADILXJDUGU-KRWDZBQOSA-N -1 0 385.416 2.638 50 0 GFAARM Cc1oc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000299750889 205105477 /nfs/dbraw/zinc/10/54/77/205105477.db2.gz OQHBMPZHQUWRRZ-NVXWUHKLSA-N -1 0 390.823 2.775 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1cccs1 ZINC000299749513 205103518 /nfs/dbraw/zinc/10/35/18/205103518.db2.gz KNWVDFPHPKBNAC-GFCCVEGCSA-N -1 0 393.852 2.877 50 0 GFAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2ccc3c(ccn3CC(=O)N(C)C)c2)c1 ZINC000050533302 205131157 /nfs/dbraw/zinc/13/11/57/205131157.db2.gz SQAGSOVGRULHEK-UHFFFAOYSA-N -1 0 387.461 2.544 50 0 GFAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(=O)OC ZINC000059842273 205179514 /nfs/dbraw/zinc/17/95/14/205179514.db2.gz MLWAVAWHNCDDPD-UHFFFAOYSA-N -1 0 389.838 2.776 50 0 GFAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(C)n1C ZINC000064922928 205200407 /nfs/dbraw/zinc/20/04/07/205200407.db2.gz CKDLOWPQDMDNFX-UHFFFAOYSA-N -1 0 376.356 2.940 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)n(C)c1C ZINC000064922310 205200699 /nfs/dbraw/zinc/20/06/99/205200699.db2.gz CTVYFUVFCJBUAI-UHFFFAOYSA-N -1 0 391.493 2.769 50 0 GFAARM CCCOc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000065479427 205235787 /nfs/dbraw/zinc/23/57/87/205235787.db2.gz DBBXONSQGYCBKG-UHFFFAOYSA-N -1 0 399.266 2.752 50 0 GFAARM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1C ZINC000065517937 205235871 /nfs/dbraw/zinc/23/58/71/205235871.db2.gz POEFODJYPJMHLJ-UHFFFAOYSA-N -1 0 386.429 2.896 50 0 GFAARM Cc1nccc(-c2ccccc2)c1C(=O)N1CCc2c(c(C(=O)[O-])nn2C)C1 ZINC000067691344 205253815 /nfs/dbraw/zinc/25/38/15/205253815.db2.gz GUKWJOMWTIFSTB-UHFFFAOYSA-N -1 0 376.416 2.687 50 0 GFAARM O=C([O-])[C@@H](NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccccc1 ZINC000071335317 205284154 /nfs/dbraw/zinc/28/41/54/205284154.db2.gz MISCWZKSLHWPOJ-IBGZPJMESA-N -1 0 397.818 2.506 50 0 GFAARM Cn1c2ccccc2nc1-c1ccc(CN2CCc3nc[nH]c3[C@@H]2C(=O)[O-])o1 ZINC000072458304 205353115 /nfs/dbraw/zinc/35/31/15/205353115.db2.gz UHTCBAGHIKXXCE-GOSISDBHSA-N -1 0 377.404 2.740 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)C(C)(C)C)CC3)no1 ZINC000077376910 205360649 /nfs/dbraw/zinc/36/06/49/205360649.db2.gz HXBUIENLPRUQFN-UHFFFAOYSA-N -1 0 377.466 2.715 50 0 GFAARM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)[C@@H]1CCCO1 ZINC000078597033 205375582 /nfs/dbraw/zinc/37/55/82/205375582.db2.gz YBQFZZMUBCLJQN-NHYWBVRUSA-N -1 0 396.490 2.552 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000100889761 205612962 /nfs/dbraw/zinc/61/29/62/205612962.db2.gz FQJXTMSMRXNBOF-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000236828542 205599403 /nfs/dbraw/zinc/59/94/03/205599403.db2.gz OHVSZIBBSYUBAX-NHCUHLMSSA-N -1 0 390.439 2.989 50 0 GFAARM Cc1cccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)c1 ZINC000004853608 205753587 /nfs/dbraw/zinc/75/35/87/205753587.db2.gz KIUOMSZUOMDXDL-UHFFFAOYSA-N -1 0 379.438 2.976 50 0 GFAARM CC(=O)c1ccc(N2CCN([C@H](C(=O)[O-])c3cccc4c3OCC4)CC2)cc1 ZINC000095374887 136178588 /nfs/dbraw/zinc/17/85/88/136178588.db2.gz NGHPUMOMNHCRJI-FQEVSTJZSA-N -1 0 380.444 2.772 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1 ZINC000064565330 222073906 /nfs/dbraw/zinc/07/39/06/222073906.db2.gz JBWYQKZEZIRFQB-IAGOWNOFSA-N -1 0 388.387 2.538 50 0 GFAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000262532176 526318485 /nfs/dbraw/zinc/31/84/85/526318485.db2.gz IPNYQLWGAVICDL-GOSISDBHSA-N -1 0 387.457 2.740 50 0 GFAARM CCO[C@H](C)c1nc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cs1 ZINC000123830053 551308530 /nfs/dbraw/zinc/30/85/30/551308530.db2.gz ARMYHWWHJZLUOQ-LLVKDONJSA-N -1 0 380.491 2.848 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@@H]1SCCc2ccccc21 ZINC000132741340 551378082 /nfs/dbraw/zinc/37/80/82/551378082.db2.gz DYCFUVLZSDFSGY-MRXNPFEDSA-N -1 0 383.441 2.941 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1csc([C@H]2CCCO2)n1 ZINC000165279954 551629129 /nfs/dbraw/zinc/62/91/29/551629129.db2.gz DUQLKTNOPQWYJA-OAHLLOKOSA-N -1 0 378.475 2.602 50 0 GFAARM O=C([O-])CC[C@@]1(CCC(=O)NCc2cc(Cl)ccc2Cl)CCC(=O)N1 ZINC000219243410 553054409 /nfs/dbraw/zinc/05/44/09/553054409.db2.gz XJAXVHLGQRAIGD-QGZVFWFLSA-N -1 0 387.263 2.903 50 0 GFAARM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])nn1-c1ccc(Br)cc1 ZINC000237696399 553080425 /nfs/dbraw/zinc/08/04/25/553080425.db2.gz OLBHAQLTVDJTRD-AWEZNQCLSA-N -1 0 378.226 2.632 50 0 GFAARM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)cnn1-c1ccc(Br)cc1 ZINC000237726513 553081183 /nfs/dbraw/zinc/08/11/83/553081183.db2.gz KWVPMSCIRQAFRG-UHFFFAOYSA-N -1 0 378.226 2.632 50 0 GFAARM CC1(C)CN(C(=O)c2cnc(C(=O)[O-])cn2)c2cc(Br)ccc21 ZINC000659198673 565205618 /nfs/dbraw/zinc/20/56/18/565205618.db2.gz HOEAWTZRGCSFCY-UHFFFAOYSA-N -1 0 376.210 2.875 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1c1ccc(Br)cc1 ZINC000630196077 565886521 /nfs/dbraw/zinc/88/65/21/565886521.db2.gz XPJUYOQNVJFKFU-JKSUJKDBSA-N -1 0 389.249 2.713 50 0 GFAARM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccn(-c4ccccc4)n3)ccc21 ZINC000001164117 570252375 /nfs/dbraw/zinc/25/23/75/570252375.db2.gz LPTRRFNVJOZHMV-UHFFFAOYSA-N -1 0 382.445 2.582 50 0 GFAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000236828570 570262911 /nfs/dbraw/zinc/26/29/11/570262911.db2.gz OHVSZIBBSYUBAX-RTWAWAEBSA-N -1 0 390.439 2.989 50 0 GFAARM CC[C@H](NC(=O)c1cc(C)[nH]c2nc(=O)[n-]c(=O)c1-2)C12CC3CC(CC(C3)C1)C2 ZINC000020607262 570271303 /nfs/dbraw/zinc/27/13/03/570271303.db2.gz YHDKKOZGXYWBNS-UTQJESMHSA-N -1 0 396.491 2.645 50 0 GFAARM CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000000752166 570314315 /nfs/dbraw/zinc/31/43/15/570314315.db2.gz KXMLCHRGGMWPKL-UHFFFAOYSA-N -1 0 376.434 2.668 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1Cl ZINC000035378094 570346460 /nfs/dbraw/zinc/34/64/60/570346460.db2.gz YHHSTLXUNLETSR-UHFFFAOYSA-N -1 0 391.836 2.900 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Oc1ccccc1 ZINC000006241437 570377343 /nfs/dbraw/zinc/37/73/43/570377343.db2.gz CKPUJIVAHYMOGN-UHFFFAOYSA-N -1 0 397.836 2.851 50 0 GFAARM COc1cc2cc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)[nH]c2c(OC)c1OC ZINC000035686333 570417820 /nfs/dbraw/zinc/41/78/20/570417820.db2.gz ZEOGSPDUAUVMRW-INIZCTEOSA-N -1 0 384.388 2.749 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000238025982 570420857 /nfs/dbraw/zinc/42/08/57/570420857.db2.gz XGYOKSGNVWCOIR-VQIMIIECSA-N -1 0 378.428 2.616 50 0 GFAARM O=C([O-])CCN(C(=O)c1ccn(-c2ccccc2Cl)n1)C1CCOCC1 ZINC000238079605 570423060 /nfs/dbraw/zinc/42/30/60/570423060.db2.gz MRQRQFZNWWSGDB-UHFFFAOYSA-N -1 0 377.828 2.622 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)CCO1 ZINC000238143387 570428286 /nfs/dbraw/zinc/42/82/86/570428286.db2.gz VUAQYFZQKCMZPZ-LJQANCHMSA-N -1 0 382.391 2.754 50 0 GFAARM COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CC2 ZINC000268880522 570432813 /nfs/dbraw/zinc/43/28/13/570432813.db2.gz DEFHSJCLNQXTIX-HBUWYVDXSA-N -1 0 387.457 2.960 50 0 GFAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccnc2)c1 ZINC000133959687 570468736 /nfs/dbraw/zinc/46/87/36/570468736.db2.gz MRRBWDZMAUFKGK-ZIAGYGMSSA-N -1 0 378.837 2.546 50 0 GFAARM COc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)cc(OC)c1Br ZINC000268943929 570488281 /nfs/dbraw/zinc/48/82/81/570488281.db2.gz UKBYUORHJIGFSS-UHFFFAOYSA-N -1 0 386.242 2.840 50 0 GFAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1O ZINC000002701379 570505586 /nfs/dbraw/zinc/50/55/86/570505586.db2.gz SGJKDCKJVCKCBV-UHFFFAOYSA-N -1 0 384.369 2.610 50 0 GFAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)[O-])OC1(CCCCC1)CC3 ZINC000006624165 570508163 /nfs/dbraw/zinc/50/81/63/570508163.db2.gz BTTNSQRWSRVNIM-UHFFFAOYSA-N -1 0 399.443 2.873 50 0 GFAARM Cc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)/C=C\C(=O)[O-])CC2)cc1 ZINC000033330703 570525289 /nfs/dbraw/zinc/52/52/89/570525289.db2.gz RYPFIQYMRCTAJV-KHPPLWFESA-N -1 0 393.443 2.537 50 0 GFAARM C[C@@H](C(=O)[O-])C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000034927255 570548275 /nfs/dbraw/zinc/54/82/75/570548275.db2.gz KRPGETIDKNWVIE-MRVPVSSYSA-N -1 0 382.301 2.632 50 0 GFAARM O=C([O-])CN1C(=O)/C(=C/c2ccc(Br)cc2F)SC1=S ZINC000069981161 570703238 /nfs/dbraw/zinc/70/32/38/570703238.db2.gz NWPHAWCVQADSIZ-OQFOIZHKSA-N -1 0 376.228 2.874 50 0 GFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3O)cc2)n1 ZINC000000947984 570734653 /nfs/dbraw/zinc/73/46/53/570734653.db2.gz GBTFLXNNSRLSAA-UHFFFAOYSA-N -1 0 398.444 2.852 50 0 GFAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000170002862 570785511 /nfs/dbraw/zinc/78/55/11/570785511.db2.gz JCTZNKLXPAFATB-VNHYZAJKSA-N -1 0 376.840 2.619 50 0 GFAARM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1F ZINC000005881841 570801050 /nfs/dbraw/zinc/80/10/50/570801050.db2.gz LCTMTSUNEHNLSV-UHFFFAOYSA-N -1 0 398.481 2.801 50 0 GFAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)NCCC1=CCCCC1 ZINC000004486718 570806929 /nfs/dbraw/zinc/80/69/29/570806929.db2.gz ZFWNEANSIPKBCU-CQSZACIVSA-N -1 0 394.493 2.610 50 0 GFAARM CCOC(=O)c1c[nH]c(=O)c([C@H](CC(=O)[O-])c2c(F)cccc2Cl)c1O ZINC000218203455 570816597 /nfs/dbraw/zinc/81/65/97/570816597.db2.gz LXZNQIBYJUDPSA-MRVPVSSYSA-N -1 0 383.759 2.656 50 0 GFAARM CCCc1cc(=O)n2[n-]cc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2n1 ZINC000101275736 570818426 /nfs/dbraw/zinc/81/84/26/570818426.db2.gz XLDDQZUCKSDZLQ-UHFFFAOYSA-N -1 0 378.354 2.924 50 0 GFAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC[C@H]3CCCO3)cc2[n-]c1=S ZINC000102043483 570839611 /nfs/dbraw/zinc/83/96/11/570839611.db2.gz KVFUDCGVNDOCDO-TZMCWYRMSA-N -1 0 375.494 2.783 50 0 GFAARM O=C(Nc1ccc(OCc2cc(=O)n3nc[n-]c3n2)cc1)c1ccc(Cl)cc1 ZINC000102621527 570854369 /nfs/dbraw/zinc/85/43/69/570854369.db2.gz WVRXTZMGTPKOBE-UHFFFAOYSA-N -1 0 395.806 2.902 50 0 GFAARM Cc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1CCC2 ZINC000017079292 570940354 /nfs/dbraw/zinc/94/03/54/570940354.db2.gz HAEPMCWFHWAGSG-UHFFFAOYSA-N -1 0 388.445 2.837 50 0 GFAARM O=C([O-])CCCCCNC(=O)/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1 ZINC000002099711 570941640 /nfs/dbraw/zinc/94/16/40/570941640.db2.gz FBNKGCXFQVJKRJ-XDJHFCHBSA-N -1 0 396.443 2.924 50 0 GFAARM O=C(C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1)OCn1nnc2ccccc21 ZINC000020509325 570951724 /nfs/dbraw/zinc/95/17/24/570951724.db2.gz FEYLPYDGAJKJKM-AWEZNQCLSA-N -1 0 392.337 2.742 50 0 GFAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)ccc1Br ZINC000047328502 570953606 /nfs/dbraw/zinc/95/36/06/570953606.db2.gz JOBUILCORUYXRZ-UHFFFAOYSA-N -1 0 394.254 2.534 50 0 GFAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)[O-] ZINC000002123445 570956758 /nfs/dbraw/zinc/95/67/58/570956758.db2.gz WUDYMSJPWFSKPP-CYBMUJFWSA-N -1 0 381.812 2.675 50 0 GFAARM CC1=Nc2nnnn2[C@@H](c2ccc(C(=O)[O-])cc2)C1C(=O)OC1CCCCC1 ZINC000045896125 570968120 /nfs/dbraw/zinc/96/81/20/570968120.db2.gz BOBUDTIDDSVJRQ-INIZCTEOSA-N -1 0 383.408 2.536 50 0 GFAARM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[O-])cc2)cc1OC ZINC000004582958 570973566 /nfs/dbraw/zinc/97/35/66/570973566.db2.gz XRHPLKOMUASBRW-UHFFFAOYSA-N -1 0 379.434 2.912 50 0 GFAARM CS(=O)(=O)c1ccc(CN2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)cc1 ZINC000091547556 571013864 /nfs/dbraw/zinc/01/38/64/571013864.db2.gz ABDKLPKDCIVXKB-ZWKOTPCHSA-N -1 0 377.437 2.529 50 0 GFAARM COc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(F)cc2F)C[C@H]1C(=O)[O-] ZINC000091745557 571029018 /nfs/dbraw/zinc/02/90/18/571029018.db2.gz JSWPHCUULDXWOC-JKSUJKDBSA-N -1 0 375.371 2.843 50 0 GFAARM COc1cccc([C@@H]2CN(C(=O)CCC(F)(F)F)C[C@H]2C(=O)[O-])c1OC ZINC000091754613 571029293 /nfs/dbraw/zinc/02/92/93/571029293.db2.gz OTJLCAWZKXHDLU-NWDGAFQWSA-N -1 0 375.343 2.673 50 0 GFAARM Cc1cccc(-c2nnc(SCc3ccc(C(N)=O)cc3)n2CC(=O)[O-])c1 ZINC000012779051 571031914 /nfs/dbraw/zinc/03/19/14/571031914.db2.gz HTQXJNWQARIZKN-UHFFFAOYSA-N -1 0 382.445 2.729 50 0 GFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)Cn3ncc4ccccc4c3=O)C2)c1 ZINC000095361941 571056104 /nfs/dbraw/zinc/05/61/04/571056104.db2.gz ULBUKCIJFZKNGM-GOSISDBHSA-N -1 0 391.427 2.501 50 0 GFAARM CCCn1nccc1S(=O)(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095368002 571059484 /nfs/dbraw/zinc/05/94/84/571059484.db2.gz JBTPEVWUEZMMOR-INIZCTEOSA-N -1 0 377.466 2.560 50 0 GFAARM Cc1cc(C)n(Cc2ccc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)cc2)n1 ZINC000237659731 600488474 /nfs/dbraw/zinc/48/84/74/600488474.db2.gz HFOLNDGPMNKHFH-IBGZPJMESA-N -1 0 385.464 2.644 50 0 GFAARM CCOC(=O)c1c([N-]S(=O)(=O)c2cn(C)nc2C)sc2c1CCCC2 ZINC000002804112 654438623 /nfs/dbraw/zinc/43/86/23/654438623.db2.gz SXRKFANRMGZPLA-UHFFFAOYSA-N -1 0 383.495 2.646 50 0 GFAARM O=C([O-])CCN(C(=O)COc1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000408513270 231048421 /nfs/dbraw/zinc/04/84/21/231048421.db2.gz JOOBNMXJIGPRSB-UHFFFAOYSA-N -1 0 375.343 2.567 50 0 GFAARM O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000000823264 203857293 /nfs/dbraw/zinc/85/72/93/203857293.db2.gz XZKWRAWHRSVFOK-UHFFFAOYSA-N -1 0 388.445 2.812 50 0 GFAARM CCCCn1c2ccc(S(=O)(=O)N3CCCC3)cc2nc1CCC(=O)[O-] ZINC000003399076 204003651 /nfs/dbraw/zinc/00/36/51/204003651.db2.gz LYDUBWIJJGBWQR-UHFFFAOYSA-N -1 0 379.482 2.638 50 0 GFAARM O=C([O-])Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000003641993 204016682 /nfs/dbraw/zinc/01/66/82/204016682.db2.gz DGMYVPYSAYEVFE-YBEGLDIGSA-N -1 0 377.425 2.988 50 0 GFAARM Cc1nc(-n2[n-]c(-c3ccccc3)cc2=O)[nH]c(=O)c1Cc1ccc(F)cc1 ZINC000004002754 204022192 /nfs/dbraw/zinc/02/21/92/204022192.db2.gz UVBYPSJJKCCCGJ-UHFFFAOYSA-N -1 0 376.391 2.954 50 0 GFAARM CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000004025831 204024333 /nfs/dbraw/zinc/02/43/33/204024333.db2.gz QUYWHDBFNWGGHF-NRFANRHFSA-N -1 0 395.411 2.985 50 0 GFAARM O=C([O-])[C@H](CCCCNC(=S)NCc1ccccc1)NC(=O)c1ccccc1 ZINC000004724926 204069828 /nfs/dbraw/zinc/06/98/28/204069828.db2.gz VHWLHWFSDVVBGZ-SFHVURJKSA-N -1 0 399.516 2.704 50 0 GFAARM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1NC(C)=O ZINC000004742206 204071627 /nfs/dbraw/zinc/07/16/27/204071627.db2.gz JIMNTJAAOMTJHG-UHFFFAOYSA-N -1 0 394.449 2.862 50 0 GFAARM CC(C)c1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000004742777 204072157 /nfs/dbraw/zinc/07/21/57/204072157.db2.gz MUBGUUXDHCFYLH-DNVCBOLYSA-N -1 0 382.460 2.740 50 0 GFAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000004760113 204074361 /nfs/dbraw/zinc/07/43/61/204074361.db2.gz SLQMUASKUOLVIO-RBUKOAKNSA-N -1 0 396.443 2.600 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000004914348 204091289 /nfs/dbraw/zinc/09/12/89/204091289.db2.gz BNNMYLOUYMKALN-UHFFFAOYSA-N -1 0 397.456 2.821 50 0 GFAARM CCOC(=O)c1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000004651242 204060048 /nfs/dbraw/zinc/06/00/48/204060048.db2.gz MPIOXIQSKMNYNE-HZPDHXFCSA-N -1 0 389.404 2.646 50 0 GFAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000005598873 204141872 /nfs/dbraw/zinc/14/18/72/204141872.db2.gz MHFNHXPTMFSVQH-UHFFFAOYSA-N -1 0 380.853 2.613 50 0 GFAARM COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000008745644 204287716 /nfs/dbraw/zinc/28/77/16/204287716.db2.gz BKINZPMALHEMLU-UHFFFAOYSA-N -1 0 379.409 2.854 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1OC ZINC000008053174 204260128 /nfs/dbraw/zinc/26/01/28/204260128.db2.gz IWCWJNGCJNWYNA-UHFFFAOYSA-N -1 0 394.840 2.739 50 0 GFAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)NCCCc1ccccc1 ZINC000009530232 204315792 /nfs/dbraw/zinc/31/57/92/204315792.db2.gz LHLKBRCXOZCFNN-UHFFFAOYSA-N -1 0 389.502 2.639 50 0 GFAARM Cc1c2c(cc(=O)n1C[C@H]1CCCO1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012406749 204405207 /nfs/dbraw/zinc/40/52/07/204405207.db2.gz YYHOGWSAZZDCNT-GFCCVEGCSA-N -1 0 382.445 2.578 50 0 GFAARM O=C([O-])C[C@@H]1Sc2nnc([C@H]3CCCO3)n2N=C1c1ccc(Cl)cc1 ZINC000013182943 204484640 /nfs/dbraw/zinc/48/46/40/204484640.db2.gz LDLNZPMXUNJJTA-NEPJUHHUSA-N -1 0 378.841 2.984 50 0 GFAARM Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000299741082 205096981 /nfs/dbraw/zinc/09/69/81/205096981.db2.gz CPTKLDHZBKLIGU-CQSZACIVSA-N -1 0 396.369 2.521 50 0 GFAARM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000299747019 205098801 /nfs/dbraw/zinc/09/88/01/205098801.db2.gz BVSFNULQCSVVPH-SNVBAGLBSA-N -1 0 376.236 2.853 50 0 GFAARM COC(=O)C[C@@H]1CC(=O)C2=C([O-])c3c(c(Br)ccc3OC)[C@H]2C1 ZINC000055529251 205148375 /nfs/dbraw/zinc/14/83/75/205148375.db2.gz KIBDKRPJUGKECL-QQXLSSBLSA-N -1 0 381.222 2.896 50 0 GFAARM C[C@H](C(=O)Nc1ccccn1)n1c2cc(C(=O)[O-])ccc2n(CC2CC2)c1=O ZINC000055575768 205149851 /nfs/dbraw/zinc/14/98/51/205149851.db2.gz SIPDXWDYSGPKDB-GFCCVEGCSA-N -1 0 380.404 2.506 50 0 GFAARM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2O)cc1 ZINC000057117565 205154735 /nfs/dbraw/zinc/15/47/35/205154735.db2.gz NBORPUFADKFNFM-UHFFFAOYSA-N -1 0 376.478 2.912 50 0 GFAARM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000058355138 205173253 /nfs/dbraw/zinc/17/32/53/205173253.db2.gz WDZFLRYRFHJKKA-UHFFFAOYSA-N -1 0 378.429 2.798 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000064219335 205188307 /nfs/dbraw/zinc/18/83/07/205188307.db2.gz GTXSTEDIVHHJQL-IMJJTQAJSA-N -1 0 396.509 2.650 50 0 GFAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)s2)o1 ZINC000064920057 205200801 /nfs/dbraw/zinc/20/08/01/205200801.db2.gz BIKDOIHPXWYZLJ-UHFFFAOYSA-N -1 0 379.419 2.679 50 0 GFAARM Cc1cc(=O)n2nc(CN(C(=O)c3ccccc3F)c3ccc(F)cc3)[n-]c2n1 ZINC000064580109 205192408 /nfs/dbraw/zinc/19/24/08/205192408.db2.gz RSKMAUJTTCTCFB-UHFFFAOYSA-N -1 0 395.369 2.851 50 0 GFAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(C)cc4)c3[nH]c2=O)cc1 ZINC000065249974 205221650 /nfs/dbraw/zinc/22/16/50/205221650.db2.gz OCOIIILKFCAVLI-UHFFFAOYSA-N -1 0 390.399 2.989 50 0 GFAARM CN1c2ccccc2[C@](CCC(=O)NCCC(=O)[O-])(Cc2ccccc2)C1=O ZINC000071422239 205282668 /nfs/dbraw/zinc/28/26/68/205282668.db2.gz QERAALPNGAQVTE-QFIPXVFZSA-N -1 0 380.444 2.515 50 0 GFAARM O=C(c1ccc([O-])c(Cl)c1)N1CCc2c(=O)[nH]c(-c3ccccc3)nc2C1 ZINC000071388754 205283168 /nfs/dbraw/zinc/28/31/68/205283168.db2.gz MLADPXYCYHIDRM-UHFFFAOYSA-N -1 0 381.819 2.994 50 0 GFAARM CCCn1cc([C@H]2CC(c3c([O-])[nH]c(=O)sc3=O)=Nc3ccccc3N2)cn1 ZINC000071785021 205296508 /nfs/dbraw/zinc/29/65/08/205296508.db2.gz WPUGFHSAHUMSNN-CQSZACIVSA-N -1 0 397.460 2.786 50 0 GFAARM O=C(NCCc1ccc2ccccc2n1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000069489973 205276470 /nfs/dbraw/zinc/27/64/70/205276470.db2.gz CDPHXLGQUAAPQG-UHFFFAOYSA-N -1 0 376.441 2.733 50 0 GFAARM COc1ccc(C(=O)Nc2nccs2)cc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071284279 205279919 /nfs/dbraw/zinc/27/99/19/205279919.db2.gz USGLRNUNCIAPED-CHWSQXEVSA-N -1 0 389.433 2.699 50 0 GFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(c2nc3ccccc3s2)C1 ZINC000079095333 205380341 /nfs/dbraw/zinc/38/03/41/205380341.db2.gz YNANUJGMJHDUKI-UHFFFAOYSA-N -1 0 387.486 2.907 50 0 GFAARM COc1ccc([C@@](C)(NC(=O)Cc2cc(C(C)=O)ccc2OC)C(=O)[O-])cc1 ZINC000095463987 205461517 /nfs/dbraw/zinc/46/15/17/205461517.db2.gz QXKNLCBCUIZZST-OAQYLSRUSA-N -1 0 385.416 2.565 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3c(C)cccc3C)c(=O)c1=2 ZINC000100036886 205603870 /nfs/dbraw/zinc/60/38/70/205603870.db2.gz XYMLIGXWGQOEGG-PKOBYXMFSA-N -1 0 391.431 2.544 50 0 GFAARM C[C@@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000237348464 205681405 /nfs/dbraw/zinc/68/14/05/205681405.db2.gz RMMZKZLMLQWLII-PWSUYJOCSA-N -1 0 397.353 2.744 50 0 GFAARM Cc1nc(-c2cnn(C)c2)sc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237734168 205684623 /nfs/dbraw/zinc/68/46/23/205684623.db2.gz LBJXQBBHSBTJND-HNNXBMFYSA-N -1 0 382.445 2.504 50 0 GFAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000237969234 205686818 /nfs/dbraw/zinc/68/68/18/205686818.db2.gz PTUGXVVFWKSSJS-AEFFLSMTSA-N -1 0 384.407 2.506 50 0 GFAARM O=C([O-])[C@@H](NC(=O)Cn1cc(-c2ccc(Cl)cc2)ncc1=O)c1ccccc1 ZINC000218356088 205946850 /nfs/dbraw/zinc/94/68/50/205946850.db2.gz SGHPGJOXXKVAPN-IBGZPJMESA-N -1 0 397.818 2.506 50 0 GFAARM C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000194926152 206224977 /nfs/dbraw/zinc/22/49/77/206224977.db2.gz SBLKRDVGJWVIPQ-FVJLSDCUSA-N -1 0 396.487 2.722 50 0 GFAARM CC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3cccc4c3OCC4)CC2)cc1 ZINC000095374888 136178539 /nfs/dbraw/zinc/17/85/39/136178539.db2.gz NGHPUMOMNHCRJI-HXUWFJFHSA-N -1 0 380.444 2.772 50 0 GFAARM Cc1cccc(N2CCC(NC(=O)c3cc(=O)n(-c4ccccc4)[n-]3)CC2)c1 ZINC000215247556 136202931 /nfs/dbraw/zinc/20/29/31/136202931.db2.gz CXMUTDMXBMLWCT-UHFFFAOYSA-N -1 0 376.460 2.873 50 0 GFAARM Cc1ccc2c(CC(=O)N3CCC[C@@H](c4ccnn4CC(=O)[O-])C3)coc2c1 ZINC000426380266 534377470 /nfs/dbraw/zinc/37/74/70/534377470.db2.gz AJJSJPFSMVIQQS-OAHLLOKOSA-N -1 0 381.432 2.971 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000238154669 527625617 /nfs/dbraw/zinc/62/56/17/527625617.db2.gz PTUGXVVFWKSSJS-SJLPKXTDSA-N -1 0 384.407 2.506 50 0 GFAARM NS(=O)(=O)c1ccc(CCn2c(=O)c3ccc(Cl)cc3[n-]c2=S)cc1 ZINC000003043398 551092446 /nfs/dbraw/zinc/09/24/46/551092446.db2.gz XBLYTXZYZPOOIE-UHFFFAOYSA-N -1 0 395.893 2.603 50 0 GFAARM O=S(=O)([N-]NC(=S)Nc1ccc(Br)cc1)c1ccccc1 ZINC000006616149 551099802 /nfs/dbraw/zinc/09/98/02/551099802.db2.gz WZQPFXPDRXRFTN-UHFFFAOYSA-N -1 0 386.296 2.629 50 0 GFAARM COc1ccc(Cl)cc1NC(=S)N[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000017079559 551112352 /nfs/dbraw/zinc/11/23/52/551112352.db2.gz YTIFZMGHWHMVLC-UHFFFAOYSA-N -1 0 389.861 2.668 50 0 GFAARM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1cccnc1Cl ZINC000022758757 551118265 /nfs/dbraw/zinc/11/82/65/551118265.db2.gz RAXMYYZSOONQHJ-UHFFFAOYSA-N -1 0 376.829 2.524 50 0 GFAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nnc(C4CC4)n3C)c12 ZINC000025057524 551120163 /nfs/dbraw/zinc/12/01/63/551120163.db2.gz KLTVPTAFHUCXDV-UHFFFAOYSA-N -1 0 376.463 2.894 50 0 GFAARM C[C@H](C(=O)N(CC(=O)[O-])C1CCOCC1)c1ccc(Br)s1 ZINC000237400633 553077666 /nfs/dbraw/zinc/07/76/66/553077666.db2.gz NBFSHYADPUUEGN-VIFPVBQESA-N -1 0 376.272 2.706 50 0 GFAARM O=C([O-])[C@H]1CCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000238087698 553085794 /nfs/dbraw/zinc/08/57/94/553085794.db2.gz QAOSUEOZFRFMND-NSHDSACASA-N -1 0 380.853 2.851 50 0 GFAARM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1cccc(Br)c1)C1CCOCC1 ZINC000238105687 553086135 /nfs/dbraw/zinc/08/61/35/553086135.db2.gz YNSBYDVUYWOBQL-GJZGRUSLSA-N -1 0 382.254 2.645 50 0 GFAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)C1CCOCC1 ZINC000238104140 553086211 /nfs/dbraw/zinc/08/62/11/553086211.db2.gz YNSBYDVUYWOBQL-LSDHHAIUSA-N -1 0 382.254 2.645 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)NCc1nccnc1-c1ccsc1 ZINC000575620154 564701132 /nfs/dbraw/zinc/70/11/32/564701132.db2.gz RCEADOJZRHESPT-UHFFFAOYSA-N -1 0 395.487 2.532 50 0 GFAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2cncc(Br)c2)c1 ZINC000000678560 570216467 /nfs/dbraw/zinc/21/64/67/570216467.db2.gz QVMNNHHLCTUGLD-UHFFFAOYSA-N -1 0 380.223 2.669 50 0 GFAARM CC(=O)c1cc(-n2nc3ccccc3n2)c([O-])c(-n2nc3ccccc3n2)c1O ZINC000001041097 570237653 /nfs/dbraw/zinc/23/76/53/570237653.db2.gz NYMOLOKTUDWTBP-UHFFFAOYSA-N -1 0 386.371 2.768 50 0 GFAARM CC1(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)COC1 ZINC000112695858 570254532 /nfs/dbraw/zinc/25/45/32/570254532.db2.gz AXDRDWDJINXCCX-UHFFFAOYSA-N -1 0 384.461 2.879 50 0 GFAARM Cc1cc2ncc(C(=O)N3CCCC[C@@H]3CCc3cccc(O)c3)c(=O)n2[n-]1 ZINC000102815614 570256450 /nfs/dbraw/zinc/25/64/50/570256450.db2.gz HPSVDUOWFVKLSY-MRXNPFEDSA-N -1 0 380.448 2.664 50 0 GFAARM CCCCn1c(=O)c(C2=NN[C@H](c3ccc(O)c(OC)c3)C2)c([O-])[nH]c1=S ZINC000015834774 570271367 /nfs/dbraw/zinc/27/13/67/570271367.db2.gz GQUWSKJFDYYWPB-NSHDSACASA-N -1 0 390.465 2.564 50 0 GFAARM CC(C)(C)OC(=O)N[C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)[O-] ZINC000002391083 570285598 /nfs/dbraw/zinc/28/55/98/570285598.db2.gz IEAOAWZLUGOPJX-INIZCTEOSA-N -1 0 375.425 2.578 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c1C ZINC000022514536 570319351 /nfs/dbraw/zinc/31/93/51/570319351.db2.gz MGTGRRXNPUXIBD-UHFFFAOYSA-N -1 0 376.434 2.504 50 0 GFAARM O=C([O-])CCCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000002950172 570319491 /nfs/dbraw/zinc/31/94/91/570319491.db2.gz PQJAKUJXHNAVQN-SDNWHVSQSA-N -1 0 376.796 2.685 50 0 GFAARM CSc1ccc2c(c1)CCN(C(=O)CC[C@@]1(CCC(=O)[O-])CCC(=O)N1)C2 ZINC000219423851 570360063 /nfs/dbraw/zinc/36/00/63/570360063.db2.gz HYHNIWIVKPBCGZ-HXUWFJFHSA-N -1 0 390.505 2.587 50 0 GFAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237457800 570362835 /nfs/dbraw/zinc/36/28/35/570362835.db2.gz PVAIIHHRGSNRBM-OAHLLOKOSA-N -1 0 383.492 2.861 50 0 GFAARM COc1cccc(CN(C)c2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)c1 ZINC000024528897 570385225 /nfs/dbraw/zinc/38/52/25/570385225.db2.gz FJHHGIAWPZWMEQ-UHFFFAOYSA-N -1 0 384.461 2.922 50 0 GFAARM Cc1cc(C(O)=CSc2nc(=O)c3c[nH]nc3[n-]2)c(C)n1C[C@H]1CCCO1 ZINC000024747817 570391018 /nfs/dbraw/zinc/39/10/18/570391018.db2.gz QWGYFNGQEDFSSS-GFCCVEGCSA-N -1 0 387.465 2.631 50 0 GFAARM Cc1ccc(-n2ncc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)c2C(F)(F)F)cc1 ZINC000237842854 570405596 /nfs/dbraw/zinc/40/55/96/570405596.db2.gz NPDKGKLSGWEJFU-CYBMUJFWSA-N -1 0 397.353 2.515 50 0 GFAARM CCc1[nH]nc(C(=O)N2CCc3[nH]c(-c4cccc(C(=O)[O-])c4)nc3C2)c1C ZINC000222559160 570414520 /nfs/dbraw/zinc/41/45/20/570414520.db2.gz LZFLODZKFXHHLV-UHFFFAOYSA-N -1 0 379.420 2.567 50 0 GFAARM O=C([O-])[C@H]1CCCN1CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000238093110 570424388 /nfs/dbraw/zinc/42/43/88/570424388.db2.gz AHKRMOLLHWCPFL-WIYYLYMNSA-N -1 0 391.471 2.965 50 0 GFAARM CC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1c(F)cccc1F ZINC000236685224 570427254 /nfs/dbraw/zinc/42/72/54/570427254.db2.gz AOCJPLSBBSONEI-BBRMVZONSA-N -1 0 382.407 2.778 50 0 GFAARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C(=O)CCCc3ccccn3)cc(Cl)c2O1 ZINC000127368846 570457732 /nfs/dbraw/zinc/45/77/32/570457732.db2.gz FNPUZWFPPFQIMJ-GFCCVEGCSA-N -1 0 394.880 2.886 50 0 GFAARM CCCCSc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[n-]1 ZINC000002712584 570505595 /nfs/dbraw/zinc/50/55/95/570505595.db2.gz PNJHWKYCEKNDFE-UHFFFAOYSA-N -1 0 378.454 2.514 50 0 GFAARM CCOC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000002800798 570516753 /nfs/dbraw/zinc/51/67/53/570516753.db2.gz OYLVGIGKUABSTN-HOTGVXAUSA-N -1 0 391.420 2.870 50 0 GFAARM O=C1N[C@H](c2cccc(F)c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000004387411 570731753 /nfs/dbraw/zinc/73/17/53/570731753.db2.gz UVQRIPDTBBUCDQ-JMSVASOKSA-N -1 0 388.342 2.991 50 0 GFAARM Cc1cc2nnc(SCC(=O)N3CCCC[C@H]3C(=O)[O-])n2c2ccccc12 ZINC000013416512 570754399 /nfs/dbraw/zinc/75/43/99/570754399.db2.gz YDYOTOWDAGKFOJ-HNNXBMFYSA-N -1 0 384.461 2.749 50 0 GFAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](C)C(=O)[O-])OC(C)(C)CC3 ZINC000207123139 570773834 /nfs/dbraw/zinc/77/38/34/570773834.db2.gz UULHXXLAXQLMPW-GFCCVEGCSA-N -1 0 387.432 2.727 50 0 GFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000101416302 570822277 /nfs/dbraw/zinc/82/22/77/570822277.db2.gz QQEGIWFIPAGCEK-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=O ZINC000101495311 570825090 /nfs/dbraw/zinc/82/50/90/570825090.db2.gz KONLCDTWWZUSTN-MRXNPFEDSA-N -1 0 395.440 2.843 50 0 GFAARM COc1ccccc1NCc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101802734 570835294 /nfs/dbraw/zinc/83/52/94/570835294.db2.gz NDQHOTQNMIXQMM-UHFFFAOYSA-N -1 0 375.432 2.938 50 0 GFAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)CC(C)C)cc1 ZINC000101802445 570835357 /nfs/dbraw/zinc/83/53/57/570835357.db2.gz FSJLEHFRJNLFKJ-UHFFFAOYSA-N -1 0 383.452 2.704 50 0 GFAARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1csc(-c2ccccc2F)n1 ZINC000102139101 570841653 /nfs/dbraw/zinc/84/16/53/570841653.db2.gz QSRFZGHFHVAAJM-LLVKDONJSA-N -1 0 384.454 2.578 50 0 GFAARM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102654536 570855976 /nfs/dbraw/zinc/85/59/76/570855976.db2.gz XZDJTLCFDWBOEW-WBMJQRKESA-N -1 0 375.494 2.547 50 0 GFAARM Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(F)cc2)cc1C(N)=O ZINC000103061661 570874363 /nfs/dbraw/zinc/87/43/63/570874363.db2.gz KDHZQAURUPFHML-UHFFFAOYSA-N -1 0 391.399 2.870 50 0 GFAARM Cc1nc(-c2ncccn2)sc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000178049454 570885364 /nfs/dbraw/zinc/88/53/64/570885364.db2.gz ACGFVUKTXPFMGB-AWEZNQCLSA-N -1 0 380.429 2.560 50 0 GFAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1 ZINC000032895087 570886653 /nfs/dbraw/zinc/88/66/53/570886653.db2.gz VCPOGQBLQOYNQC-UHFFFAOYSA-N -1 0 392.462 2.819 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccc(-c2nnco2)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000159101518 570903864 /nfs/dbraw/zinc/90/38/64/570903864.db2.gz HQRSASTTYSUHMY-HOTGVXAUSA-N -1 0 375.450 2.758 50 0 GFAARM Cc1cccc(CS(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000016579747 570928318 /nfs/dbraw/zinc/92/83/18/570928318.db2.gz KNORJGZEVDWRPT-KRWDZBQOSA-N -1 0 388.489 2.846 50 0 GFAARM CCCC[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002098863 570941677 /nfs/dbraw/zinc/94/16/77/570941677.db2.gz RMHCEHNMVCAJHD-HNNXBMFYSA-N -1 0 375.421 2.721 50 0 GFAARM Cc1c(O)ccc2c(C)c(CCC(=O)NCCCCCC(=O)[O-])c(=O)oc12 ZINC000002102255 570942094 /nfs/dbraw/zinc/94/20/94/570942094.db2.gz RQFNAYWPMHJGMI-UHFFFAOYSA-N -1 0 375.421 2.809 50 0 GFAARM Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 ZINC000017186426 570942856 /nfs/dbraw/zinc/94/28/56/570942856.db2.gz UWMHSMOIZHTWEF-UHFFFAOYSA-N -1 0 394.880 2.501 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)[O-] ZINC000002122871 570956365 /nfs/dbraw/zinc/95/63/65/570956365.db2.gz JXQBCWZYYPNBGQ-XLFHBGCDSA-N -1 0 395.839 2.921 50 0 GFAARM COc1cccc([C@@H]2CN(C(=O)c3cnc(C)c(C)c3)C[C@H]2C(=O)[O-])c1OC ZINC000091849277 571033110 /nfs/dbraw/zinc/03/31/10/571033110.db2.gz XJHJGKRHMQREMI-DLBZAZTESA-N -1 0 384.432 2.656 50 0 GFAARM CC1(C)CCN(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)CC1 ZINC000095353548 571050948 /nfs/dbraw/zinc/05/09/48/571050948.db2.gz LOMASRQRINGQJM-KRWDZBQOSA-N -1 0 380.510 2.931 50 0 GFAARM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2C1=O ZINC000008961603 654488092 /nfs/dbraw/zinc/48/80/92/654488092.db2.gz AUVXHQMTAANOPY-UHFFFAOYSA-N -1 0 380.853 2.995 50 0 GFAARM Cc1nn(C)cc1C(=O)/C=C/c1ccc(OCC(=O)[O-])c(Br)c1 ZINC000170643081 655144566 /nfs/dbraw/zinc/14/45/66/655144566.db2.gz CFAHFEPZTGSXIL-HWKANZROSA-N -1 0 379.210 2.851 50 0 GFAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C=Cc2cncc(F)c2)c1 ZINC000606442837 677674371 /nfs/dbraw/zinc/67/43/71/677674371.db2.gz QDPNKIADFDSOFA-DJWKRKHSSA-N -1 0 382.800 2.595 50 0 GFAARM Cc1nc(CN(C)S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)cs1 ZINC000156506804 203837025 /nfs/dbraw/zinc/83/70/25/203837025.db2.gz RYKYKEVXGDUTLQ-UHFFFAOYSA-N -1 0 378.834 2.763 50 0 GFAARM O=C([O-])CCC(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000002008581 203923556 /nfs/dbraw/zinc/92/35/56/203923556.db2.gz UCUOKZUJHTYPJT-LJQANCHMSA-N -1 0 386.791 2.864 50 0 GFAARM CCOc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000003265519 203994341 /nfs/dbraw/zinc/99/43/41/203994341.db2.gz BQUJNFAUBARJEM-SFHVURJKSA-N -1 0 388.445 2.541 50 0 GFAARM CC(C)[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002556587 203948874 /nfs/dbraw/zinc/94/88/74/203948874.db2.gz ORVHFHUXDLSLMX-FQEVSTJZSA-N -1 0 396.443 2.751 50 0 GFAARM O=C([O-])CSCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000004334650 204039112 /nfs/dbraw/zinc/03/91/12/204039112.db2.gz QYDCFCKBJAWAEB-UHFFFAOYSA-N -1 0 382.485 2.718 50 0 GFAARM CC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000004017712 204023909 /nfs/dbraw/zinc/02/39/09/204023909.db2.gz XWORNBALBISVMB-JTQLQIEISA-N -1 0 384.672 2.504 50 0 GFAARM CN1C(=O)N/C(=C/c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C1=O ZINC000004741128 204072608 /nfs/dbraw/zinc/07/26/08/204072608.db2.gz MNBPKQSMIOUEEZ-LICLKQGHSA-N -1 0 375.384 2.910 50 0 GFAARM CCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000004593252 204056886 /nfs/dbraw/zinc/05/68/86/204056886.db2.gz JEPWZBLHBHKGDY-SFHVURJKSA-N -1 0 393.461 2.978 50 0 GFAARM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004598914 204057158 /nfs/dbraw/zinc/05/71/58/204057158.db2.gz XGJGWYRHLPSMLW-IRXDYDNUSA-N -1 0 378.469 2.943 50 0 GFAARM CCOC(=O)c1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000004651244 204059425 /nfs/dbraw/zinc/05/94/25/204059425.db2.gz MPIOXIQSKMNYNE-JKSUJKDBSA-N -1 0 389.404 2.646 50 0 GFAARM COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2C)cc1 ZINC000004690432 204064579 /nfs/dbraw/zinc/06/45/79/204064579.db2.gz MICKMDYAMQGWEK-UHFFFAOYSA-N -1 0 398.444 2.920 50 0 GFAARM CCOc1ccc(S(=O)(=O)[N-]NC(=S)NCc2ccc(Cl)cc2)cc1 ZINC000005061084 204108184 /nfs/dbraw/zinc/10/81/84/204108184.db2.gz YMMMIQUJRFHFLN-UHFFFAOYSA-N -1 0 399.925 2.596 50 0 GFAARM CC(=O)c1ccc(-n2c(Cn3ncc4ccccc4c3=O)n[n-]c2=S)cc1 ZINC000005789539 204151334 /nfs/dbraw/zinc/15/13/34/204151334.db2.gz VIQXMLDYEGDNOL-UHFFFAOYSA-N -1 0 377.429 2.891 50 0 GFAARM COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O ZINC000005450872 204133809 /nfs/dbraw/zinc/13/38/09/204133809.db2.gz XTYNQPYNRANPFH-QGZVFWFLSA-N -1 0 390.321 2.799 50 0 GFAARM CCC(CC)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(OC)cc2)s1 ZINC000006778465 204204199 /nfs/dbraw/zinc/20/41/99/204204199.db2.gz CCXSNKRQNORXQX-UHFFFAOYSA-N -1 0 384.483 2.722 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)ccc1O ZINC000006848314 204215212 /nfs/dbraw/zinc/21/52/12/204215212.db2.gz LWBGKHSWVSIHBB-UHFFFAOYSA-N -1 0 376.217 2.876 50 0 GFAARM COC(=O)c1cc2ccc3c(c2oc1=O)CN(c1cccc(C(=O)[O-])c1)CO3 ZINC000006900556 204223313 /nfs/dbraw/zinc/22/33/13/204223313.db2.gz YPLSOAJOTRJNLK-UHFFFAOYSA-N -1 0 381.340 2.634 50 0 GFAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000006887582 204220327 /nfs/dbraw/zinc/22/03/27/204220327.db2.gz YAAUOMLUQXPXGA-UHFFFAOYSA-N -1 0 396.465 2.637 50 0 GFAARM COc1ccc(-n2c(=O)cc([O-])nc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000008571888 204280469 /nfs/dbraw/zinc/28/04/69/204280469.db2.gz BEYNICTVNKGFPB-UHFFFAOYSA-N -1 0 397.456 2.986 50 0 GFAARM COC(=O)c1cc(Br)ccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000008746198 204287197 /nfs/dbraw/zinc/28/71/97/204287197.db2.gz WDEQEFKZFFXDOM-WDEREUQCSA-N -1 0 382.210 2.841 50 0 GFAARM COC(=O)CSc1nn2c([n-]1)nc(C)c(Cc1ccccc1Cl)c2=O ZINC000009305451 204305232 /nfs/dbraw/zinc/30/52/32/204305232.db2.gz SVHQWVHWOZMBNS-UHFFFAOYSA-N -1 0 378.841 2.648 50 0 GFAARM COc1cc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c(OC)cc1Cl ZINC000009096300 204298726 /nfs/dbraw/zinc/29/87/26/204298726.db2.gz VGHWNYDBIXZUAL-UHFFFAOYSA-N -1 0 384.841 2.981 50 0 GFAARM CCC(=O)N[C@@]([N-]c1nc2ccc(C)cc2s1)(C(=O)OC)C(F)(F)F ZINC000009111252 204299601 /nfs/dbraw/zinc/29/96/01/204299601.db2.gz CKCFPCZAXNOESO-CQSZACIVSA-N -1 0 375.372 2.974 50 0 GFAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc2c1C ZINC000011865550 204357761 /nfs/dbraw/zinc/35/77/61/204357761.db2.gz MVKNCJSTPHJRAC-QGZVFWFLSA-N -1 0 375.421 2.576 50 0 GFAARM COc1ccc2c(c1)CCCN2S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000012814293 204453749 /nfs/dbraw/zinc/45/37/49/204453749.db2.gz OTLURJBFOWICFV-UHFFFAOYSA-N -1 0 377.418 2.544 50 0 GFAARM CCc1nnc([N-][C@@]2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)s1 ZINC000040286081 205060863 /nfs/dbraw/zinc/06/08/63/205060863.db2.gz VDYJBSXOVHAUGI-OAHLLOKOSA-N -1 0 399.398 2.566 50 0 GFAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCCC2)c2ccc(Br)cc21 ZINC000040268219 205061242 /nfs/dbraw/zinc/06/12/42/205061242.db2.gz XGYKNLAGKJMMMO-OAHLLOKOSA-N -1 0 381.226 2.710 50 0 GFAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1sc(C)nc1C)CC2 ZINC000299271466 205067289 /nfs/dbraw/zinc/06/72/89/205067289.db2.gz NHILTUFWJMZDSU-CQSZACIVSA-N -1 0 390.461 2.991 50 0 GFAARM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)cc(Cl)c1OC ZINC000042256065 205079921 /nfs/dbraw/zinc/07/99/21/205079921.db2.gz IAMPYJYDUSXDPR-UHFFFAOYSA-N -1 0 391.779 2.754 50 0 GFAARM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000299751328 205104586 /nfs/dbraw/zinc/10/45/86/205104586.db2.gz QKAVOYUUMMZFNS-GFCCVEGCSA-N -1 0 389.370 2.955 50 0 GFAARM O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000051462621 205132733 /nfs/dbraw/zinc/13/27/33/205132733.db2.gz ZGXQGDPZEIEVRN-UHFFFAOYSA-N -1 0 382.420 2.805 50 0 GFAARM COc1cccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)c1 ZINC000065250034 205221824 /nfs/dbraw/zinc/22/18/24/205221824.db2.gz JSJGRPPQWXTFCS-UHFFFAOYSA-N -1 0 390.399 2.989 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc3n(c2)CCN(C(C)C)C3=O)cc1Cl ZINC000065254753 205223497 /nfs/dbraw/zinc/22/34/97/205223497.db2.gz NYYDMRREHUDTFL-UHFFFAOYSA-N -1 0 397.884 2.815 50 0 GFAARM CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3CC(=O)[O-])c(OCC)c1C ZINC000065528371 205236540 /nfs/dbraw/zinc/23/65/40/205236540.db2.gz BZBDFMKLGYZGSW-CQSZACIVSA-N -1 0 387.436 2.856 50 0 GFAARM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc2c1OCCO2 ZINC000065642594 205239666 /nfs/dbraw/zinc/23/96/66/205239666.db2.gz LJYDHELKPNBPMU-UHFFFAOYSA-N -1 0 388.228 2.883 50 0 GFAARM Cc1ccncc1C(=O)N1CCc2c(c(C(=O)[O-])nn2Cc2ccc(F)cc2)C1 ZINC000067947953 205267622 /nfs/dbraw/zinc/26/76/22/205267622.db2.gz ZLJUWEDJUXZWNS-UHFFFAOYSA-N -1 0 394.406 2.671 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1 ZINC000071288688 205281071 /nfs/dbraw/zinc/28/10/71/205281071.db2.gz MJLRIFZRTSPKQX-MSOLQXFVSA-N -1 0 382.416 2.999 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 ZINC000071285580 205281279 /nfs/dbraw/zinc/28/12/79/205281279.db2.gz XXBJIQYOJZPTHS-GJZGRUSLSA-N -1 0 377.404 2.829 50 0 GFAARM O=C([O-])c1cc(-c2cccc3ncccc32)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000071764862 205296197 /nfs/dbraw/zinc/29/61/97/205296197.db2.gz VCGWKXUCWIUGGG-UHFFFAOYSA-N -1 0 398.440 2.621 50 0 GFAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccccc43)C2)cc1 ZINC000072433079 205350840 /nfs/dbraw/zinc/35/08/40/205350840.db2.gz HIVRKAAZLLXKSV-HNNXBMFYSA-N -1 0 376.412 2.931 50 0 GFAARM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OCc3nccn3C)cc2)s1 ZINC000079052796 205379577 /nfs/dbraw/zinc/37/95/77/205379577.db2.gz YWGWDDHYQJXRHB-UHFFFAOYSA-N -1 0 378.479 2.873 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1 ZINC000238143518 205687308 /nfs/dbraw/zinc/68/73/08/205687308.db2.gz URNDQTJFOGWBDZ-LJQANCHMSA-N -1 0 391.427 2.524 50 0 GFAARM CC(C)[C@@H](C(=O)NCC1CCC(C(=O)[O-])CC1)n1cnc2ccccc2c1=O ZINC000013540697 205888599 /nfs/dbraw/zinc/88/85/99/205888599.db2.gz UXTAEYAURAEDPJ-JMLCCBQJSA-N -1 0 385.464 2.601 50 0 GFAARM O=C([O-])c1ccn(-c2cccc(NC(=O)Cn3ccc(=O)c4ccccc43)c2)n1 ZINC000225483448 206051746 /nfs/dbraw/zinc/05/17/46/206051746.db2.gz ICPYJBIIGDGDAE-UHFFFAOYSA-N -1 0 388.383 2.524 50 0 GFAARM CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(C([O-])=C2C(=O)CCCCC2=O)no1 ZINC000225552299 206057491 /nfs/dbraw/zinc/05/74/91/206057491.db2.gz UGSBYBFMIPYAAT-LLVKDONJSA-N -1 0 391.424 2.653 50 0 GFAARM CCOC(=O)[C@@H]1CC=C2[C@@H]3CC[C@]4(O)C[C@H](O)CC[C@]4(C(=O)[O-])[C@@H]3CC[C@@]21C ZINC000254381485 206148616 /nfs/dbraw/zinc/14/86/16/206148616.db2.gz RIUISGYIXPQHGQ-LKKJMWJTSA-N -1 0 392.492 2.669 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 ZINC000136111130 206220721 /nfs/dbraw/zinc/22/07/21/206220721.db2.gz HMXIASVYYSIJHR-ZDUSSCGKSA-N -1 0 382.445 2.933 50 0 GFAARM COc1ccc(CCCN(C)S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OC ZINC000012732210 533469282 /nfs/dbraw/zinc/46/92/82/533469282.db2.gz YICBVVVKQSYOJI-UHFFFAOYSA-N -1 0 399.490 2.717 50 0 GFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(C)=O)CCC3)c1 ZINC000005252353 136194627 /nfs/dbraw/zinc/19/46/27/136194627.db2.gz JODBEPGZSFTBJW-UHFFFAOYSA-N -1 0 390.461 2.804 50 0 GFAARM CCn1cc(S(=O)(=O)[N-]c2cnn(Cc3cccc(C(F)(F)F)c3)c2)cn1 ZINC000002804561 517880713 /nfs/dbraw/zinc/88/07/13/517880713.db2.gz YABMYNFDNCXFTK-UHFFFAOYSA-N -1 0 399.398 2.967 50 0 GFAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002093572 523743140 /nfs/dbraw/zinc/74/31/40/523743140.db2.gz WTBPRYBJRCLLKP-FQEVSTJZSA-N -1 0 395.411 2.985 50 0 GFAARM CSc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2Cl)nc(C2CC2)n1 ZINC000001042834 551091776 /nfs/dbraw/zinc/09/17/76/551091776.db2.gz ZODCWRJSAPTCPK-UHFFFAOYSA-N -1 0 399.885 2.635 50 0 GFAARM CC1CCN(C(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)CC1 ZINC000009828679 551103828 /nfs/dbraw/zinc/10/38/28/551103828.db2.gz CVECLGKSVDQERO-UHFFFAOYSA-N -1 0 379.507 2.745 50 0 GFAARM Cc1cc(Br)cc(C)c1NC(=O)CSc1nc([O-])cc(=O)[nH]1 ZINC000016475222 551111606 /nfs/dbraw/zinc/11/16/06/551111606.db2.gz VBNVLGWGYSPAEI-UHFFFAOYSA-N -1 0 384.255 2.586 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000109621829 570212486 /nfs/dbraw/zinc/21/24/86/570212486.db2.gz GKUFIPPTHYHOSM-CYBMUJFWSA-N -1 0 396.281 2.821 50 0 GFAARM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1C ZINC000000677094 570216457 /nfs/dbraw/zinc/21/64/57/570216457.db2.gz XFNNSLVUUZITOF-UHFFFAOYSA-N -1 0 376.434 2.908 50 0 GFAARM CCOC(=O)N1CCN(C(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])CC1 ZINC000000795112 570223599 /nfs/dbraw/zinc/22/35/99/570223599.db2.gz JLUJNHWCJSMAHY-UHFFFAOYSA-N -1 0 375.208 2.606 50 0 GFAARM Cc1ccc2c(c1)c1c(n2CCC(=O)N2CCC(C(=O)[O-])CC2)CCN(C)C1 ZINC000085393320 570224833 /nfs/dbraw/zinc/22/48/33/570224833.db2.gz UAZGONCIFDRPJR-UHFFFAOYSA-N -1 0 383.492 2.651 50 0 GFAARM CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3Cc2ccccc2)CC1 ZINC000019909588 570229114 /nfs/dbraw/zinc/22/91/14/570229114.db2.gz HDZKGPKPGNYKSZ-UHFFFAOYSA-N -1 0 395.434 2.639 50 0 GFAARM Cn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1nccnc1C(=O)[O-] ZINC000001032673 570236347 /nfs/dbraw/zinc/23/63/47/570236347.db2.gz XLXVCLQLONNVRO-UHFFFAOYSA-N -1 0 391.309 2.846 50 0 GFAARM Cc1nnc(N2C(=O)c3ccc(C(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)s1 ZINC000001176544 570254497 /nfs/dbraw/zinc/25/44/97/570254497.db2.gz STVSPBQEXRXPKX-UHFFFAOYSA-N -1 0 393.380 2.576 50 0 GFAARM CC(=O)Oc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000000635281 570278994 /nfs/dbraw/zinc/27/89/94/570278994.db2.gz KJFKDKDBXYVKOY-INIZCTEOSA-N -1 0 385.397 2.734 50 0 GFAARM C[C@H](NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002556577 570290616 /nfs/dbraw/zinc/29/06/16/570290616.db2.gz VXGGBPQPMISJCA-STQMWFEESA-N -1 0 382.416 2.503 50 0 GFAARM O=C([O-])C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1 ZINC000265614310 570328049 /nfs/dbraw/zinc/32/80/49/570328049.db2.gz VVONJKITOIPXJF-SFHVURJKSA-N -1 0 384.407 2.894 50 0 GFAARM CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccccn3)[n-]c2=O)cc1 ZINC000005082056 570414216 /nfs/dbraw/zinc/41/42/16/570414216.db2.gz ITTYQUQWGPHZSR-UHFFFAOYSA-N -1 0 397.460 2.690 50 0 GFAARM O=C([O-])c1cnn(-c2ccc(C(=O)NCC[C@@H]3CCCO3)cc2)c1C(F)(F)F ZINC000237944799 570415111 /nfs/dbraw/zinc/41/51/11/570415111.db2.gz QXTUUXRLCJMILC-ZDUSSCGKSA-N -1 0 397.353 2.888 50 0 GFAARM O=C([O-])C[C@H]1CN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)CCO1 ZINC000238062942 570422584 /nfs/dbraw/zinc/42/25/84/570422584.db2.gz WGEZMGZPYJHSPW-KRWDZBQOSA-N -1 0 393.443 2.660 50 0 GFAARM Cc1nn(CCCC(=O)[O-])c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000032918564 570515814 /nfs/dbraw/zinc/51/58/14/570515814.db2.gz YQJZVLMQNPUIHX-UHFFFAOYSA-N -1 0 377.404 2.546 50 0 GFAARM COCCn1c(=O)c2ccc(C(=O)NCc3ccc(OC)cc3)cc2[n-]c1=S ZINC000003043685 570531123 /nfs/dbraw/zinc/53/11/23/570531123.db2.gz NNOCOXLHIVHWBX-UHFFFAOYSA-N -1 0 399.472 2.644 50 0 GFAARM O=C([O-])c1ccc(NCc2cccnc2)c(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000107265587 570542543 /nfs/dbraw/zinc/54/25/43/570542543.db2.gz JNYJLYZTBDSDPA-HOTGVXAUSA-N -1 0 377.400 2.848 50 0 GFAARM Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000005574302 570656783 /nfs/dbraw/zinc/65/67/83/570656783.db2.gz DQOWXSOPBBAMCH-ZDUSSCGKSA-N -1 0 376.434 2.551 50 0 GFAARM Cc1oc(CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1C(=O)[O-] ZINC000262903781 570699670 /nfs/dbraw/zinc/69/96/70/570699670.db2.gz BTQIZNFUUNNTTA-UHFFFAOYSA-N -1 0 383.404 2.960 50 0 GFAARM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000263016738 570702402 /nfs/dbraw/zinc/70/24/02/570702402.db2.gz SBSPVDMVEOHXSI-ZDUSSCGKSA-N -1 0 396.852 2.610 50 0 GFAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 ZINC000013122424 570747366 /nfs/dbraw/zinc/74/73/66/570747366.db2.gz WKNLRMNROLNHDJ-CVEARBPZSA-N -1 0 387.440 2.935 50 0 GFAARM CS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000013175124 570749674 /nfs/dbraw/zinc/74/96/74/570749674.db2.gz HWZKPDOFAAATAH-OAHLLOKOSA-N -1 0 381.837 2.689 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCCCOc1ccccc1 ZINC000013236427 570751545 /nfs/dbraw/zinc/75/15/45/570751545.db2.gz UGXIWSBMTGLXOQ-LJQANCHMSA-N -1 0 381.432 2.932 50 0 GFAARM COc1cc(C(=O)[O-])ccc1OS(=O)(=O)c1ccc(Br)cc1 ZINC000096602581 570774813 /nfs/dbraw/zinc/77/48/13/570774813.db2.gz PSQRVXYJSVZQGF-UHFFFAOYSA-N -1 0 387.207 2.924 50 0 GFAARM O=C([O-])C1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000238023396 570777650 /nfs/dbraw/zinc/77/76/50/570777650.db2.gz YVIHPCHBVOYHKA-IBGZPJMESA-N -1 0 380.444 2.871 50 0 GFAARM O=C([O-])C1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000238023226 570777945 /nfs/dbraw/zinc/77/79/45/570777945.db2.gz YVIHPCHBVOYHKA-LJQANCHMSA-N -1 0 380.444 2.871 50 0 GFAARM COc1ccccc1NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000101595308 570827171 /nfs/dbraw/zinc/82/71/71/570827171.db2.gz VJEWSMHMBYVXPH-UHFFFAOYSA-N -1 0 375.450 2.803 50 0 GFAARM CCOc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])=NN1 ZINC000101762176 570832947 /nfs/dbraw/zinc/83/29/47/570832947.db2.gz XFWMKAANDDIDQS-OAHLLOKOSA-N -1 0 398.463 2.585 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCc2ccc(Cn3ccnc3)cc2)c1C ZINC000012549931 570851807 /nfs/dbraw/zinc/85/18/07/570851807.db2.gz AXBNVBYMSMJRQO-UHFFFAOYSA-N -1 0 399.472 2.725 50 0 GFAARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1csc(Cc2ccc(F)cc2)n1 ZINC000170620489 570878119 /nfs/dbraw/zinc/87/81/19/570878119.db2.gz NGMOKHAFRRMIBA-CQSZACIVSA-N -1 0 398.481 2.502 50 0 GFAARM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000089774831 570911703 /nfs/dbraw/zinc/91/17/03/570911703.db2.gz MXMHPXYDPBEUKZ-UHFFFAOYSA-N -1 0 384.407 2.629 50 0 GFAARM O=C([O-])CCN(C(=O)CCc1ncc(-c2ccccc2F)o1)C1CCOCC1 ZINC000238064582 570945320 /nfs/dbraw/zinc/94/53/20/570945320.db2.gz JFVBKFJLBIYDGK-UHFFFAOYSA-N -1 0 390.411 2.896 50 0 GFAARM COc1ccc2c(C)c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(=O)oc2c1C ZINC000002106345 570948536 /nfs/dbraw/zinc/94/85/36/570948536.db2.gz CESWSMFUABTAQM-LJQANCHMSA-N -1 0 395.411 2.903 50 0 GFAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)cc1COc1ccccc1F ZINC000002110275 570950251 /nfs/dbraw/zinc/95/02/51/570950251.db2.gz DSBIRTBUTMGDJM-APWZRJJASA-N -1 0 397.406 2.825 50 0 GFAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)[O-])CC3)ccc12 ZINC000002122083 570955913 /nfs/dbraw/zinc/95/59/13/570955913.db2.gz ASTVQIYCKUTUJK-UHFFFAOYSA-N -1 0 387.432 2.756 50 0 GFAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002124294 570957243 /nfs/dbraw/zinc/95/72/43/570957243.db2.gz KKGJKNOQCPDVMW-ORAYPTAESA-N -1 0 381.384 2.811 50 0 GFAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000002157484 570973858 /nfs/dbraw/zinc/97/38/58/570973858.db2.gz VGTIGKWWIQGPNY-STQMWFEESA-N -1 0 375.421 2.801 50 0 GFAARM O=C([O-])c1c(I)ccc(I)c1F ZINC000098174804 571003813 /nfs/dbraw/zinc/00/38/13/571003813.db2.gz UZAWBZDPOOUYIM-UHFFFAOYSA-N -1 0 391.905 2.733 50 0 GFAARM CCOC(=O)Nc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000012762138 571013223 /nfs/dbraw/zinc/01/32/23/571013223.db2.gz KYBMOGBSDBVFEN-UHFFFAOYSA-N -1 0 386.433 2.825 50 0 GFAARM COC(=O)c1cccc(NC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1 ZINC000012774366 571027879 /nfs/dbraw/zinc/02/78/79/571027879.db2.gz GYRMLNGEXPPACF-UHFFFAOYSA-N -1 0 397.406 2.971 50 0 GFAARM CC(=O)c1c(C)nn(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1C ZINC000095361199 571055280 /nfs/dbraw/zinc/05/52/80/571055280.db2.gz XCYJEZGFIDAYPV-GOSISDBHSA-N -1 0 383.448 2.807 50 0 GFAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)[C@@H]1Cc3ccccc3O1)CC2 ZINC000277783937 599816985 /nfs/dbraw/zinc/81/69/85/599816985.db2.gz XUTZYLHUQNBLED-UZLBHIALSA-N -1 0 397.427 2.608 50 0 GFAARM Cc1ccc(-c2noc(CCC(=O)NC3CCC(C(=O)[O-])CC3)n2)cc1F ZINC000095970515 600047818 /nfs/dbraw/zinc/04/78/18/600047818.db2.gz RKRCBUURHWVZLN-UHFFFAOYSA-N -1 0 375.400 2.876 50 0 GFAARM COCc1nc2scc(-c3ccccc3)c2c(N2CCC(O)(C(=O)[O-])CC2)n1 ZINC000649402270 604717370 /nfs/dbraw/zinc/71/73/70/604717370.db2.gz NRKUEFXUAQMFCB-UHFFFAOYSA-N -1 0 399.472 2.921 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C)n3)cs2)c(OC)c1 ZINC000021701584 654529284 /nfs/dbraw/zinc/52/92/84/654529284.db2.gz DDIVYZYSYIASPB-UHFFFAOYSA-N -1 0 381.435 2.925 50 0 GFAARM CCc1c(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cnn1-c1ccc(OC)nn1 ZINC000222077676 222605030 /nfs/dbraw/zinc/60/50/30/222605030.db2.gz LXHRPIOYRAYGNP-WDZFZDKYSA-N -1 0 393.403 2.583 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)cc1C ZINC000000645288 203844804 /nfs/dbraw/zinc/84/48/04/203844804.db2.gz HRZVTRWMOFWIFB-UHFFFAOYSA-N -1 0 382.869 2.930 50 0 GFAARM C[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000002105980 203823043 /nfs/dbraw/zinc/82/30/43/203823043.db2.gz BJJSPDHIKYCUPO-CHWSQXEVSA-N -1 0 381.384 2.817 50 0 GFAARM CCOc1ccc(CCNS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1OCC ZINC000001427787 203907645 /nfs/dbraw/zinc/90/76/45/203907645.db2.gz XAZSEYGNHIDVBS-UHFFFAOYSA-N -1 0 393.461 2.703 50 0 GFAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](CCC)C(=O)[O-])ccc12 ZINC000002148342 203928475 /nfs/dbraw/zinc/92/84/75/203928475.db2.gz XRMYOOPCIFVNGG-OAHLLOKOSA-N -1 0 375.421 2.802 50 0 GFAARM COC(=O)Cc1nc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C ZINC000004297051 204036583 /nfs/dbraw/zinc/03/65/83/204036583.db2.gz RCJXDALMFGGTFN-UHFFFAOYSA-N -1 0 394.396 2.987 50 0 GFAARM Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1C(=O)[O-])S(C)(=O)=O ZINC000004019154 204024306 /nfs/dbraw/zinc/02/43/06/204024306.db2.gz WKBVXASPZDDCLX-UHFFFAOYSA-N -1 0 396.852 2.751 50 0 GFAARM CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000004869249 204084914 /nfs/dbraw/zinc/08/49/14/204084914.db2.gz SJGUCVPERIFGKK-UHFFFAOYSA-N -1 0 379.434 2.682 50 0 GFAARM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)OC)ccc21 ZINC000004884445 204086834 /nfs/dbraw/zinc/08/68/34/204086834.db2.gz MYNWTXUPXZKEMD-UHFFFAOYSA-N -1 0 388.445 2.573 50 0 GFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccnc1Cl ZINC000005925558 204157380 /nfs/dbraw/zinc/15/73/80/204157380.db2.gz PAXXOCNIGKPJJZ-UHFFFAOYSA-N -1 0 389.824 2.578 50 0 GFAARM CC1CCN(C(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1 ZINC000005940168 204158898 /nfs/dbraw/zinc/15/88/98/204158898.db2.gz HNEYNYRMSMGLRA-UHFFFAOYSA-N -1 0 391.522 2.706 50 0 GFAARM C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)c1ccc2c(c1)CCC2 ZINC000005573436 204139790 /nfs/dbraw/zinc/13/97/90/204139790.db2.gz KFPMRVCUPJPCIB-ZDUSSCGKSA-N -1 0 387.457 2.975 50 0 GFAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1 ZINC000005574527 204141841 /nfs/dbraw/zinc/14/18/41/204141841.db2.gz FXVRTCVIGDJOCL-LLVKDONJSA-N -1 0 396.852 2.896 50 0 GFAARM Cc1c(C(N)=O)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000006184389 204170405 /nfs/dbraw/zinc/17/04/05/204170405.db2.gz STINFIHLUWESGO-QWRGUYRKSA-N -1 0 396.465 2.550 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1OC ZINC000006770700 204203169 /nfs/dbraw/zinc/20/31/69/204203169.db2.gz NFPGZLIEMWNEFW-MSOLQXFVSA-N -1 0 380.404 2.506 50 0 GFAARM CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)[O-])C1=O ZINC000007078153 204233132 /nfs/dbraw/zinc/23/31/32/204233132.db2.gz KZGVVHDYWRXGIZ-KYJZABPNSA-N -1 0 393.417 2.528 50 0 GFAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008778925 204290491 /nfs/dbraw/zinc/29/04/91/204290491.db2.gz LFOIGSXJWNYRMN-CYBMUJFWSA-N -1 0 396.415 2.674 50 0 GFAARM COC(=O)c1cccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000009014140 204297630 /nfs/dbraw/zinc/29/76/30/204297630.db2.gz IMDXXMQFXRHFMT-LGMDPLHJSA-N -1 0 393.399 2.751 50 0 GFAARM CCC(=O)N[C@]([N-]c1nc2ccc(F)cc2s1)(C(=O)OC)C(F)(F)F ZINC000009319955 204307378 /nfs/dbraw/zinc/30/73/78/204307378.db2.gz SGLTVTDKXOXIPA-ZDUSSCGKSA-N -1 0 379.335 2.805 50 0 GFAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000009367514 204308316 /nfs/dbraw/zinc/30/83/16/204308316.db2.gz VZLHNUYWZREXHI-UHFFFAOYSA-N -1 0 380.214 2.878 50 0 GFAARM COc1cc2c(cc1OC)CN(C(=O)[N-]C(=O)C(Cl)(Cl)Cl)CC2 ZINC000009419086 204309370 /nfs/dbraw/zinc/30/93/70/204309370.db2.gz UEEINGLAALCHRY-UHFFFAOYSA-N -1 0 381.643 2.668 50 0 GFAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C)c2)c(C)n1C ZINC000009684873 204319704 /nfs/dbraw/zinc/31/97/04/204319704.db2.gz VZFYPRHFQTXDMB-UHFFFAOYSA-N -1 0 375.494 2.987 50 0 GFAARM COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000012201176 204382719 /nfs/dbraw/zinc/38/27/19/204382719.db2.gz VGMLDHMFBPPGIU-UHFFFAOYSA-N -1 0 394.836 2.803 50 0 GFAARM Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(C(=O)[O-])c2)C3)cc1 ZINC000012323249 204397549 /nfs/dbraw/zinc/39/75/49/204397549.db2.gz NNBHBKMXWSEAFR-SFHVURJKSA-N -1 0 377.400 2.690 50 0 GFAARM COc1cc([N-]S(=O)(=O)/C=C/c2ccccc2)c(C(=O)N(C)C)cc1OC ZINC000024955079 204828692 /nfs/dbraw/zinc/82/86/92/204828692.db2.gz LKOBZCLTJZQQDU-ZHACJKMWSA-N -1 0 390.461 2.818 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc32)cc1 ZINC000032097340 204910200 /nfs/dbraw/zinc/91/02/00/204910200.db2.gz KRTXSUOIJOTSKX-UHFFFAOYSA-N -1 0 383.429 2.620 50 0 GFAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000036360964 205014642 /nfs/dbraw/zinc/01/46/42/205014642.db2.gz XACDJJJZONNMEW-OAQYLSRUSA-N -1 0 393.443 2.674 50 0 GFAARM CCc1nn2c(ncc3c(=O)n(CCC(=O)[O-])ccc32)c1-c1ccc(F)cc1 ZINC000040396794 205063858 /nfs/dbraw/zinc/06/38/58/205063858.db2.gz JWHGAFDREBGDJY-UHFFFAOYSA-N -1 0 380.379 2.887 50 0 GFAARM C[C@@H](C(=O)Nc1ccccn1)n1c2cc(C(=O)[O-])ccc2n(CC2CC2)c1=O ZINC000055575767 205148368 /nfs/dbraw/zinc/14/83/68/205148368.db2.gz SIPDXWDYSGPKDB-LBPRGKRZSA-N -1 0 380.404 2.506 50 0 GFAARM COc1cc(C)ccc1OCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000060496798 205181611 /nfs/dbraw/zinc/18/16/11/205181611.db2.gz JTOMALIELHWUTQ-UHFFFAOYSA-N -1 0 375.855 2.602 50 0 GFAARM CC[C@H](C)C(=O)N1CCc2c(c(C(=O)[O-])nn2CCc2ccc(OC)cc2)C1 ZINC000067588295 205251396 /nfs/dbraw/zinc/25/13/96/205251396.db2.gz ZFJQKBRXBNHIFS-AWEZNQCLSA-N -1 0 385.464 2.763 50 0 GFAARM O=C([O-])c1cc(-c2cccc3cnccc32)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000071747201 205288946 /nfs/dbraw/zinc/28/89/46/205288946.db2.gz KZFCLDPZZIBHBP-UHFFFAOYSA-N -1 0 398.440 2.621 50 0 GFAARM COc1ccc(NC(=O)c2ccc(NC(=O)c3nccnc3C(=O)[O-])cc2)cc1 ZINC000071279871 205279076 /nfs/dbraw/zinc/27/90/76/205279076.db2.gz FEWYDNXGPPXXAN-UHFFFAOYSA-N -1 0 392.371 2.688 50 0 GFAARM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000078877884 205375488 /nfs/dbraw/zinc/37/54/88/205375488.db2.gz HCKVBSJTCGFOFP-UHFFFAOYSA-N -1 0 379.344 2.650 50 0 GFAARM Cc1ccccc1S(=O)(=O)[N-]C(=O)COc1cccc(OCC(C)C)c1 ZINC000089696819 205407464 /nfs/dbraw/zinc/40/74/64/205407464.db2.gz DBJNCKZNDOGUOT-UHFFFAOYSA-N -1 0 377.462 2.914 50 0 GFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)COc3ccc4c(c3)OCO4)C2)c1 ZINC000095361316 205443788 /nfs/dbraw/zinc/44/37/88/205443788.db2.gz ZRTYFEVPIWKNRF-INIZCTEOSA-N -1 0 383.400 2.899 50 0 GFAARM CN(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095392495 205454800 /nfs/dbraw/zinc/45/48/00/205454800.db2.gz KJUCMAIHCZXBAY-IBGZPJMESA-N -1 0 388.489 2.941 50 0 GFAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)c1 ZINC000095453976 205459590 /nfs/dbraw/zinc/45/95/90/205459590.db2.gz RQYYLTJSOCFBGE-CQSZACIVSA-N -1 0 397.353 2.886 50 0 GFAARM CCCCn1c(-c2ccc(C(=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000095951442 205508716 /nfs/dbraw/zinc/50/87/16/205508716.db2.gz BQNJUVAVAMWYNH-UHFFFAOYSA-N -1 0 384.436 2.852 50 0 GFAARM O=C(Nc1ccc(F)c(F)c1)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000096361199 205562832 /nfs/dbraw/zinc/56/28/32/205562832.db2.gz WHFKAFIHZUNOFB-UHFFFAOYSA-N -1 0 396.350 2.880 50 0 GFAARM CCc1[nH]nc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1C(=O)OC ZINC000048991562 205668246 /nfs/dbraw/zinc/66/82/46/205668246.db2.gz QFJONLGFNUQRCC-UHFFFAOYSA-N -1 0 377.344 2.578 50 0 GFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004029166 205730415 /nfs/dbraw/zinc/73/04/15/205730415.db2.gz GMUYSWQSSRROPG-MOPGFXCFSA-N -1 0 396.443 2.600 50 0 biogenic,in-vitro GFAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000008270934 205794435 /nfs/dbraw/zinc/79/44/35/205794435.db2.gz HSJLDLJQCZJUGK-HNNXBMFYSA-N -1 0 397.399 2.937 50 0 GFAARM Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)cc1C(=O)[O-] ZINC000013278725 205886273 /nfs/dbraw/zinc/88/62/73/205886273.db2.gz OVOIHYAMNKTYRA-UHFFFAOYSA-N -1 0 383.809 2.919 50 0 GFAARM CCOC(=O)c1nc([N-]S(=O)(=O)Cc2ccccc2F)sc1C(C)=O ZINC000225529866 206055724 /nfs/dbraw/zinc/05/57/24/206055724.db2.gz NAHPGCYDNXXSMY-UHFFFAOYSA-N -1 0 386.426 2.603 50 0 GFAARM COC(=O)C[C@@H](c1ccc(OC)cc1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096114901 206117933 /nfs/dbraw/zinc/11/79/33/206117933.db2.gz BMMBECHAMZYSOL-AWEZNQCLSA-N -1 0 388.807 2.757 50 0 GFAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43COS(=O)(=O)[O-])[C@H]1CCC2=O ZINC000247653844 206132443 /nfs/dbraw/zinc/13/24/43/206132443.db2.gz OFAHVPXLWWIVAF-WZDWFBNESA-N -1 0 384.494 2.679 50 0 GFAARM O=C([O-])c1csc(CNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000124367145 206208821 /nfs/dbraw/zinc/20/88/21/206208821.db2.gz LNZKBIWAIKLKND-UHFFFAOYSA-N -1 0 380.853 2.859 50 0 GFAARM COc1ccccc1CNC(C)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005884704 206217704 /nfs/dbraw/zinc/21/77/04/206217704.db2.gz WEWKPISIWBZIHI-NBVRZTHBSA-N -1 0 379.416 2.650 50 0 GFAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCSCC1 ZINC000058358229 136155309 /nfs/dbraw/zinc/15/53/09/136155309.db2.gz ARMVTANYBAXIOD-UHFFFAOYSA-N -1 0 378.475 2.739 50 0 GFAARM Cc1cc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)ccc1OCC(=O)[O-] ZINC000058377423 136155333 /nfs/dbraw/zinc/15/53/33/136155333.db2.gz FHUCBMGSMSLHPN-UHFFFAOYSA-N -1 0 397.399 2.878 50 0 GFAARM Cc1cc(N2CCN(c3nnc(C4CC4)o3)CC2)nc(-c2ccccc2[O-])n1 ZINC000095365424 136178201 /nfs/dbraw/zinc/17/82/01/136178201.db2.gz FZLQDRHHCZDELL-UHFFFAOYSA-N -1 0 378.436 2.745 50 0 GFAARM Cc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)/C=C/C(=O)[O-])CC2)cc1 ZINC000000627707 136192902 /nfs/dbraw/zinc/19/29/02/136192902.db2.gz RYPFIQYMRCTAJV-ZHACJKMWSA-N -1 0 393.443 2.537 50 0 GFAARM C[C@@H]1CN(c2ccc(NC(=O)C[C@@]3(C(=O)[O-])CCSC3)cc2F)C[C@@H](C)O1 ZINC000106866312 136201620 /nfs/dbraw/zinc/20/16/20/136201620.db2.gz IODVYTRKSYWVOX-VPZZIHKRSA-N -1 0 396.484 2.976 50 0 GFAARM CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000632137525 450600582 /nfs/dbraw/zinc/60/05/82/450600582.db2.gz OGYUCMXXCXPNTJ-GXTWGEPZSA-N -1 0 388.917 2.607 50 0 GFAARM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)CCc2ccc(F)c(F)c2)C1 ZINC000426514626 534511061 /nfs/dbraw/zinc/51/10/61/534511061.db2.gz IFLNGUPZZNYPSV-AWEZNQCLSA-N -1 0 377.391 2.585 50 0 GFAARM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000005602543 551097950 /nfs/dbraw/zinc/09/79/50/551097950.db2.gz CDCBTDLCQQMAPU-UHFFFAOYSA-N -1 0 390.280 2.653 50 0 GFAARM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)s1 ZINC000115921319 551210542 /nfs/dbraw/zinc/21/05/42/551210542.db2.gz XYWAEALJJFZSAO-SSDOTTSWSA-N -1 0 386.882 2.855 50 0 GFAARM COCc1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)s1 ZINC000133595546 551383883 /nfs/dbraw/zinc/38/38/83/551383883.db2.gz HDRDBFVAOQUBTO-UHFFFAOYSA-N -1 0 392.861 2.650 50 0 GFAARM COC(=O)c1cc(Br)c(S(=O)(=O)[N-]c2ccc(F)cn2)s1 ZINC000170609256 551635370 /nfs/dbraw/zinc/63/53/70/551635370.db2.gz ILEWISCNTHLEBU-UHFFFAOYSA-N -1 0 395.231 2.632 50 0 GFAARM COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237105108 553075062 /nfs/dbraw/zinc/07/50/62/553075062.db2.gz ZTOFSTFDTSNCPP-KBPBESRZSA-N -1 0 384.270 2.577 50 0 GFAARM Cc1cnc([C@@H](NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C2CC2)s1 ZINC000414625681 563748355 /nfs/dbraw/zinc/74/83/55/563748355.db2.gz JQFCQWGFQVAIHM-MXWKQRLJSA-N -1 0 377.388 2.807 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000000892679 570228714 /nfs/dbraw/zinc/22/87/14/570228714.db2.gz HAKVCULKJUFJKF-UHFFFAOYSA-N -1 0 398.487 2.509 50 0 GFAARM COc1ccc(C[C@@H](C(=O)Nc2cc(C)ccc2C)c2nnn[n-]2)c(OC)c1 ZINC000000931766 570229841 /nfs/dbraw/zinc/22/98/41/570229841.db2.gz GOVQXEUYYAESFH-MRXNPFEDSA-N -1 0 381.436 2.799 50 0 GFAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)cc1 ZINC000001108943 570242333 /nfs/dbraw/zinc/24/23/33/570242333.db2.gz ASDLAPZLIISTRP-UHFFFAOYSA-N -1 0 396.852 2.516 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000100033068 570265160 /nfs/dbraw/zinc/26/51/60/570265160.db2.gz DEABHCWMQZVLQR-OALUTQOASA-N -1 0 391.431 2.544 50 0 GFAARM O=c1cc(CSc2ncccn2)nc2[n-]c(SCc3ccccc3)nn21 ZINC000100071775 570265707 /nfs/dbraw/zinc/26/57/07/570265707.db2.gz AUYSIYZKIDDVHQ-UHFFFAOYSA-N -1 0 382.474 2.792 50 0 GFAARM CCOCc1nnc([N-]S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000002191239 570278516 /nfs/dbraw/zinc/27/85/16/570278516.db2.gz ZWGBVXLJQNITNN-UHFFFAOYSA-N -1 0 378.273 2.638 50 0 GFAARM COc1cc(NC(=O)NCCC(=O)[O-])c(Br)cc1Br ZINC000234875705 570283825 /nfs/dbraw/zinc/28/38/25/570283825.db2.gz QIPBMIVZCIRUDE-UHFFFAOYSA-N -1 0 396.035 2.816 50 0 GFAARM C=CC(=O)N[C@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000002577141 570291153 /nfs/dbraw/zinc/29/11/53/570291153.db2.gz PQSKRDCYDLWOAX-LLVKDONJSA-N -1 0 396.683 2.670 50 0 GFAARM COc1ccccc1Cc1nnc(CCC(=O)N[C@@H](C)c2ccccc2)c(=O)[n-]1 ZINC000034768274 570333488 /nfs/dbraw/zinc/33/34/88/570333488.db2.gz VLORDRHULSQWGV-HNNXBMFYSA-N -1 0 392.459 2.987 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N(C)C[C@@H]3CCOC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237232211 570339966 /nfs/dbraw/zinc/33/99/66/570339966.db2.gz YQBFVXYRMJBGKG-INIZCTEOSA-N -1 0 385.464 2.615 50 0 GFAARM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCO[C@@H](CC(=O)[O-])C2)o1 ZINC000237706806 570390527 /nfs/dbraw/zinc/39/05/27/570390527.db2.gz JYKYNWJLBKKHHO-INIZCTEOSA-N -1 0 395.415 2.756 50 0 GFAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1csc(Cc2ccccc2F)n1 ZINC000238098464 570423603 /nfs/dbraw/zinc/42/36/03/570423603.db2.gz VPJQXIWCMHAOQQ-AWEZNQCLSA-N -1 0 392.452 2.969 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000236589593 570427215 /nfs/dbraw/zinc/42/72/15/570427215.db2.gz NGFUGRNZFWRUQL-IAGOWNOFSA-N -1 0 386.473 2.916 50 0 GFAARM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000133270875 570468066 /nfs/dbraw/zinc/46/80/66/570468066.db2.gz MRXTWPOBAHMLPT-LSDHHAIUSA-N -1 0 375.494 2.546 50 0 GFAARM COc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1OCc1cscn1 ZINC000269023324 570507507 /nfs/dbraw/zinc/50/75/07/570507507.db2.gz JIKLFQHAOGCTOO-SFHVURJKSA-N -1 0 376.434 2.668 50 0 GFAARM CCc1nc2sc([C@H](c3ccco3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854162 570556854 /nfs/dbraw/zinc/55/68/54/570556854.db2.gz LOKMBRNYDLBEAQ-AWEZNQCLSA-N -1 0 390.465 2.580 50 0 GFAARM Cc1nn(C)c2[n-]c(C(=O)OCC(=O)Nc3c(C)cccc3C(C)C)cc(=O)c12 ZINC000072312536 570648535 /nfs/dbraw/zinc/64/85/35/570648535.db2.gz VGQKENWVYDXCBL-UHFFFAOYSA-N -1 0 396.447 2.797 50 0 GFAARM Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000005574292 570664912 /nfs/dbraw/zinc/66/49/12/570664912.db2.gz DQOWXSOPBBAMCH-CYBMUJFWSA-N -1 0 376.434 2.551 50 0 GFAARM COc1cccc(CNC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1 ZINC000012790371 570713885 /nfs/dbraw/zinc/71/38/85/570713885.db2.gz MZKDYFMRNLZZMF-UHFFFAOYSA-N -1 0 383.423 2.871 50 0 GFAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012799553 570716929 /nfs/dbraw/zinc/71/69/29/570716929.db2.gz PXPPZWQFRSHFBT-UHFFFAOYSA-N -1 0 383.809 2.714 50 0 GFAARM COC(=O)c1ccccc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000017877378 570718008 /nfs/dbraw/zinc/71/80/08/570718008.db2.gz INAHNTNIZZRBSW-HNNXBMFYSA-N -1 0 385.397 2.596 50 0 GFAARM O=C([O-])C[C@H]1Sc2nnc([C@@H]3CCCO3)n2N=C1c1ccc(Cl)cc1 ZINC000013182940 570750325 /nfs/dbraw/zinc/75/03/25/570750325.db2.gz LDLNZPMXUNJJTA-NWDGAFQWSA-N -1 0 378.841 2.984 50 0 GFAARM CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1CCC(=O)[O-] ZINC000169301489 570780627 /nfs/dbraw/zinc/78/06/27/570780627.db2.gz NYWAELKLKKYXFV-UHFFFAOYSA-N -1 0 381.498 2.884 50 0 GFAARM Cc1nc2[n-]c(CN3CCc4ccccc4C3)nn2c(=O)c1Cc1ccccc1 ZINC000101802703 570835467 /nfs/dbraw/zinc/83/54/67/570835467.db2.gz XLGXVPKZLKADBL-UHFFFAOYSA-N -1 0 385.471 2.875 50 0 GFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(-c2cccs2)no1 ZINC000012560732 570864842 /nfs/dbraw/zinc/86/48/42/570864842.db2.gz SBSVESPVXUMPEH-UHFFFAOYSA-N -1 0 379.419 2.527 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(F)c4)c=3c2=O)c1 ZINC000102819716 570865940 /nfs/dbraw/zinc/86/59/40/570865940.db2.gz KPDSLVOUPNFQGY-IRXDYDNUSA-N -1 0 384.367 2.649 50 0 GFAARM COc1ccnc(CS(=O)(=O)c2nnc(-c3ccc(Cl)cc3)[n-]2)c1OC ZINC000170617134 570876014 /nfs/dbraw/zinc/87/60/14/570876014.db2.gz PXPTVHPAYYBPTE-UHFFFAOYSA-N -1 0 394.840 2.511 50 0 GFAARM COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3SCC(=O)[O-])cc1 ZINC000103316265 570880953 /nfs/dbraw/zinc/88/09/53/570880953.db2.gz RAIPFMXXJBLVON-IBGZPJMESA-N -1 0 396.428 2.680 50 0 GFAARM CCCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000033266205 570884032 /nfs/dbraw/zinc/88/40/32/570884032.db2.gz LVQNULXVJUIJRV-UHFFFAOYSA-N -1 0 384.396 2.506 50 0 GFAARM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(CCCC(=O)[O-])CC1 ZINC000116342632 570886378 /nfs/dbraw/zinc/88/63/78/570886378.db2.gz STRVRFDPHJLJJJ-UHFFFAOYSA-N -1 0 396.553 2.772 50 0 GFAARM Cc1nc(C(=O)N2CCCC[C@H]2C(=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000097017573 570886795 /nfs/dbraw/zinc/88/67/95/570886795.db2.gz XAODYMIATCMROE-LBPRGKRZSA-N -1 0 383.235 2.962 50 0 GFAARM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1cc(F)ccc1F ZINC000012604767 570888323 /nfs/dbraw/zinc/88/83/23/570888323.db2.gz LTMYLYDUJKBBGA-UHFFFAOYSA-N -1 0 377.376 2.754 50 0 GFAARM Cc1onc(-c2ccccc2)c1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000105769017 570932048 /nfs/dbraw/zinc/93/20/48/570932048.db2.gz UMFUVLQFLWTBEJ-UHFFFAOYSA-N -1 0 383.429 2.687 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000108358523 570987102 /nfs/dbraw/zinc/98/71/02/570987102.db2.gz BRKODXKTUZABBD-FPMFFAJLSA-N -1 0 375.812 2.817 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccc(-c2ncon2)cc1 ZINC000252537267 570991623 /nfs/dbraw/zinc/99/16/23/570991623.db2.gz KVCGFOFQFJLPKO-UHFFFAOYSA-N -1 0 395.799 2.789 50 0 GFAARM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000170656588 571000035 /nfs/dbraw/zinc/00/00/35/571000035.db2.gz XHVKPNFDCGZDEH-ZDUSSCGKSA-N -1 0 376.478 2.824 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)CCc2[nH]nc3c2CCCC3)C[C@H]1c1ccc(F)cc1 ZINC000091871902 571034074 /nfs/dbraw/zinc/03/40/74/571034074.db2.gz QKLABPVKJNWNFT-DLBZAZTESA-N -1 0 385.439 2.687 50 0 GFAARM Cc1cccc(Cl)c1NC(=O)N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000095383833 571068983 /nfs/dbraw/zinc/06/89/83/571068983.db2.gz JWAZSDQFRWOPQF-GFCCVEGCSA-N -1 0 379.844 2.578 50 0 GFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CN4)C2)c1 ZINC000095387223 571070813 /nfs/dbraw/zinc/07/08/13/571070813.db2.gz ROTOKCJYVNOWEA-MRXNPFEDSA-N -1 0 379.416 2.769 50 0 GFAARM COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000095424833 600875552 /nfs/dbraw/zinc/87/55/52/600875552.db2.gz RKVVJQNNJCRTIX-UHFFFAOYSA-N -1 0 397.387 2.849 50 0 GFAARM COc1ccccc1/C=C(\C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000606441878 601739004 /nfs/dbraw/zinc/73/90/04/601739004.db2.gz CRPAFDIJMDTHGO-ZJYZBMPFSA-N -1 0 381.428 2.938 50 0 GFAARM CCS(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000095944124 655029810 /nfs/dbraw/zinc/02/98/10/655029810.db2.gz BNRBEXLQBSSBOU-UHFFFAOYSA-N -1 0 375.418 2.868 50 0 GFAARM CC[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000888101086 663178420 /nfs/dbraw/zinc/17/84/20/663178420.db2.gz AUAGIXKLOQTEDV-KCJUWKMLSA-N -1 0 396.690 2.723 50 0 GFAARM O=C([O-])c1cncc(-c2ccc(C(=O)N3CCC(c4cc[nH]n4)CC3)cc2)n1 ZINC000426368396 231208639 /nfs/dbraw/zinc/20/86/39/231208639.db2.gz XRHRQBCBZVPYPQ-UHFFFAOYSA-N -1 0 377.404 2.585 50 0 GFAARM COc1cc(C(=O)[O-])cc(C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)c1 ZINC000426612639 231246026 /nfs/dbraw/zinc/24/60/26/231246026.db2.gz UHQGHZKMXWQSJP-IBGZPJMESA-N -1 0 383.448 2.745 50 0 GFAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1 ZINC000100621293 203836230 /nfs/dbraw/zinc/83/62/30/203836230.db2.gz YSZBLRKPKLAGOI-UHFFFAOYSA-N -1 0 378.384 2.692 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000000917592 203864606 /nfs/dbraw/zinc/86/46/06/203864606.db2.gz OKUCBEDYMRFTQP-UHFFFAOYSA-N -1 0 399.428 2.727 50 0 GFAARM CCCc1cc2c(nc(C)n([N-]C(=O)c3nn(C)c(C)c3Cl)c2=O)s1 ZINC000002779572 203962101 /nfs/dbraw/zinc/96/21/01/203962101.db2.gz YMSHGORASXEGHE-UHFFFAOYSA-N -1 0 379.873 2.798 50 0 GFAARM COc1ccccc1C(=O)Nc1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1 ZINC000004327882 204039826 /nfs/dbraw/zinc/03/98/26/204039826.db2.gz RXZSZCZZJMVJDB-UHFFFAOYSA-N -1 0 398.444 2.920 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccco1 ZINC000003618820 204015126 /nfs/dbraw/zinc/01/51/26/204015126.db2.gz VTBWVDOPEARKSI-MRXNPFEDSA-N -1 0 398.415 2.768 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)OC[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000004107906 204027178 /nfs/dbraw/zinc/02/71/78/204027178.db2.gz RBRROENIHDLYLJ-OAHLLOKOSA-N -1 0 392.458 2.523 50 0 GFAARM COc1ccc(-c2cc3ccc(OCc4nnn[n-]4)cc3oc2=O)cc1OC ZINC000004283264 204035912 /nfs/dbraw/zinc/03/59/12/204035912.db2.gz YTYIIPKSEJJKDN-UHFFFAOYSA-N -1 0 380.360 2.569 50 0 GFAARM CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC(=O)[O-])C3=O)cc1 ZINC000004808848 204077360 /nfs/dbraw/zinc/07/73/60/204077360.db2.gz RCDUDFNDSSEATL-UHFFFAOYSA-N -1 0 380.400 2.917 50 0 GFAARM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000004863144 204083060 /nfs/dbraw/zinc/08/30/60/204083060.db2.gz IPNTUDDADOYJGS-FUHWJXTLSA-N -1 0 381.819 2.972 50 0 GFAARM CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCCCC(=O)[O-] ZINC000005244329 204121136 /nfs/dbraw/zinc/12/11/36/204121136.db2.gz IKKAIHAASCJKLA-KRWDZBQOSA-N -1 0 393.871 2.567 50 0 GFAARM O=C([O-])c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)ccc1O ZINC000005348766 204127236 /nfs/dbraw/zinc/12/72/36/204127236.db2.gz FUONHCHWEQUHME-NVNXTCNLSA-N -1 0 398.396 2.765 50 0 GFAARM Cc1nn(-c2ccccc2)c2c1cc1c(=O)[n-]c(=O)nc-1n2-c1ccc(F)cc1 ZINC000005051068 204106841 /nfs/dbraw/zinc/10/68/41/204106841.db2.gz KHNGHJNIPNMDCX-UHFFFAOYSA-N -1 0 387.374 2.812 50 0 GFAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)c3ncn(C)c3c2c1 ZINC000006887458 204219854 /nfs/dbraw/zinc/21/98/54/204219854.db2.gz BJNCDWWPQZEUMA-UHFFFAOYSA-N -1 0 399.428 2.879 50 0 GFAARM C[C@@H]1CCCN(C(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C1 ZINC000006368673 204176219 /nfs/dbraw/zinc/17/62/19/204176219.db2.gz NECVLXJLTKVCDJ-CYBMUJFWSA-N -1 0 391.522 2.706 50 0 GFAARM Cc1cccc([C@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccccc2)n1 ZINC000006632560 204188152 /nfs/dbraw/zinc/18/81/52/204188152.db2.gz TVQINVQSUBQARO-IBGZPJMESA-N -1 0 394.456 2.850 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000006729315 204195720 /nfs/dbraw/zinc/19/57/20/204195720.db2.gz DEABHCWMQZVLQR-RBUKOAKNSA-N -1 0 391.431 2.544 50 0 GFAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)cn1C ZINC000006919490 204223477 /nfs/dbraw/zinc/22/34/77/204223477.db2.gz GIBSUWFSSBZLEZ-UHFFFAOYSA-N -1 0 387.255 2.765 50 0 GFAARM COc1ccccc1N1C(=O)[N-]C(=O)C(=C2C[C@@H](c3cccs3)NN2)C1=O ZINC000008995874 204297097 /nfs/dbraw/zinc/29/70/97/204297097.db2.gz YBSRHLWHGHTMAC-NVRAKJRWSA-N -1 0 384.417 2.673 50 0 GFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)Nc1nccs1 ZINC000009818189 204324707 /nfs/dbraw/zinc/32/47/07/204324707.db2.gz PWGJQHRHOLRQTN-UHFFFAOYSA-N -1 0 398.466 2.721 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000011866819 204359862 /nfs/dbraw/zinc/35/98/62/204359862.db2.gz SVYHFIUVFJSAER-OAVHHTNSSA-N -1 0 387.432 2.665 50 0 GFAARM CNC(=O)c1ccc(NC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000016204808 204593102 /nfs/dbraw/zinc/59/31/02/204593102.db2.gz WHPZPOPHXOZBPW-UHFFFAOYSA-N -1 0 396.422 2.544 50 0 GFAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000023078010 204797258 /nfs/dbraw/zinc/79/72/58/204797258.db2.gz VVNGEJPYZFRLCB-CHWSQXEVSA-N -1 0 380.491 2.798 50 0 GFAARM CCc1nn2c(nnc3c(=O)n(CCC(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040395922 205064339 /nfs/dbraw/zinc/06/43/39/205064339.db2.gz IITVHIRENRZCIS-UHFFFAOYSA-N -1 0 397.822 2.797 50 0 GFAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)COCc1ccccc1)CC2 ZINC000299282680 205072935 /nfs/dbraw/zinc/07/29/35/205072935.db2.gz WVYADIPNXKFDJZ-SFHVURJKSA-N -1 0 399.443 2.821 50 0 GFAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)COCc1ccccc1)CC2 ZINC000299282679 205073085 /nfs/dbraw/zinc/07/30/85/205073085.db2.gz WVYADIPNXKFDJZ-GOSISDBHSA-N -1 0 399.443 2.821 50 0 GFAARM COc1ccc(CNC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1C(=O)[O-] ZINC000299753511 205105622 /nfs/dbraw/zinc/10/56/22/205105622.db2.gz YJHMVCQGBOTIGM-QGZVFWFLSA-N -1 0 385.416 2.881 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1ccccc1 ZINC000299750072 205103147 /nfs/dbraw/zinc/10/31/47/205103147.db2.gz MPAFTLQPLOIQLY-MRXNPFEDSA-N -1 0 387.823 2.815 50 0 GFAARM Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(OCCn4cccn4)c3)cc12 ZINC000058224022 205169698 /nfs/dbraw/zinc/16/96/98/205169698.db2.gz WSWRZVNLWMMSMQ-UHFFFAOYSA-N -1 0 399.432 2.608 50 0 GFAARM Cc1cc(=O)c(C(=O)[N-]O[C@H]2CCCCO2)nn1-c1cccc(C(F)(F)F)c1 ZINC000058415961 205174342 /nfs/dbraw/zinc/17/43/42/205174342.db2.gz VWOMQTMYDONRBA-HNNXBMFYSA-N -1 0 397.353 2.748 50 0 GFAARM COc1cc(S(=O)(=O)N2CCc3ccc(Cl)cc32)cc(C(=O)[O-])c1OC ZINC000058495767 205176893 /nfs/dbraw/zinc/17/68/93/205176893.db2.gz GCBASCRGQSPUCH-UHFFFAOYSA-N -1 0 397.836 2.807 50 0 GFAARM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000064311608 205188489 /nfs/dbraw/zinc/18/84/89/205188489.db2.gz RGDHVOIRGLIZTE-HNNXBMFYSA-N -1 0 396.415 2.980 50 0 GFAARM CCCn1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c(=O)c2ccc(C)nc21 ZINC000064963844 205202874 /nfs/dbraw/zinc/20/28/74/205202874.db2.gz XIEPMBOWTIEOJT-UHFFFAOYSA-N -1 0 379.416 2.994 50 0 GFAARM CN1CCOc2ccc(NC(=O)C[C@H](CC(=O)[O-])c3cccs3)cc2C1=O ZINC000090607321 205273690 /nfs/dbraw/zinc/27/36/90/205273690.db2.gz VNEMOBBXGXVSDW-GFCCVEGCSA-N -1 0 388.445 2.800 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)[O-] ZINC000071335157 205284129 /nfs/dbraw/zinc/28/41/29/205284129.db2.gz HRIROBUYCMGIAW-LHSJRXKWSA-N -1 0 393.443 2.679 50 0 GFAARM COc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CC(c3ccc(OC)cc3)=NO2)cc1 ZINC000072403248 205345068 /nfs/dbraw/zinc/34/50/68/205345068.db2.gz JKEUUWOUQDAUCF-HXUWFJFHSA-N -1 0 384.388 2.680 50 0 GFAARM COc1ccccc1OC1(C(=O)[O-])CC[NH+](Cc2ccccc2C(=O)[O-])CC1 ZINC000082120060 205387494 /nfs/dbraw/zinc/38/74/94/205387494.db2.gz GARPLDPBKMNLIB-UHFFFAOYSA-N -1 0 385.416 2.892 50 0 GFAARM O=C(Nc1nncs1)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O ZINC000100630014 205609471 /nfs/dbraw/zinc/60/94/71/205609471.db2.gz UQGFOHCNHIVQCO-UHFFFAOYSA-N -1 0 378.413 2.859 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100563758 205610541 /nfs/dbraw/zinc/61/05/41/205610541.db2.gz HWABDGNIOJVAKM-HKUYNNGSSA-N -1 0 391.427 2.601 50 0 GFAARM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])nn1-c1ccc(Br)cc1 ZINC000237691532 205685816 /nfs/dbraw/zinc/68/58/16/205685816.db2.gz OLBHAQLTVDJTRD-CQSZACIVSA-N -1 0 378.226 2.632 50 0 GFAARM O=C([O-])CN(C(=O)c1cc(Br)ccc1Cl)C1CCOCC1 ZINC000238107522 205687642 /nfs/dbraw/zinc/68/76/42/205687642.db2.gz PORAVMLBILGEEA-UHFFFAOYSA-N -1 0 376.634 2.808 50 0 GFAARM O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCc2ccsc2)cc1 ZINC000223128435 205992217 /nfs/dbraw/zinc/99/22/17/205992217.db2.gz ZQFPPXRVTIGNES-IAGOWNOFSA-N -1 0 375.446 2.732 50 0 GFAARM CN1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccc(F)c(Cl)c2)CC1 ZINC000252510011 206142559 /nfs/dbraw/zinc/14/25/59/206142559.db2.gz ZACGPQOXINEQDK-CYBMUJFWSA-N -1 0 381.864 2.626 50 0 GFAARM COc1cc(S(=O)(=O)N2CCCc3cccc(F)c32)cc(C(=O)[O-])c1OC ZINC000055581131 132446934 /nfs/dbraw/zinc/44/69/34/132446934.db2.gz KQSZFNMHBMEFTH-UHFFFAOYSA-N -1 0 395.408 2.683 50 0 GFAARM CN(CCCC(=O)[O-])C(=O)/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000269119124 522720476 /nfs/dbraw/zinc/72/04/76/522720476.db2.gz GNVNVIRMIDLUQH-SNAWJCMRSA-N -1 0 384.226 2.557 50 0 GFAARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000000910331 551091641 /nfs/dbraw/zinc/09/16/41/551091641.db2.gz VHVIOEMKQICLHH-NTUHNPAUSA-N -1 0 387.189 2.639 50 0 GFAARM CC(C)CNC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000009828499 551103858 /nfs/dbraw/zinc/10/38/58/551103858.db2.gz MFAFZGVZGXAZRJ-UHFFFAOYSA-N -1 0 387.914 2.912 50 0 GFAARM CCc1ccc([C@H](CNS(=O)(=O)c2cc(C(=O)[O-])cs2)N(C)C)cc1 ZINC000013309922 551108890 /nfs/dbraw/zinc/10/88/90/551108890.db2.gz LXAYWFJXOAZETI-HNNXBMFYSA-N -1 0 382.507 2.590 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1Br ZINC000014185870 551110151 /nfs/dbraw/zinc/11/01/51/551110151.db2.gz PNSOUUDWOZLJPF-UHFFFAOYSA-N -1 0 386.223 2.957 50 0 GFAARM CCO[C@H](C)c1nc(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)cs1 ZINC000151799063 551421339 /nfs/dbraw/zinc/42/13/39/551421339.db2.gz YGSNPXSKGBPPKN-SECBINFHSA-N -1 0 390.433 2.946 50 0 GFAARM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@@H]2CCCc3cccc1c32 ZINC000161965104 551601339 /nfs/dbraw/zinc/60/13/39/551601339.db2.gz RHPMRRLJDGHEIL-WCQYABFASA-N -1 0 378.475 2.773 50 0 GFAARM Cc1nc(-c2cccc(C(=O)[N-]S(=O)(=O)C[C@@H]3CCCCO3)c2)cs1 ZINC000170645654 551636746 /nfs/dbraw/zinc/63/67/46/551636746.db2.gz IFEOARJZOFOWDE-HNNXBMFYSA-N -1 0 380.491 2.747 50 0 GFAARM O=C([O-])[C@H]1CCN(C(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000238085255 553085867 /nfs/dbraw/zinc/08/58/67/553085867.db2.gz VDLUMTZKBXNPOZ-VIFPVBQESA-N -1 0 383.267 2.925 50 0 GFAARM O=C([O-])[C@@H](NC(=O)c1cnn2c1CCCC2)c1ccccc1Br ZINC000659190613 565206005 /nfs/dbraw/zinc/20/60/05/565206005.db2.gz OYZYIKBQYDWKGF-AWEZNQCLSA-N -1 0 378.226 2.538 50 0 GFAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000000715255 570219690 /nfs/dbraw/zinc/21/96/90/570219690.db2.gz VOCNVRJXSJPINX-BQYQJAHWSA-N -1 0 389.429 2.553 50 0 GFAARM O=C1N[C@H](c2ccc(F)cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000000909168 570229457 /nfs/dbraw/zinc/22/94/57/570229457.db2.gz DJGDSNJZNRODIA-YWPYICTPSA-N -1 0 388.342 2.991 50 0 GFAARM O=C(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000917530 570229942 /nfs/dbraw/zinc/22/99/42/570229942.db2.gz VRQZMTHTKACLJR-UHFFFAOYSA-N -1 0 386.408 2.598 50 0 GFAARM O=C([O-])COCC(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc32)nc1 ZINC000001033972 570236613 /nfs/dbraw/zinc/23/66/13/570236613.db2.gz BXAHVWOMTYGHQU-UHFFFAOYSA-N -1 0 388.767 2.510 50 0 GFAARM CCCCc1c([O-])nc(SCCN2CCOCC2)n(-c2ccccc2)c1=O ZINC000020130774 570241590 /nfs/dbraw/zinc/24/15/90/570241590.db2.gz BQVUZGQZIQMNGM-UHFFFAOYSA-N -1 0 389.521 2.705 50 0 GFAARM COc1ccccc1NC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1 ZINC000018082364 570251150 /nfs/dbraw/zinc/25/11/50/570251150.db2.gz UMEFHODEENEJTJ-UHFFFAOYSA-N -1 0 382.445 2.759 50 0 GFAARM CCC(NCc1ccc2c(c1)OCO2)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000020330936 570252305 /nfs/dbraw/zinc/25/23/05/570252305.db2.gz FEUKIFCTVKIQLM-OBGWFSINSA-N -1 0 399.447 2.580 50 0 GFAARM CC(=O)N[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1c(F)cccc1F ZINC000236718424 570253942 /nfs/dbraw/zinc/25/39/42/570253942.db2.gz ZTHXNQCHVPWCOL-CZUORRHYSA-N -1 0 382.407 2.636 50 0 GFAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000236826257 570262972 /nfs/dbraw/zinc/26/29/72/570262972.db2.gz SZJPSLQMJNLSKZ-UXHICEINSA-N -1 0 378.428 2.763 50 0 GFAARM CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000001795946 570268721 /nfs/dbraw/zinc/26/87/21/570268721.db2.gz BAFBGNDGKMLCHH-SNVBAGLBSA-N -1 0 391.820 2.843 50 0 GFAARM CCOC(=O)[C@]([N-]c1nnc(C)s1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002050070 570272713 /nfs/dbraw/zinc/27/27/13/570272713.db2.gz BWULONIMNSSXFO-CQSZACIVSA-N -1 0 388.371 2.510 50 0 GFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2cc(F)cc(F)c21 ZINC000046454918 570272876 /nfs/dbraw/zinc/27/28/76/570272876.db2.gz BJOGSALNMVFNTA-UHFFFAOYSA-N -1 0 383.372 2.813 50 0 GFAARM COC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100909417 570278912 /nfs/dbraw/zinc/27/89/12/570278912.db2.gz OAQUZBGICZJULB-NVXWUHKLSA-N -1 0 397.818 2.556 50 0 GFAARM C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CC(=O)[O-])CC1 ZINC000237474409 570370887 /nfs/dbraw/zinc/37/08/87/570370887.db2.gz BMLRGWOTGQKEGK-NSHDSACASA-N -1 0 384.358 2.519 50 0 GFAARM Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237735699 570392527 /nfs/dbraw/zinc/39/25/27/570392527.db2.gz VHRWTJPZKVLFJM-AWEZNQCLSA-N -1 0 384.461 2.525 50 0 GFAARM Cc1c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000237760279 570394720 /nfs/dbraw/zinc/39/47/20/570394720.db2.gz KESTUDJPQXXUCF-AWEZNQCLSA-N -1 0 397.353 2.515 50 0 GFAARM O=C([O-])[C@H](Cc1ccn(Cc2ccccc2)n1)NC(=O)OCc1ccccc1 ZINC000025761688 570419122 /nfs/dbraw/zinc/41/91/22/570419122.db2.gz DHUVTQUENUPYMW-IBGZPJMESA-N -1 0 379.416 2.854 50 0 GFAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000238110266 570425278 /nfs/dbraw/zinc/42/52/78/570425278.db2.gz JMAAQFOKWOEMDM-MRXNPFEDSA-N -1 0 391.855 2.681 50 0 GFAARM COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CC2 ZINC000268880529 570432735 /nfs/dbraw/zinc/43/27/35/570432735.db2.gz DEFHSJCLNQXTIX-SUNYJGFJSA-N -1 0 387.457 2.960 50 0 GFAARM COc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(=O)[O-])cc2)cc1C ZINC000223148311 570447278 /nfs/dbraw/zinc/44/72/78/570447278.db2.gz QQDZDUGOMZRNLN-IEBWSBKVSA-N -1 0 385.416 2.668 50 0 GFAARM CCC(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1 ZINC000024153128 570463827 /nfs/dbraw/zinc/46/38/27/570463827.db2.gz XNPKDLYBFTVTHO-UHFFFAOYSA-N -1 0 391.445 2.796 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)cc1OC ZINC000268948290 570489383 /nfs/dbraw/zinc/48/93/83/570489383.db2.gz RDTDHBPDGSFUHU-OXJNMPFZSA-N -1 0 399.443 2.956 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000272073895 570678675 /nfs/dbraw/zinc/67/86/75/570678675.db2.gz ZWBMTTZYPZKESY-LLVKDONJSA-N -1 0 378.226 2.572 50 0 GFAARM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000913143 570725590 /nfs/dbraw/zinc/72/55/90/570725590.db2.gz YMQUVXMZUFZIES-UHFFFAOYSA-N -1 0 398.444 2.603 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(OC)cc1Cl ZINC000012884247 570726183 /nfs/dbraw/zinc/72/61/83/570726183.db2.gz FPYNDCPHLUQBRL-UHFFFAOYSA-N -1 0 396.852 2.677 50 0 GFAARM O=C(NC[C@H]1CCCO1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215694 570734448 /nfs/dbraw/zinc/73/44/48/570734448.db2.gz FEBNBQSRXKZXJQ-CQSZACIVSA-N -1 0 384.457 2.726 50 0 GFAARM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000013182462 570749900 /nfs/dbraw/zinc/74/99/00/570749900.db2.gz KKLAQJXGJKFKFJ-OAHLLOKOSA-N -1 0 389.404 2.667 50 0 GFAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000013258364 570752171 /nfs/dbraw/zinc/75/21/71/570752171.db2.gz NCGGATBBNSRLAU-AWEZNQCLSA-N -1 0 382.338 2.508 50 0 GFAARM CCN1CCCn2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2C1=O ZINC000065258800 570760853 /nfs/dbraw/zinc/76/08/53/570760853.db2.gz QDDDTGZCQORVMV-UHFFFAOYSA-N -1 0 385.848 2.947 50 0 GFAARM CCOC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc(C(=O)OCC)c1 ZINC000007050644 570764758 /nfs/dbraw/zinc/76/47/58/570764758.db2.gz DOVBQWPZXYTIRS-UHFFFAOYSA-N -1 0 377.418 2.841 50 0 GFAARM COCCCNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000012507913 570823615 /nfs/dbraw/zinc/82/36/15/570823615.db2.gz KCJDUPKVYWNSQN-UHFFFAOYSA-N -1 0 392.477 2.571 50 0 GFAARM COC(=O)c1ccc(-c2noc(-c3c([O-])c4ccccc4n(C)c3=O)n2)cc1 ZINC000101681254 570830433 /nfs/dbraw/zinc/83/04/33/570830433.db2.gz LLEJAZFDDPQVSD-UHFFFAOYSA-N -1 0 377.356 2.748 50 0 GFAARM Cc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2cccs2)cc1 ZINC000101801950 570834969 /nfs/dbraw/zinc/83/49/69/570834969.db2.gz ZXJWGEIXEJSZCF-UHFFFAOYSA-N -1 0 379.445 2.943 50 0 GFAARM COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(O)=C23)c1OC ZINC000102545325 570850661 /nfs/dbraw/zinc/85/06/61/570850661.db2.gz NCPIHPKANQWILO-QFBILLFUSA-N -1 0 380.400 2.613 50 0 GFAARM COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3SCC(=O)[O-])cc1 ZINC000103316264 570881022 /nfs/dbraw/zinc/88/10/22/570881022.db2.gz RAIPFMXXJBLVON-LJQANCHMSA-N -1 0 396.428 2.680 50 0 GFAARM O=C([O-])c1csc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)n1 ZINC000003768016 570883206 /nfs/dbraw/zinc/88/32/06/570883206.db2.gz XYLIBXOEELNSOD-UHFFFAOYSA-N -1 0 385.426 2.804 50 0 GFAARM COC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000103891304 570889951 /nfs/dbraw/zinc/88/99/51/570889951.db2.gz DQJCYEDLMBWMFG-NVXWUHKLSA-N -1 0 397.818 2.556 50 0 GFAARM CCN1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(OC)c2)CC1 ZINC000022458083 570896420 /nfs/dbraw/zinc/89/64/20/570896420.db2.gz LGQWGYQIGWJXSZ-MRXNPFEDSA-N -1 0 387.509 2.540 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000170638300 570939483 /nfs/dbraw/zinc/93/94/83/570939483.db2.gz SNQODTZDJFBIFN-QWHCGFSZSA-N -1 0 386.351 2.589 50 0 GFAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000017079104 570940030 /nfs/dbraw/zinc/94/00/30/570940030.db2.gz LAWMBLZJDPAHKU-UHFFFAOYSA-N -1 0 387.461 2.755 50 0 GFAARM C[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017080623 570940718 /nfs/dbraw/zinc/94/07/18/570940718.db2.gz MHEFNRBBYXDBKZ-NSHDSACASA-N -1 0 394.493 2.585 50 0 GFAARM CCCC[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000002097891 570941301 /nfs/dbraw/zinc/94/13/01/570941301.db2.gz YOLYINFGKPLKAG-INIZCTEOSA-N -1 0 375.421 2.802 50 0 GFAARM CCn1cc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3)c2)c(C)n1 ZINC000017081525 570941328 /nfs/dbraw/zinc/94/13/28/570941328.db2.gz OSADYWOVOAARJC-UHFFFAOYSA-N -1 0 398.488 2.942 50 0 GFAARM CCCc1cc(=O)oc2cc(OCC(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002099604 570941690 /nfs/dbraw/zinc/94/16/90/570941690.db2.gz ZSPSJLLQFDYRSV-UHFFFAOYSA-N -1 0 375.421 2.886 50 0 GFAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCCC(=O)[O-])ccc12 ZINC000002107761 570948654 /nfs/dbraw/zinc/94/86/54/570948654.db2.gz SNPXZLMZBFQGIK-CYBMUJFWSA-N -1 0 375.421 2.802 50 0 GFAARM COc1cc(N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)ncn1 ZINC000252515609 570983134 /nfs/dbraw/zinc/98/31/34/570983134.db2.gz MEHPVTAOIRMZBY-KBPBESRZSA-N -1 0 398.360 2.665 50 0 GFAARM CN(C)c1ccccc1C(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)[O-])C1 ZINC000095361656 571055534 /nfs/dbraw/zinc/05/55/34/571055534.db2.gz YHSZHSYPEJPRMI-KSFYIVLOSA-N -1 0 380.444 2.531 50 0 GFAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095527270 571091671 /nfs/dbraw/zinc/09/16/71/571091671.db2.gz RGTRBRUALWUHPU-UHFFFAOYSA-N -1 0 389.455 2.627 50 0 GFAARM O=C([O-])CSCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013321490 597095494 /nfs/dbraw/zinc/09/54/94/597095494.db2.gz ITKLBSAQXPPSMA-UHFFFAOYSA-N -1 0 384.501 2.738 50 0 GFAARM COc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)ccc1OC1CCCC1 ZINC000531748086 600958745 /nfs/dbraw/zinc/95/87/45/600958745.db2.gz HRVKKDFLAMCYHE-UHFFFAOYSA-N -1 0 377.437 2.722 50 0 GFAARM CCC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000003147866 654439162 /nfs/dbraw/zinc/43/91/62/654439162.db2.gz UDNQRDMPKDAWOE-LLVKDONJSA-N -1 0 398.699 2.894 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020574751 654524834 /nfs/dbraw/zinc/52/48/34/654524834.db2.gz DZBIKWQLOIWUMV-UHFFFAOYSA-N -1 0 397.865 2.961 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1Cl ZINC000020574753 654524990 /nfs/dbraw/zinc/52/49/90/654524990.db2.gz WYMSFVPGWQNQCA-UHFFFAOYSA-N -1 0 397.865 2.961 50 0 GFAARM O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000623000 203841858 /nfs/dbraw/zinc/84/18/58/203841858.db2.gz NZLZHGMARVZMOL-UHFFFAOYSA-N -1 0 389.458 2.961 50 0 GFAARM COc1ccc(-c2nc3c(nc([O-])n(C)c3=O)n2CCc2ccccc2)cc1 ZINC000018270702 203828842 /nfs/dbraw/zinc/82/88/42/203828842.db2.gz REWRHLBPIPJDIY-UHFFFAOYSA-N -1 0 376.416 2.754 50 0 GFAARM CC(C)[C@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000002949818 203976301 /nfs/dbraw/zinc/97/63/01/203976301.db2.gz IEWONSUFAFFPGT-DNXIFWLFSA-N -1 0 390.823 2.929 50 0 GFAARM COc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000004317331 204037730 /nfs/dbraw/zinc/03/77/30/204037730.db2.gz FFOMMEHLEJTDOI-UHFFFAOYSA-N -1 0 382.445 2.907 50 0 GFAARM O=C([O-])CCCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000003655124 204017041 /nfs/dbraw/zinc/01/70/41/204017041.db2.gz JXGROMBXKMNTNI-UHFFFAOYSA-N -1 0 380.369 2.862 50 0 GFAARM COc1cc([C@H](CC(=O)[O-])CC(=O)Nc2cc(C)on2)cc(OC)c1OC ZINC000004377519 204042677 /nfs/dbraw/zinc/04/26/77/204042677.db2.gz NIJNUYAEFGRWCS-LBPRGKRZSA-N -1 0 378.381 2.596 50 0 GFAARM O=C([O-])c1cc(Br)ccc1OCC(=O)NCCc1ccccc1 ZINC000004811013 204076805 /nfs/dbraw/zinc/07/68/05/204076805.db2.gz ZHGPPJWOCCBCMH-UHFFFAOYSA-N -1 0 378.222 2.885 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1OC ZINC000004484021 204046651 /nfs/dbraw/zinc/04/66/51/204046651.db2.gz LJEKQFDDYGNFRU-MOPGFXCFSA-N -1 0 394.431 2.814 50 0 GFAARM COC(=O)[C@@]([N-]c1nccs1)(NC(=O)c1ccc(F)cc1)C(F)(F)F ZINC000004602494 204056868 /nfs/dbraw/zinc/05/68/68/204056868.db2.gz JSCGWCQRZPZDGY-ZDUSSCGKSA-N -1 0 377.319 2.556 50 0 GFAARM COc1cn(-c2ccccc2)nc1C(=O)OCc1nc(=O)c2sccc2[n-]1 ZINC000005267356 204123068 /nfs/dbraw/zinc/12/30/68/204123068.db2.gz PLZDVXHUNQUPOS-UHFFFAOYSA-N -1 0 382.401 2.536 50 0 GFAARM O=C([O-])c1scc(I)c1I ZINC000005045721 204105552 /nfs/dbraw/zinc/10/55/52/204105552.db2.gz DFODTRYHCRLKBY-UHFFFAOYSA-N -1 0 379.944 2.656 50 0 GFAARM O=c1nc(CSc2nnnn2-c2ccc(Cl)cc2)[n-]c2ccsc21 ZINC000006034996 204162875 /nfs/dbraw/zinc/16/28/75/204162875.db2.gz JXBNQALFBGTRJO-UHFFFAOYSA-N -1 0 376.854 2.906 50 0 GFAARM Cc1cccc2c1nc1s/c(=C\c3cn(CC(=O)[O-])c4ccccc34)c(=O)n21 ZINC000005533535 204138866 /nfs/dbraw/zinc/13/88/66/204138866.db2.gz RUTILLMJZKOJOR-MFOYZWKCSA-N -1 0 389.436 2.805 50 0 GFAARM O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccccc2)s1)C1CCCCC1 ZINC000006817760 204211376 /nfs/dbraw/zinc/21/13/76/204211376.db2.gz PWNCFQQBMCQXNQ-UHFFFAOYSA-N -1 0 380.495 2.535 50 0 GFAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000006471303 204179994 /nfs/dbraw/zinc/17/99/94/204179994.db2.gz JAYWKQZZSHFXLK-UHFFFAOYSA-N -1 0 399.266 2.748 50 0 GFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1nccs1 ZINC000009821785 204324289 /nfs/dbraw/zinc/32/42/89/204324289.db2.gz KDNBHIUJAMZRFF-UHFFFAOYSA-N -1 0 380.476 2.582 50 0 GFAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000140246354 204858072 /nfs/dbraw/zinc/85/80/72/204858072.db2.gz UMXPKWDBDQIKKK-UHFFFAOYSA-N -1 0 388.370 2.967 50 0 GFAARM O=C([O-])[C@@H](c1c[nH]c2cc(CO)ccc21)N1CCN(Cc2cccs2)CC1 ZINC000036357995 205013775 /nfs/dbraw/zinc/01/37/75/205013775.db2.gz DPFZWLZZPKAXDY-LJQANCHMSA-N -1 0 385.489 2.665 50 0 GFAARM COCCCn1c2nc(-c3cccs3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617292 205018442 /nfs/dbraw/zinc/01/84/42/205018442.db2.gz PMBRYUODBBTQRB-UHFFFAOYSA-N -1 0 377.447 2.917 50 0 GFAARM O=C(CCc1ccccc1Cl)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268460 205079809 /nfs/dbraw/zinc/07/98/09/205079809.db2.gz WMFHBIWWEJVFIM-UHFFFAOYSA-N -1 0 381.837 2.549 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1cc(Cl)ccc1Cl ZINC000042268366 205080586 /nfs/dbraw/zinc/08/05/86/205080586.db2.gz XUYUOEZAGTUMLQ-UHFFFAOYSA-N -1 0 388.228 2.883 50 0 GFAARM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000299747018 205098872 /nfs/dbraw/zinc/09/88/72/205098872.db2.gz BVSFNULQCSVVPH-JTQLQIEISA-N -1 0 376.236 2.853 50 0 GFAARM O=C([O-])C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(F)cc1 ZINC000299746463 205098458 /nfs/dbraw/zinc/09/84/58/205098458.db2.gz XOYKZURYRWKWBL-GOEBONIOSA-N -1 0 388.420 2.961 50 0 GFAARM Cc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1C ZINC000299751816 205105764 /nfs/dbraw/zinc/10/57/64/205105764.db2.gz RWZZPWWCRCTFLY-KRWDZBQOSA-N -1 0 381.428 2.850 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000299753943 205105793 /nfs/dbraw/zinc/10/57/93/205105793.db2.gz ZYCIBRWLEDWYJE-BNOWGMLFSA-N -1 0 378.860 2.588 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CCO1 ZINC000299752613 205106808 /nfs/dbraw/zinc/10/68/08/205106808.db2.gz UTUSSHLZFYBDQD-UFYCRDLUSA-N -1 0 381.428 2.681 50 0 GFAARM CC(C)C[C@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)[O-] ZINC000049549492 205128784 /nfs/dbraw/zinc/12/87/84/205128784.db2.gz ACRVWJBJGNXGDC-IBGZPJMESA-N -1 0 393.443 2.679 50 0 GFAARM COCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])o1 ZINC000299745952 205100621 /nfs/dbraw/zinc/10/06/21/205100621.db2.gz UGEWFWIFLRBTIM-OAHLLOKOSA-N -1 0 389.404 2.658 50 0 GFAARM CC(=O)Nc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1F ZINC000045946530 205100959 /nfs/dbraw/zinc/10/09/59/205100959.db2.gz ODBBCQUJWAHYJT-UHFFFAOYSA-N -1 0 380.397 2.900 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000299750188 205103297 /nfs/dbraw/zinc/10/32/97/205103297.db2.gz MTFGNFOWZDAMCY-HNNXBMFYSA-N -1 0 383.429 2.769 50 0 GFAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC000299750005 205103624 /nfs/dbraw/zinc/10/36/24/205103624.db2.gz MJBYBJMVUBVVMT-LJQANCHMSA-N -1 0 382.391 2.754 50 0 GFAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N1CC=C(n2c(=O)[nH]c3ccccc32)CC1 ZINC000055414374 205148947 /nfs/dbraw/zinc/14/89/47/205148947.db2.gz ZCKLDAKUXZLQPO-IBGZPJMESA-N -1 0 397.406 2.850 50 0 GFAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000057279486 205155045 /nfs/dbraw/zinc/15/50/45/205155045.db2.gz MWMUWRRVFDTSBZ-UHFFFAOYSA-N -1 0 387.465 2.786 50 0 GFAARM Cc1c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc(C(=O)N2CCCC2)n1C ZINC000064922146 205200837 /nfs/dbraw/zinc/20/08/37/205200837.db2.gz JEVCOXVYRSOJFO-UHFFFAOYSA-N -1 0 379.457 2.818 50 0 GFAARM O=C([O-])c1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)c1 ZINC000064959262 205202823 /nfs/dbraw/zinc/20/28/23/205202823.db2.gz HJAFHJFZFLLXMR-GFCCVEGCSA-N -1 0 392.367 2.831 50 0 GFAARM Cc1cccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)c1C ZINC000065128855 205211886 /nfs/dbraw/zinc/21/18/86/205211886.db2.gz RXVWKZXAXKWGKY-UHFFFAOYSA-N -1 0 375.475 2.926 50 0 GFAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2OC)cc1 ZINC000064837126 205196777 /nfs/dbraw/zinc/19/67/77/205196777.db2.gz NWGCWNPWFYGESX-UHFFFAOYSA-N -1 0 385.445 2.809 50 0 GFAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2)c(C)n1C ZINC000064863130 205198187 /nfs/dbraw/zinc/19/81/87/205198187.db2.gz CIXOMPDBAPPUAH-UHFFFAOYSA-N -1 0 396.465 2.637 50 0 GFAARM CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3CC(=O)[O-])c(OCC)c1C ZINC000065528370 205236874 /nfs/dbraw/zinc/23/68/74/205236874.db2.gz BZBDFMKLGYZGSW-AWEZNQCLSA-N -1 0 387.436 2.856 50 0 GFAARM O=c1[n-]c(Cc2nc(CCc3ccccc3)nn2-c2ccc(Cl)cc2)n[nH]1 ZINC000067935310 205268477 /nfs/dbraw/zinc/26/84/77/205268477.db2.gz JSMCQEZGEIFVOF-UHFFFAOYSA-N -1 0 380.839 2.708 50 0 GFAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-n2ccc(-c3ccco3)n2)c1 ZINC000071776499 205297635 /nfs/dbraw/zinc/29/76/35/205297635.db2.gz AGWBLEJSQXBAOJ-UHFFFAOYSA-N -1 0 375.406 2.517 50 0 GFAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(F)cc2)c1C(=O)NC1CCC(C)CC1 ZINC000072329901 205326591 /nfs/dbraw/zinc/32/65/91/205326591.db2.gz DXBMDZIAUREVNH-UHFFFAOYSA-N -1 0 394.472 2.967 50 0 GFAARM Cc1cc(C)cc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000072146798 205309991 /nfs/dbraw/zinc/30/99/91/205309991.db2.gz FVSHSDSTNMTAPE-UHFFFAOYSA-N -1 0 388.489 2.605 50 0 GFAARM Cc1cc(NC(=O)c2nccnc2C(=O)[O-])nn1Cc1ccc(F)cc1Cl ZINC000072401232 205343608 /nfs/dbraw/zinc/34/36/08/205343608.db2.gz HVTQMEXMYFDLGM-UHFFFAOYSA-N -1 0 389.774 2.773 50 0 GFAARM COc1ccc(NC(=O)C[C@]2(C(=O)[O-])CC(c3ccc(OC)cc3)=NO2)cc1 ZINC000072403247 205345147 /nfs/dbraw/zinc/34/51/47/205345147.db2.gz JKEUUWOUQDAUCF-FQEVSTJZSA-N -1 0 384.388 2.680 50 0 GFAARM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(CC4CCCCC4)[nH]n3)cc12 ZINC000079106540 205381658 /nfs/dbraw/zinc/38/16/58/205381658.db2.gz DRSGCNQJSVGDTB-UHFFFAOYSA-N -1 0 388.497 2.923 50 0 GFAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c2oc1=O ZINC000006417466 205776646 /nfs/dbraw/zinc/77/66/46/205776646.db2.gz DXOPKKWFXXMZGM-XJKSGUPXSA-N -1 0 375.421 2.711 50 0 GFAARM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ncoc1-c1ccccc1Cl ZINC000170645650 205860202 /nfs/dbraw/zinc/86/02/02/205860202.db2.gz FGZUFUCHEIFDEB-NSHDSACASA-N -1 0 384.841 2.624 50 0 GFAARM CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cccc(C(=O)[O-])c1 ZINC000013062185 205885666 /nfs/dbraw/zinc/88/56/66/205885666.db2.gz VNZXMADYFBHLOW-UHFFFAOYSA-N -1 0 391.474 2.694 50 0 GFAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)c1 ZINC000064976626 206105914 /nfs/dbraw/zinc/10/59/14/206105914.db2.gz GUWKCHUEWRDLEL-UHFFFAOYSA-N -1 0 379.869 2.948 50 0 GFAARM O=S(=O)([N-]c1cnn([C@@H]2CCOC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000096123264 206119785 /nfs/dbraw/zinc/11/97/85/206119785.db2.gz ABIHQTQKQZEGHY-LLVKDONJSA-N -1 0 377.344 2.544 50 0 GFAARM COc1cncc([C@@H](NC(=O)c2cc(=O)c3cccc(F)c3[n-]2)[C@H]2C[C@H](O)C2)c1 ZINC000253534867 206149300 /nfs/dbraw/zinc/14/93/00/206149300.db2.gz MYOAYRIALDOUKP-BLWXERESSA-N -1 0 397.406 2.725 50 0 GFAARM O=C(CCc1cc(=O)[n-]o1)NCc1cccnc1N1CCc2ccccc2C1 ZINC000067676142 136164858 /nfs/dbraw/zinc/16/48/58/136164858.db2.gz FWYIQTOQDZUDJV-UHFFFAOYSA-N -1 0 378.432 2.587 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCOc3ccccc32)ccc1Br ZINC000071804309 136166639 /nfs/dbraw/zinc/16/66/39/136166639.db2.gz YNBIZUFCODTJGB-UHFFFAOYSA-N -1 0 398.234 2.735 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)nc(N2CCOCC2)n1 ZINC000095944119 136182648 /nfs/dbraw/zinc/18/26/48/136182648.db2.gz RNVFICWDTUGSAB-UHFFFAOYSA-N -1 0 396.538 2.781 50 0 GFAARM Cc1ccc2nc(COc3ccccc3C(=O)N3CC[C@@H](C(=O)[O-])C3)cn2c1 ZINC000178269430 534506700 /nfs/dbraw/zinc/50/67/00/534506700.db2.gz SZTHPSHMXWUJTP-OAHLLOKOSA-N -1 0 379.416 2.768 50 0 GFAARM Cc1ccc2nc(COc3ccccc3C(=O)N3CC[C@H](C(=O)[O-])C3)cn2c1 ZINC000178269414 534507073 /nfs/dbraw/zinc/50/70/73/534507073.db2.gz SZTHPSHMXWUJTP-HNNXBMFYSA-N -1 0 379.416 2.768 50 0 GFAARM Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000006352410 551098798 /nfs/dbraw/zinc/09/87/98/551098798.db2.gz FOOUKIQORRZFQJ-UHFFFAOYSA-N -1 0 394.927 2.761 50 0 GFAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)NCc1ccccc1 ZINC000009762019 551104056 /nfs/dbraw/zinc/10/40/56/551104056.db2.gz UYTPILZXVUJJHL-UHFFFAOYSA-N -1 0 395.893 2.860 50 0 GFAARM CCc1nnc([N-]S(=O)(=O)c2cc(Br)ccc2OC)s1 ZINC000011615522 551107204 /nfs/dbraw/zinc/10/72/04/551107204.db2.gz RVOZVSCYRPLKNI-UHFFFAOYSA-N -1 0 378.273 2.672 50 0 GFAARM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)s1 ZINC000115921321 551210431 /nfs/dbraw/zinc/21/04/31/551210431.db2.gz XYWAEALJJFZSAO-ZETCQYMHSA-N -1 0 386.882 2.855 50 0 GFAARM COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237116781 553074753 /nfs/dbraw/zinc/07/47/53/553074753.db2.gz ZTOFSTFDTSNCPP-ZIAGYGMSSA-N -1 0 384.270 2.577 50 0 GFAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CCO1 ZINC000238196309 553086688 /nfs/dbraw/zinc/08/66/88/553086688.db2.gz IRHAQXVWCUPIMV-GFCCVEGCSA-N -1 0 380.853 2.708 50 0 GFAARM COc1cc(OC)c([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC ZINC000002121628 560186458 /nfs/dbraw/zinc/18/64/58/560186458.db2.gz UCESPARULGXJHG-FOIQADDNSA-N -1 0 382.416 2.882 50 0 biogenic,in-vitro GFAARM CO[C@](C)(C(=O)[O-])C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000663034533 565393204 /nfs/dbraw/zinc/39/32/04/565393204.db2.gz GZEXKFZBDKGJGN-WFASDCNBSA-N -1 0 380.199 2.522 50 0 GFAARM CC(C)(C(=O)[O-])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000649454211 565761510 /nfs/dbraw/zinc/76/15/10/565761510.db2.gz AQGHSDJHTINONL-UHFFFAOYSA-N -1 0 397.269 2.737 50 0 GFAARM O=C1N[C@H](c2ccc(O)cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000001464595 570230930 /nfs/dbraw/zinc/23/09/30/570230930.db2.gz JIAMXIWSZJUDBV-JMSVASOKSA-N -1 0 386.351 2.558 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000001064345 570239892 /nfs/dbraw/zinc/23/98/92/570239892.db2.gz FBUKDUYRGVGEHW-UHFFFAOYSA-N -1 0 394.880 2.922 50 0 GFAARM CCc1ccc(-n2c(=O)[nH]c([O-])c(Cc3ccc(OC)c(OC)c3)c2=O)cc1 ZINC000001067809 570240336 /nfs/dbraw/zinc/24/03/36/570240336.db2.gz CLCFTJMOSFZBJZ-INIZCTEOSA-N -1 0 382.416 2.708 50 0 GFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(O)cc3)cc2)n1 ZINC000001174024 570253701 /nfs/dbraw/zinc/25/37/01/570253701.db2.gz ZNJKOKZLPNVQBZ-UHFFFAOYSA-N -1 0 398.444 2.852 50 0 GFAARM O=C1c2cc([N-]S(=O)(=O)c3cccnc3)ccc2OCC[C@@H]2CCCCN12 ZINC000049030399 570260806 /nfs/dbraw/zinc/26/08/06/570260806.db2.gz HHOCUKQIEGKDFR-HNNXBMFYSA-N -1 0 387.461 2.660 50 0 GFAARM Cc1cc(C)nc([N-]c2nc(C(=O)N3CCN(c4ccccn4)CC3)cs2)n1 ZINC000049032300 570261348 /nfs/dbraw/zinc/26/13/48/570261348.db2.gz PSJGVTHGVVDUSJ-UHFFFAOYSA-N -1 0 395.492 2.651 50 0 GFAARM Cc1ccc(CNC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)o1 ZINC000015826822 570267921 /nfs/dbraw/zinc/26/79/21/570267921.db2.gz NUCYGSODQAUIQP-GFCCVEGCSA-N -1 0 375.450 2.643 50 0 GFAARM NC(=O)[C@@H]1CCCN1[C@H](C(=O)[O-])c1c[nH]c2ccc(OCc3ccccc3)cc21 ZINC000020715698 570275615 /nfs/dbraw/zinc/27/56/15/570275615.db2.gz QPDFYGBRIGZVIP-PMACEKPBSA-N -1 0 393.443 2.822 50 0 GFAARM COC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100909422 570278926 /nfs/dbraw/zinc/27/89/26/570278926.db2.gz OAQUZBGICZJULB-WBVHZDCISA-N -1 0 397.818 2.556 50 0 GFAARM COc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)cc1OC ZINC000100921519 570279193 /nfs/dbraw/zinc/27/91/93/570279193.db2.gz FWGYURUXFDLZLW-UHFFFAOYSA-N -1 0 380.400 2.923 50 0 GFAARM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000002858396 570310723 /nfs/dbraw/zinc/31/07/23/570310723.db2.gz SXGPNCHPNUTKSZ-UHFFFAOYSA-N -1 0 378.475 2.876 50 0 GFAARM CCOc1ccc(-c2nnc(CCC(=O)NCCc3cccs3)c(=O)[n-]2)cc1 ZINC000034762931 570333021 /nfs/dbraw/zinc/33/30/21/570333021.db2.gz MDMLHSFPPFVBGP-UHFFFAOYSA-N -1 0 398.488 2.996 50 0 GFAARM COc1ccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)cc1 ZINC000004853645 570348338 /nfs/dbraw/zinc/34/83/38/570348338.db2.gz SJOSWMIZGXDMSM-UHFFFAOYSA-N -1 0 395.437 2.676 50 0 GFAARM CCOc1ccc(S(=O)(=O)Nc2cnc(N(CC)CC)c(C(=O)[O-])c2)cc1 ZINC000035397665 570348990 /nfs/dbraw/zinc/34/89/90/570348990.db2.gz KBUMMYDVAQHUNG-UHFFFAOYSA-N -1 0 393.465 2.826 50 0 GFAARM O=C([O-])C1(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000118959778 570377140 /nfs/dbraw/zinc/37/71/40/570377140.db2.gz RZYAEOYRYADFMP-LBPRGKRZSA-N -1 0 375.812 2.961 50 0 GFAARM COc1cccc(C([O-])=CC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000100523233 570383047 /nfs/dbraw/zinc/38/30/47/570383047.db2.gz QEYXGZDLQKKYJR-UHFFFAOYSA-N -1 0 387.388 2.502 50 0 GFAARM COc1ccccc1CN(C)c1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000024528900 570385194 /nfs/dbraw/zinc/38/51/94/570385194.db2.gz ZRSBERLFBAXHFR-UHFFFAOYSA-N -1 0 384.461 2.922 50 0 GFAARM O=C([O-])[C@H](c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21)N1CCOCC1 ZINC000031810185 570386154 /nfs/dbraw/zinc/38/61/54/570386154.db2.gz NMBVFSKTEVIAMW-IBGZPJMESA-N -1 0 379.416 2.878 50 0 GFAARM Cn1c(C(=O)N(CC(=O)[O-])C2CCOCC2)cc2cc(C(F)(F)F)ccc21 ZINC000237708946 570402708 /nfs/dbraw/zinc/40/27/08/570402708.db2.gz RNPMCMHOYCHYSR-UHFFFAOYSA-N -1 0 384.354 2.903 50 0 GFAARM CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000004374639 570421264 /nfs/dbraw/zinc/42/12/64/570421264.db2.gz WXNZFFSZSNBGJP-UHFFFAOYSA-N -1 0 384.251 2.968 50 0 GFAARM CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1c(F)cccc1F ZINC000236685916 570427255 /nfs/dbraw/zinc/42/72/55/570427255.db2.gz ZTHXNQCHVPWCOL-BBRMVZONSA-N -1 0 382.407 2.636 50 0 GFAARM C[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000005961443 570463331 /nfs/dbraw/zinc/46/33/31/570463331.db2.gz BJJSPDHIKYCUPO-STQMWFEESA-N -1 0 381.384 2.817 50 0 GFAARM O=C([N-]O[C@H]1CCCCO1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000120232228 570473392 /nfs/dbraw/zinc/47/33/92/570473392.db2.gz OTXNQEYIEJOCFM-SFHVURJKSA-N -1 0 379.416 2.633 50 0 GFAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000001211408 570535218 /nfs/dbraw/zinc/53/52/18/570535218.db2.gz ZGYADKBYZJTQPG-KRWDZBQOSA-N -1 0 394.383 2.663 50 0 GFAARM CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3C(=O)[O-])sc2c1 ZINC000002911205 570538937 /nfs/dbraw/zinc/53/89/37/570538937.db2.gz SNKNZVJZVMRVNZ-UHFFFAOYSA-N -1 0 376.415 2.650 50 0 GFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)N1CCCCC1)c2=O ZINC000012416137 570669809 /nfs/dbraw/zinc/66/98/09/570669809.db2.gz STICWIXQFQEKIB-UHFFFAOYSA-N -1 0 389.477 2.638 50 0 GFAARM CN(Cc1ccccc1)C(=O)Cn1c([O-])nc2c(-c3ccccc3)c[nH]c2c1=O ZINC000033037957 570674136 /nfs/dbraw/zinc/67/41/36/570674136.db2.gz PMRPVSAEIGGCPA-UHFFFAOYSA-N -1 0 388.427 2.756 50 0 GFAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000004345488 570679908 /nfs/dbraw/zinc/67/99/08/570679908.db2.gz AWMCKERDBHLFKB-ODLFYWEKSA-N -1 0 399.410 2.851 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cnc(OC)nc2N2CCCC2)c(C)c1C ZINC000206731066 570739524 /nfs/dbraw/zinc/73/95/24/570739524.db2.gz OQGUMXRMPVLPRA-UHFFFAOYSA-N -1 0 392.481 2.512 50 0 GFAARM CCOc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc(Br)c1OC ZINC000013170854 570749696 /nfs/dbraw/zinc/74/96/96/570749696.db2.gz RLQHWTNNMPZSNV-SNVBAGLBSA-N -1 0 386.242 2.793 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1C(=O)[O-] ZINC000372021375 570765854 /nfs/dbraw/zinc/76/58/54/570765854.db2.gz IWBTVTILVRRKAN-OAHLLOKOSA-N -1 0 390.823 2.951 50 0 GFAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CC12CCOCC2)c1ccc(Br)cc1 ZINC000170066331 570799424 /nfs/dbraw/zinc/79/94/24/570799424.db2.gz ZFCBUZYFESATAV-KBPBESRZSA-N -1 0 382.254 2.898 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000170091709 570805193 /nfs/dbraw/zinc/80/51/93/570805193.db2.gz XDURUSXDDGFTMN-HNNXBMFYSA-N -1 0 385.351 2.853 50 0 GFAARM Cc1ccc(NC(=O)c2nnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2)cc1 ZINC000101353382 570819769 /nfs/dbraw/zinc/81/97/69/570819769.db2.gz RSWLFTAREAHWCY-INIZCTEOSA-N -1 0 375.388 2.822 50 0 GFAARM CCOc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc1 ZINC000101762063 570832964 /nfs/dbraw/zinc/83/29/64/570832964.db2.gz BUVPRLWJKINLMK-INIZCTEOSA-N -1 0 398.463 2.585 50 0 GFAARM COc1ccc(NCc2cc(=O)n3nc(-c4cccs4)[n-]c3n2)c(OC)c1 ZINC000101842085 570833487 /nfs/dbraw/zinc/83/34/87/570833487.db2.gz ZSGMGDYQGOQXNH-UHFFFAOYSA-N -1 0 383.433 2.775 50 0 GFAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000373031803 570835958 /nfs/dbraw/zinc/83/59/58/570835958.db2.gz YNVHVWJXJCWVCM-BXKDBHETSA-N -1 0 391.777 2.656 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(F)c4)c=3c2=O)c1 ZINC000102819715 570865853 /nfs/dbraw/zinc/86/58/53/570865853.db2.gz KPDSLVOUPNFQGY-DLBZAZTESA-N -1 0 384.367 2.649 50 0 GFAARM Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3SCC(=O)[O-])cc1 ZINC000103316256 570880990 /nfs/dbraw/zinc/88/09/90/570880990.db2.gz QXBKQLWOPCQQBM-LJQANCHMSA-N -1 0 380.429 2.980 50 0 GFAARM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnco3)c2)C1(C)C ZINC000159041723 570882308 /nfs/dbraw/zinc/88/23/08/570882308.db2.gz TYZXZUYETJRMTI-LSDHHAIUSA-N -1 0 375.450 2.780 50 0 GFAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000042792421 570893776 /nfs/dbraw/zinc/89/37/76/570893776.db2.gz IHTAYPVUGARFDA-UHFFFAOYSA-N -1 0 390.339 2.830 50 0 GFAARM C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000089895264 570918285 /nfs/dbraw/zinc/91/82/85/570918285.db2.gz JVBQWQIDXLGCHL-CZUORRHYSA-N -1 0 394.518 2.924 50 0 GFAARM Cc1ccc([C@H]2NC(=O)N[C@@H](c3ccc(C)cc3)C23C(=O)[N-]C(=O)NC3=O)cc1 ZINC000017086900 570941714 /nfs/dbraw/zinc/94/17/14/570941714.db2.gz LLJSRJURUFTWMF-IYBDPMFKSA-N -1 0 392.415 2.591 50 0 GFAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1 ZINC000237764594 570944621 /nfs/dbraw/zinc/94/46/21/570944621.db2.gz OIKRWSKRYDJDAW-DOMZBBRYSA-N -1 0 388.855 2.922 50 0 GFAARM COC(=O)c1ccccc1N(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000012733739 570977756 /nfs/dbraw/zinc/97/77/56/570977756.db2.gz GMXHMQGIJXQRLQ-UHFFFAOYSA-N -1 0 377.418 2.613 50 0 GFAARM O=C([O-])[C@H](Cc1ccc(O)cc1)n1cc(-c2cnc(-c3ccco3)nc2)nn1 ZINC000095382101 571068085 /nfs/dbraw/zinc/06/80/85/571068085.db2.gz KDVZUOIXYWILDI-INIZCTEOSA-N -1 0 377.360 2.569 50 0 GFAARM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(C(=O)CCc3cccs3)C[C@H]21 ZINC000095530224 571092861 /nfs/dbraw/zinc/09/28/61/571092861.db2.gz MFUNMXPDLSXHGQ-FOIQADDNSA-N -1 0 387.457 2.779 50 0 GFAARM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000095425081 600065312 /nfs/dbraw/zinc/06/53/12/600065312.db2.gz HUGMGBHZPFGQQK-BUHFOSPRSA-N -1 0 382.416 2.942 50 0 GFAARM Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1C(=O)[O-] ZINC000232756673 600766289 /nfs/dbraw/zinc/76/62/89/600766289.db2.gz FRFJGSFUQNPKLM-INIZCTEOSA-N -1 0 394.518 2.870 50 0 GFAARM CCOc1cc2c(cc1/C=C/C(=O)N(CC(=O)[O-])C1CCOCC1)O[C@@H](C)C2 ZINC000328594997 600957152 /nfs/dbraw/zinc/95/71/52/600957152.db2.gz ICPCRSPDHVTYHA-NNTXTVRGSA-N -1 0 389.448 2.514 50 0 GFAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000191051559 602036415 /nfs/dbraw/zinc/03/64/15/602036415.db2.gz GDOAEKXKLXIJBG-AWEZNQCLSA-N -1 0 379.766 2.879 50 0 GFAARM Cc1cccc(SC2CCN(C(=O)NC3(C(=O)[O-])CCOCC3)CC2)c1 ZINC000426477460 231224542 /nfs/dbraw/zinc/22/45/42/231224542.db2.gz WNJCNZDDWSJAEM-UHFFFAOYSA-N -1 0 378.494 2.895 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000025664461 203784682 /nfs/dbraw/zinc/78/46/82/203784682.db2.gz VFBACQGDAHTASH-PVAVHDDUSA-N -1 0 378.469 2.943 50 0 GFAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc2ncc(Br)cn2n1 ZINC000002793331 203963030 /nfs/dbraw/zinc/96/30/30/203963030.db2.gz GHLILXWQVHXGHP-UHFFFAOYSA-N -1 0 375.182 2.751 50 0 GFAARM C[C@H]1CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])C[C@H](C)O1 ZINC000004297031 204036904 /nfs/dbraw/zinc/03/69/04/204036904.db2.gz WRAPDKKJWYYHSI-KBPBESRZSA-N -1 0 390.461 2.799 50 0 GFAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000004289722 204036967 /nfs/dbraw/zinc/03/69/67/204036967.db2.gz CPDQGPLRAMPDEC-CYBMUJFWSA-N -1 0 390.461 2.787 50 0 GFAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000004029324 204024082 /nfs/dbraw/zinc/02/40/82/204024082.db2.gz GHMQBBFTIOVPQJ-LRDDRELGSA-N -1 0 375.421 2.738 50 0 GFAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)cc1NC(C)=O ZINC000004742169 204072478 /nfs/dbraw/zinc/07/24/78/204072478.db2.gz NEHHSAMDDWOZCT-UHFFFAOYSA-N -1 0 392.433 2.631 50 0 GFAARM CC(C)CCN1C(=O)c2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000004808295 204076561 /nfs/dbraw/zinc/07/65/61/204076561.db2.gz CPDCCYUMCNLXRU-UHFFFAOYSA-N -1 0 394.427 2.957 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000004570196 204054545 /nfs/dbraw/zinc/05/45/45/204054545.db2.gz KOLBRFBVUPJOQV-UHFFFAOYSA-N -1 0 392.864 2.985 50 0 GFAARM O=C([O-])CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000004676887 204063356 /nfs/dbraw/zinc/06/33/56/204063356.db2.gz KECSIUYPOBCMOK-UHFFFAOYSA-N -1 0 384.251 2.725 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000005246854 204121728 /nfs/dbraw/zinc/12/17/28/204121728.db2.gz HDXIWDLBQWZULX-COXVUDFISA-N -1 0 390.480 2.964 50 0 GFAARM CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000004941341 204095157 /nfs/dbraw/zinc/09/51/57/204095157.db2.gz KMKIXUXCIIBRJX-UHFFFAOYSA-N -1 0 390.461 2.741 50 0 GFAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1cc(F)ccc1F ZINC000006918578 204224065 /nfs/dbraw/zinc/22/40/65/204224065.db2.gz FQJUXWPYHCNWET-UHFFFAOYSA-N -1 0 383.401 2.807 50 0 GFAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000007421772 204240837 /nfs/dbraw/zinc/24/08/37/204240837.db2.gz JJTUEVZLVHESFC-UHFFFAOYSA-N -1 0 391.417 2.801 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCO2)c1 ZINC000007989340 204257745 /nfs/dbraw/zinc/25/77/45/204257745.db2.gz BAHJHGDRWLESCA-SFHVURJKSA-N -1 0 390.461 2.922 50 0 GFAARM Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000008751028 204288803 /nfs/dbraw/zinc/28/88/03/204288803.db2.gz IWANRLTUPQRSHC-UHFFFAOYSA-N -1 0 396.509 2.999 50 0 GFAARM CCOC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)N(C)C)C(F)(F)F ZINC000008995491 204297483 /nfs/dbraw/zinc/29/74/83/204297483.db2.gz NKIOLFUPJBJTGM-CQSZACIVSA-N -1 0 390.387 2.801 50 0 GFAARM CCOc1ccc2nc([N-][C@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000009109420 204297878 /nfs/dbraw/zinc/29/78/78/204297878.db2.gz KXWCCYHBXGCBIV-CQSZACIVSA-N -1 0 391.371 2.675 50 0 GFAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c(C)n1C ZINC000009684865 204319337 /nfs/dbraw/zinc/31/93/37/204319337.db2.gz HBQQGQULGGWHRY-UHFFFAOYSA-N -1 0 375.494 2.987 50 0 GFAARM CS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)c1 ZINC000013258978 204485649 /nfs/dbraw/zinc/48/56/49/204485649.db2.gz DVQLCTTWGQXACS-OAHLLOKOSA-N -1 0 381.837 2.689 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)c1 ZINC000023125751 204797504 /nfs/dbraw/zinc/79/75/04/204797504.db2.gz JPSSDIFFXCRXLR-HZPDHXFCSA-N -1 0 386.795 2.855 50 0 GFAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cc(Cl)c[nH]1)CC2 ZINC000299410588 205079245 /nfs/dbraw/zinc/07/92/45/205079245.db2.gz QGKHETCTPGJIIC-CQSZACIVSA-N -1 0 378.812 2.900 50 0 GFAARM O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)[N-]S(=O)(=O)c1cccs1 ZINC000042243111 205080545 /nfs/dbraw/zinc/08/05/45/205080545.db2.gz NTZXYOOWDBVOTM-ONEGZZNKSA-N -1 0 385.850 2.691 50 0 GFAARM COc1ccc(CNC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1C(=O)[O-] ZINC000299753451 205106366 /nfs/dbraw/zinc/10/63/66/205106366.db2.gz YGEGAJGHJTXGDK-HXUWFJFHSA-N -1 0 396.443 2.763 50 0 GFAARM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1C(=O)N1CCCC1 ZINC000048355100 205120776 /nfs/dbraw/zinc/12/07/76/205120776.db2.gz DFRLHLJRFCKNPB-UHFFFAOYSA-N -1 0 386.473 2.967 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)cc1C(=O)[O-] ZINC000299750246 205104360 /nfs/dbraw/zinc/10/43/60/205104360.db2.gz NAMVTZIMLIWQKD-NSHDSACASA-N -1 0 392.358 2.576 50 0 GFAARM COc1ccc2c(C)c(C(=O)Nc3c(C)nn(CC(=O)[O-])c3C)oc2c1OC ZINC000055120468 205143349 /nfs/dbraw/zinc/14/33/49/205143349.db2.gz RRXGBQYUZLKJAY-UHFFFAOYSA-N -1 0 387.392 2.909 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccnn3C)cs2)cc1OC ZINC000065112329 205210832 /nfs/dbraw/zinc/21/08/32/205210832.db2.gz CWSIWLOINSQMHP-UHFFFAOYSA-N -1 0 379.463 2.967 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2c1OCCO2 ZINC000065647579 205239194 /nfs/dbraw/zinc/23/91/94/205239194.db2.gz ZJZYJPVMLKDPKS-UHFFFAOYSA-N -1 0 387.335 2.595 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc2c1OCCO2 ZINC000065644007 205239213 /nfs/dbraw/zinc/23/92/13/205239213.db2.gz QBNGANITABTAQC-UHFFFAOYSA-N -1 0 387.335 2.595 50 0 GFAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)C2 ZINC000067673531 205255538 /nfs/dbraw/zinc/25/55/38/205255538.db2.gz UAHZNWLVBAMPFA-LLVKDONJSA-N -1 0 377.828 2.607 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)[O-] ZINC000071335152 205282643 /nfs/dbraw/zinc/28/26/43/205282643.db2.gz HRIROBUYCMGIAW-QKKBWIMNSA-N -1 0 393.443 2.679 50 0 GFAARM O=S(=O)([N-]c1nccs1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000072312999 205323326 /nfs/dbraw/zinc/32/33/26/205323326.db2.gz ZXCVTFAKPQDEIN-UHFFFAOYSA-N -1 0 395.487 2.745 50 0 GFAARM O=C([O-])c1cc(-c2ccc(F)cc2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000072149121 205310731 /nfs/dbraw/zinc/31/07/31/205310731.db2.gz KXVSDOJPDQSSFL-UHFFFAOYSA-N -1 0 381.450 2.928 50 0 GFAARM Cc1cc(C)n2nc(C(=O)N3CC[C@H](Cc4ccc(C(=O)[O-])cc4)C3)cc2n1 ZINC000072432261 205350946 /nfs/dbraw/zinc/35/09/46/205350946.db2.gz MVOGJHRBDVITOO-MRXNPFEDSA-N -1 0 378.432 2.749 50 0 GFAARM Cc1nc(C)c(C(=O)N2CCC(C(=O)[O-])(n3ccc(C(C)(C)C)n3)CC2)s1 ZINC000072410182 205347352 /nfs/dbraw/zinc/34/73/52/205347352.db2.gz HDYLRCYUPFSVIJ-UHFFFAOYSA-N -1 0 390.509 2.970 50 0 GFAARM Cn1c(CCC(=O)N2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)nc2cccnc21 ZINC000072410966 205347929 /nfs/dbraw/zinc/34/79/29/205347929.db2.gz BXECFUJQJQXYSF-INIZCTEOSA-N -1 0 392.459 2.690 50 0 GFAARM Cc1ccc(-n2[n-]c(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc2=O)cc1 ZINC000078903190 205378107 /nfs/dbraw/zinc/37/81/07/205378107.db2.gz DUISDSCSCJCGOL-UHFFFAOYSA-N -1 0 387.443 2.649 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccccc2C)cc1 ZINC000096361259 205563705 /nfs/dbraw/zinc/56/37/05/205563705.db2.gz BKTHLEFQNBCHQW-UHFFFAOYSA-N -1 0 384.461 2.757 50 0 GFAARM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100563687 205607100 /nfs/dbraw/zinc/60/71/00/205607100.db2.gz IPNTUDDADOYJGS-SJLPKXTDSA-N -1 0 381.819 2.972 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000100889768 205613574 /nfs/dbraw/zinc/61/35/74/205613574.db2.gz FQJXTMSMRXNBOF-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N[C@H](C)[C@H]3CCOC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237346712 205680664 /nfs/dbraw/zinc/68/06/64/205680664.db2.gz ISRIKHAUGJGJAT-DYVFJYSZSA-N -1 0 385.464 2.661 50 0 GFAARM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000237279805 205681001 /nfs/dbraw/zinc/68/10/01/205681001.db2.gz HRYFPMRHNKMMQK-GFCCVEGCSA-N -1 0 378.837 2.977 50 0 GFAARM Cc1cc(C)nc([N-]c2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)n1 ZINC000049029470 205668586 /nfs/dbraw/zinc/66/85/86/205668586.db2.gz VGSSPHGTWNWJHV-UHFFFAOYSA-N -1 0 397.460 2.881 50 0 GFAARM CSCC[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000006762811 205782183 /nfs/dbraw/zinc/78/21/83/205782183.db2.gz JQOCZYXSNHPMAR-AATZCTEQSA-N -1 0 398.484 2.780 50 0 GFAARM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000000944060 205805676 /nfs/dbraw/zinc/80/56/76/205805676.db2.gz UMFNHXMDTFOYNW-CQSZACIVSA-N -1 0 384.251 2.943 50 0 GFAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@@H]1C(=O)[O-])OC(C)(C)CC3 ZINC000025108344 205979182 /nfs/dbraw/zinc/97/91/82/205979182.db2.gz QLJJENPTFPHHGW-MRXNPFEDSA-N -1 0 399.443 2.823 50 0 GFAARM CC(C)[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)c1nc2ccccc2n1C(C)C ZINC000253609802 206210202 /nfs/dbraw/zinc/21/02/02/206210202.db2.gz YSCZOWXBCLDNLC-QGZVFWFLSA-N -1 0 398.467 2.660 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000136157094 206220200 /nfs/dbraw/zinc/22/02/00/206220200.db2.gz SVXQUEFEPFQFEX-NSHDSACASA-N -1 0 378.226 2.572 50 0 GFAARM CCOc1cc(C(=O)N[C@H]2C[C@@H](OCC)C23CCC3)ccc1OCC(=O)[O-] ZINC000268939134 520668343 /nfs/dbraw/zinc/66/83/43/520668343.db2.gz IRPYGNMPBMJQTN-DLBZAZTESA-N -1 0 377.437 2.626 50 0 GFAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)C2=Cc3ccccc3OC=C2)C1 ZINC000426575039 534512303 /nfs/dbraw/zinc/51/23/03/534512303.db2.gz ONXSQICMVHOYOF-QGZVFWFLSA-N -1 0 379.416 2.663 50 0 GFAARM COc1cc(CCC(=O)N2CCC[C@H]2C(=O)[O-])ccc1OCC(F)(F)F ZINC000262716712 522325445 /nfs/dbraw/zinc/32/54/45/522325445.db2.gz SBRJCKSUWDCCLG-LBPRGKRZSA-N -1 0 375.343 2.645 50 0 GFAARM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3F)cc21 ZINC000021756746 536765059 /nfs/dbraw/zinc/76/50/59/536765059.db2.gz RGTLTYZCACAHEF-UHFFFAOYSA-N -1 0 378.425 2.552 50 0 GFAARM NC(=O)CSc1ccccc1NC(=O)CSc1ccccc1C(=O)[O-] ZINC000012978301 551108283 /nfs/dbraw/zinc/10/82/83/551108283.db2.gz YQNGFRBRIUDPQT-UHFFFAOYSA-N -1 0 376.459 2.693 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CSC)c1 ZINC000022699248 551118408 /nfs/dbraw/zinc/11/84/08/551118408.db2.gz RWHUJPWHKVMRDZ-UHFFFAOYSA-N -1 0 382.463 2.503 50 0 GFAARM O=S(=O)([N-]c1ccc(I)cc1)c1cncc(F)c1 ZINC000044261339 551143450 /nfs/dbraw/zinc/14/34/50/551143450.db2.gz XOWGJTYVTHUGMN-UHFFFAOYSA-N -1 0 378.166 2.626 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCc3ccccc3CC2)cc(F)c1Cl ZINC000156510309 551524003 /nfs/dbraw/zinc/52/40/03/551524003.db2.gz ZCMITFJBIHJKIP-UHFFFAOYSA-N -1 0 383.828 2.967 50 0 GFAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)c2ccc(F)c(COC(C)C)c2)s1 ZINC000170650475 551636963 /nfs/dbraw/zinc/63/69/63/551636963.db2.gz DOFPLMCKVBNNMB-UHFFFAOYSA-N -1 0 386.470 2.943 50 0 GFAARM CC(C)n1cc(Br)cc1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000236686535 553070323 /nfs/dbraw/zinc/07/03/23/553070323.db2.gz ORQBBWISBGMVGT-ZDUSSCGKSA-N -1 0 387.274 2.927 50 0 GFAARM Cc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)nn1-c1ccc(Br)cc1 ZINC000237709613 553081036 /nfs/dbraw/zinc/08/10/36/553081036.db2.gz GXJCFGDLQMTJGY-KRWDZBQOSA-N -1 0 392.253 2.880 50 0 GFAARM O=C([O-])CN(C(=O)c1cc2c(cc(Br)cc2F)[nH]1)C1CCOCC1 ZINC000238112303 553086285 /nfs/dbraw/zinc/08/62/85/553086285.db2.gz BZEYVLNDSPGGPT-UHFFFAOYSA-N -1 0 399.216 2.775 50 0 GFAARM O=C([O-])CN(C(=O)c1ccc(Br)cc1Cl)C1CCOCC1 ZINC000238108479 553086412 /nfs/dbraw/zinc/08/64/12/553086412.db2.gz WZGVDTUUAVZBEY-UHFFFAOYSA-N -1 0 376.634 2.808 50 0 GFAARM O=c1c2occc2ccn1CCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000238836339 553086886 /nfs/dbraw/zinc/08/68/86/553086886.db2.gz GUIRSOYOFXKOMS-UHFFFAOYSA-N -1 0 387.244 2.880 50 0 GFAARM Cc1nccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Br ZINC000653543099 565971982 /nfs/dbraw/zinc/97/19/82/565971982.db2.gz CKQKDLDMTWZWMQ-INTQDDNPSA-N -1 0 384.274 2.831 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000000643442 570213721 /nfs/dbraw/zinc/21/37/21/570213721.db2.gz VLGIULJGFQCSOS-UHFFFAOYSA-N -1 0 389.477 2.974 50 0 GFAARM COC(=O)c1ccsc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019882046 570227386 /nfs/dbraw/zinc/22/73/86/570227386.db2.gz WMAAEQAZPQEDAX-LBPRGKRZSA-N -1 0 391.426 2.657 50 0 GFAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000098212475 570264171 /nfs/dbraw/zinc/26/41/71/570264171.db2.gz MQNMSQFOYXDPNX-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002100661 570274592 /nfs/dbraw/zinc/27/45/92/570274592.db2.gz WONDFFZYEUQHTE-SGTLLEGYSA-N -1 0 375.421 2.738 50 0 GFAARM CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002136458 570275536 /nfs/dbraw/zinc/27/55/36/570275536.db2.gz CNRLKUDBZCXBMB-UHFFFAOYSA-N -1 0 398.535 2.803 50 0 GFAARM Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002872841 570314064 /nfs/dbraw/zinc/31/40/64/570314064.db2.gz QLIYBLHMJPGGPW-UHFFFAOYSA-N -1 0 378.435 2.801 50 0 GFAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(c2ncccn2)CC1 ZINC000032947199 570324258 /nfs/dbraw/zinc/32/42/58/570324258.db2.gz WWOMTLWAHFFDSB-UHFFFAOYSA-N -1 0 383.452 2.630 50 0 GFAARM COc1cc2c(cc1NC(=O)CCn1[n-]c(=O)ccc1=O)oc1ccccc12 ZINC000023132117 570345766 /nfs/dbraw/zinc/34/57/66/570345766.db2.gz UCKQPGYFGITDDS-UHFFFAOYSA-N -1 0 379.372 2.886 50 0 GFAARM COC(=O)C[C@H](c1ccc(F)c(Cl)c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205973895 570357059 /nfs/dbraw/zinc/35/70/59/570357059.db2.gz XNFUMMZYDMGHNR-LLVKDONJSA-N -1 0 376.771 2.888 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)c(Br)o1 ZINC000115753082 570377183 /nfs/dbraw/zinc/37/71/83/570377183.db2.gz KSUZZVWBRITFSP-IUCAKERBSA-N -1 0 378.244 2.694 50 0 GFAARM O=C([O-])[C@H]1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)C1 ZINC000238136334 570427039 /nfs/dbraw/zinc/42/70/39/570427039.db2.gz LMNRQMBFKVEXBH-HNNXBMFYSA-N -1 0 379.416 2.548 50 0 GFAARM COc1ccc(CCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(OC)c1OC ZINC000240540875 570431062 /nfs/dbraw/zinc/43/10/62/570431062.db2.gz GPWLENJHLDOFTK-XHSDSOJGSA-N -1 0 391.464 2.889 50 0 GFAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)c(F)cc1F ZINC000072277401 570462543 /nfs/dbraw/zinc/46/25/43/570462543.db2.gz GCRAIVVAQQBPON-UHFFFAOYSA-N -1 0 375.324 2.700 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000268959629 570493859 /nfs/dbraw/zinc/49/38/59/570493859.db2.gz XGYOKSGNVWCOIR-LPHOPBHVSA-N -1 0 378.428 2.616 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cnc1Br ZINC000097370315 570500373 /nfs/dbraw/zinc/50/03/73/570500373.db2.gz KFJOBGLWTBWMJK-UHFFFAOYSA-N -1 0 396.266 2.838 50 0 GFAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000006624312 570508753 /nfs/dbraw/zinc/50/87/53/570508753.db2.gz GHMDLZFWKVUJMA-UHFFFAOYSA-N -1 0 387.432 2.891 50 0 GFAARM COCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000022688493 570526914 /nfs/dbraw/zinc/52/69/14/570526914.db2.gz JLYUCYVDFGJADS-UHFFFAOYSA-N -1 0 396.415 2.691 50 0 GFAARM COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCC2 ZINC000008587393 570535041 /nfs/dbraw/zinc/53/50/41/570535041.db2.gz OUCRFAZNEIMTLM-UHFFFAOYSA-N -1 0 379.869 2.960 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1C ZINC000005329639 570554924 /nfs/dbraw/zinc/55/49/24/570554924.db2.gz FVERVCHNOOKXTQ-UHFFFAOYSA-N -1 0 390.461 2.940 50 0 GFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000000844015 570647659 /nfs/dbraw/zinc/64/76/59/570647659.db2.gz DUIMJHGQWFVERX-UHFFFAOYSA-N -1 0 376.434 2.631 50 0 GFAARM Cc1oc(CNC(=O)[C@@H]2CCCN2c2ncnc3sccc32)cc1C(=O)[O-] ZINC000262902293 570699666 /nfs/dbraw/zinc/69/96/66/570699666.db2.gz BPETVBPCOOJHRK-AWEZNQCLSA-N -1 0 386.433 2.576 50 0 GFAARM COc1cc(NC(=O)CSc2nnc(C3CC3)n2C)c(Cl)cc1C(=O)[O-] ZINC000013273168 570752725 /nfs/dbraw/zinc/75/27/25/570752725.db2.gz JBRJXPQDLPIKGI-UHFFFAOYSA-N -1 0 396.856 2.784 50 0 GFAARM CC(=NN=C1NC(=O)[C@@H](CC(=O)[O-])S1)c1cccc(NC(=O)C(C)C)c1 ZINC000001098956 570753072 /nfs/dbraw/zinc/75/30/72/570753072.db2.gz GZIVPOOBUFGINE-CYBMUJFWSA-N -1 0 376.438 2.908 50 0 GFAARM Cc1cc(=O)n2c(-c3ccc([N-]S(=O)(=O)c4cccnc4)cc3)csc2n1 ZINC000011696423 570797520 /nfs/dbraw/zinc/79/75/20/570797520.db2.gz CRTFYSBBVLEFMC-UHFFFAOYSA-N -1 0 398.469 2.927 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1 ZINC000101260380 570817530 /nfs/dbraw/zinc/81/75/30/570817530.db2.gz XYLVGSUPRTWEDO-IRXDYDNUSA-N -1 0 384.367 2.649 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1OC ZINC000101418194 570822685 /nfs/dbraw/zinc/82/26/85/570822685.db2.gz JXQMVERQSGIIMI-QZTJIDSGSA-N -1 0 380.404 2.506 50 0 GFAARM O=C(NCCc1ccccn1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000012521070 570827901 /nfs/dbraw/zinc/82/79/01/570827901.db2.gz MKUMMTDXJLBZCE-UHFFFAOYSA-N -1 0 387.486 2.916 50 0 GFAARM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000012521125 570828033 /nfs/dbraw/zinc/82/80/33/570828033.db2.gz YKFAXEIRGAHAOS-UHFFFAOYSA-N -1 0 388.898 2.829 50 0 GFAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000016294359 570921577 /nfs/dbraw/zinc/92/15/77/570921577.db2.gz QADZZZIOWJHBAT-UONOGXRCSA-N -1 0 394.855 2.642 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(=O)NC1CCCCC1 ZINC000000645327 570930003 /nfs/dbraw/zinc/93/00/03/570930003.db2.gz AOFRDDHCAXPJLX-UHFFFAOYSA-N -1 0 389.477 2.954 50 0 GFAARM O=C([O-])COCC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000017080624 570940969 /nfs/dbraw/zinc/94/09/69/570940969.db2.gz RJBGFKOEEAIZAB-UHFFFAOYSA-N -1 0 394.493 2.729 50 0 GFAARM CCC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)N1CCc2sccc2C1 ZINC000236883893 570943788 /nfs/dbraw/zinc/94/37/88/570943788.db2.gz UIAPKTPJRICGOW-MRXNPFEDSA-N -1 0 386.473 2.930 50 0 GFAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000238013152 570945145 /nfs/dbraw/zinc/94/51/45/570945145.db2.gz BTDFASSEYOFPND-CJNGLKHVSA-N -1 0 378.856 2.796 50 0 GFAARM Cc1c2ccc(OCC(=O)NCCC(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000002145991 570971190 /nfs/dbraw/zinc/97/11/90/570971190.db2.gz LUESWCNVQRWLSN-UHFFFAOYSA-N -1 0 395.411 2.662 50 0 GFAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCO3)cc1Cl ZINC000015674676 571041422 /nfs/dbraw/zinc/04/14/22/571041422.db2.gz TXBPLJAPQXMRMQ-UHFFFAOYSA-N -1 0 398.868 2.987 50 0 GFAARM COc1ccc(-c2ncc(C(=O)N(CC(=O)[O-])C3CCOCC3)s2)cc1 ZINC000531748330 600959024 /nfs/dbraw/zinc/95/90/24/600959024.db2.gz XFFNWFOJJKTGAJ-UHFFFAOYSA-N -1 0 376.434 2.525 50 0 GFAARM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cncc(C(=O)[O-])c2)c1 ZINC000630119882 605110172 /nfs/dbraw/zinc/11/01/72/605110172.db2.gz XCRBGGAITCYBLO-UHFFFAOYSA-N -1 0 376.434 2.745 50 0 GFAARM CN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)c2cc(Br)cnc21 ZINC000794876168 658629911 /nfs/dbraw/zinc/62/99/11/658629911.db2.gz CHLDMOIZKLMPIT-NSIKDUERSA-N -1 0 389.205 2.825 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004794506 206227978 /nfs/dbraw/zinc/22/79/78/206227978.db2.gz VFBACQGDAHTASH-OIISXLGYSA-N -1 0 378.469 2.943 50 0 GFAARM COc1ccc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1C(=O)[O-] ZINC000013393234 206246916 /nfs/dbraw/zinc/24/69/16/206246916.db2.gz GYUBTUVQCOQWPB-UHFFFAOYSA-N -1 0 391.807 2.677 50 0 GFAARM O=c1[n-][nH]c(=O)c2c1nc(SCc1ccccc1F)n2Cc1ccccc1 ZINC000001598441 206387059 /nfs/dbraw/zinc/38/70/59/206387059.db2.gz KNPNZGIUDBEIDZ-UHFFFAOYSA-N -1 0 382.420 2.893 50 0 GFAARM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1C ZINC000001234545 206369393 /nfs/dbraw/zinc/36/93/93/206369393.db2.gz WBHTZLYCQDAESO-UHFFFAOYSA-N -1 0 390.461 2.976 50 0 GFAARM CCc1cc(=O)oc2c(C)c(OCC(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002093176 206398645 /nfs/dbraw/zinc/39/86/45/206398645.db2.gz ZPYRZXMWIFVLIQ-UHFFFAOYSA-N -1 0 375.421 2.804 50 0 GFAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](CCC)C(=O)[O-])ccc12 ZINC000002107439 206399323 /nfs/dbraw/zinc/39/93/23/206399323.db2.gz ZHIQLSFZHQGMGB-MRXNPFEDSA-N -1 0 375.421 2.884 50 0 GFAARM CCOC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000002800799 206436670 /nfs/dbraw/zinc/43/66/70/206436670.db2.gz OYLVGIGKUABSTN-CVEARBPZSA-N -1 0 391.420 2.870 50 0 GFAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000004760118 206552497 /nfs/dbraw/zinc/55/24/97/206552497.db2.gz SLQMUASKUOLVIO-OALUTQOASA-N -1 0 396.443 2.600 50 0 GFAARM COc1ccc(C(=O)N[C@@]2(C(F)(F)F)[N-]c3nc4ccccc4n3C2=O)cc1 ZINC000005209962 206599777 /nfs/dbraw/zinc/59/97/77/206599777.db2.gz AFPSQQWYWOLPLW-QGZVFWFLSA-N -1 0 390.321 2.799 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000005900044 206633063 /nfs/dbraw/zinc/63/30/63/206633063.db2.gz MXSZJCOMTCLHPI-NYYWCZLTSA-N -1 0 378.837 2.817 50 0 GFAARM CSCC[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000005919089 206633578 /nfs/dbraw/zinc/63/35/78/206633578.db2.gz LADXZDSXBOYKEA-INIZCTEOSA-N -1 0 398.440 2.741 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1 ZINC000008289915 206744490 /nfs/dbraw/zinc/74/44/90/206744490.db2.gz ISLKYRILFAZELW-UHFFFAOYSA-N -1 0 397.456 2.821 50 0 GFAARM COc1cc2oc(=O)c(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)c(C)c2cc1Cl ZINC000009341047 206784138 /nfs/dbraw/zinc/78/41/38/206784138.db2.gz IIEBYYVBEXDRHE-LLVKDONJSA-N -1 0 393.823 2.629 50 0 GFAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cn2ccc(C)cc2n1 ZINC000014376028 207020728 /nfs/dbraw/zinc/02/07/28/207020728.db2.gz TYHSLIPAUHQBLL-UHFFFAOYSA-N -1 0 381.461 2.993 50 0 GFAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000016156654 207072863 /nfs/dbraw/zinc/07/28/63/207072863.db2.gz MZVADKMZIYEOBN-OQLLNIDSSA-N -1 0 382.372 2.543 50 0 GFAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000020714866 207210875 /nfs/dbraw/zinc/21/08/75/207210875.db2.gz IEZAEEIXOBBCBF-INIZCTEOSA-N -1 0 377.416 2.985 50 0 GFAARM Cc1nc2[n-]c(N3C(=O)c4ccccc4C3=O)nn2c(=O)c1Cc1ccccc1 ZINC000021171395 207228929 /nfs/dbraw/zinc/22/89/29/207228929.db2.gz KPUMAQCNWLTQNN-UHFFFAOYSA-N -1 0 385.383 2.530 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000024576148 207291910 /nfs/dbraw/zinc/29/19/10/207291910.db2.gz HPZYSXOLIIWQRT-UHFFFAOYSA-N -1 0 391.430 2.918 50 0 GFAARM O=C([O-])CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 ZINC000027640260 207328893 /nfs/dbraw/zinc/32/88/93/207328893.db2.gz LYXKJZCRLQWIIN-OMIHVFMZSA-N -1 0 388.460 2.750 50 0 in-vitro GFAARM O=C([O-])c1cccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)cnn32)c1 ZINC000035685044 207500503 /nfs/dbraw/zinc/50/05/03/207500503.db2.gz LNODAEADSBBYIY-MRXNPFEDSA-N -1 0 394.362 2.909 50 0 GFAARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 ZINC000042272786 207624709 /nfs/dbraw/zinc/62/47/09/207624709.db2.gz WKRIALYQEVPFKZ-UHFFFAOYSA-N -1 0 391.832 2.824 50 0 GFAARM Cc1oc(CN(C)C(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1C(=O)[O-] ZINC000299747474 207661614 /nfs/dbraw/zinc/66/16/14/207661614.db2.gz DCSYDTGLVQPPSH-UHFFFAOYSA-N -1 0 379.796 2.912 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000299749102 207667936 /nfs/dbraw/zinc/66/79/36/207667936.db2.gz JFZLRGIZSAYXNZ-FQEVSTJZSA-N -1 0 375.428 2.843 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000299753946 207675262 /nfs/dbraw/zinc/67/52/62/207675262.db2.gz ZYCIBRWLEDWYJE-YUTCNCBUSA-N -1 0 378.860 2.588 50 0 GFAARM Cc1ccoc1C(=O)N1CCc2c(c(C(=O)[O-])nn2CCCc2cccnc2)C1 ZINC000067688530 207899150 /nfs/dbraw/zinc/89/91/50/207899150.db2.gz ALTPTWPXASWEOC-UHFFFAOYSA-N -1 0 394.431 2.709 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O)C(=O)[O-] ZINC000071328971 207935838 /nfs/dbraw/zinc/93/58/38/207935838.db2.gz UIMQDGMXAOTCGB-QKKBWIMNSA-N -1 0 393.443 2.679 50 0 GFAARM Cn1cc(C(=O)[O-])c(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)n1 ZINC000078699064 208063316 /nfs/dbraw/zinc/06/33/16/208063316.db2.gz CCNAREPHUUMPCF-UHFFFAOYSA-N -1 0 375.381 2.725 50 0 GFAARM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2c(F)cccc2-n2cccn2)c1 ZINC000078953828 208067152 /nfs/dbraw/zinc/06/71/52/208067152.db2.gz ATKHSTDXEWXJMP-UHFFFAOYSA-N -1 0 379.344 2.650 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)Cn2ccnc2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000091793530 208138443 /nfs/dbraw/zinc/13/84/43/208138443.db2.gz AQNQXSJPBJZFNR-RBUKOAKNSA-N -1 0 375.428 2.877 50 0 GFAARM C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000089895257 208112259 /nfs/dbraw/zinc/11/22/59/208112259.db2.gz JVBQWQIDXLGCHL-BBRMVZONSA-N -1 0 394.518 2.924 50 0 GFAARM CC(C)(C)C(=O)NCCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000095425466 208180880 /nfs/dbraw/zinc/18/08/80/208180880.db2.gz JQPSQPIZZKBZJI-SFHVURJKSA-N -1 0 384.476 2.752 50 0 GFAARM CCOC(=O)c1nc([C@@H](OC(=O)c2cc(C(C)C)nn2C)c2ccccc2)n[n-]1 ZINC000095447822 208182988 /nfs/dbraw/zinc/18/29/88/208182988.db2.gz QPBQDXFKRCRWGB-INIZCTEOSA-N -1 0 397.435 2.785 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1 ZINC000100033412 208370920 /nfs/dbraw/zinc/37/09/20/208370920.db2.gz VVVXZNLHLIXOLA-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM CC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100074409 208371367 /nfs/dbraw/zinc/37/13/67/208371367.db2.gz FDNWFVRBCSOHLB-AEFFLSMTSA-N -1 0 381.819 2.972 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1Cl ZINC000100036734 208371907 /nfs/dbraw/zinc/37/19/07/208371907.db2.gz OJUPUFGIEMIFIK-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1OC ZINC000101418191 208393667 /nfs/dbraw/zinc/39/36/67/208393667.db2.gz JXQMVERQSGIIMI-ROUUACIJSA-N -1 0 380.404 2.506 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(C)cc4)c=3c2=O)cc1OC ZINC000101418209 208393709 /nfs/dbraw/zinc/39/37/09/208393709.db2.gz IQIDBTPSMGTYLJ-MSOLQXFVSA-N -1 0 380.404 2.506 50 0 GFAARM Cc1noc(CCC(=O)[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 ZINC000133278906 208476571 /nfs/dbraw/zinc/47/65/71/208476571.db2.gz YTZOAHKMHGKELR-UHFFFAOYSA-N -1 0 377.466 2.863 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000002153214 208500534 /nfs/dbraw/zinc/50/05/34/208500534.db2.gz PAAMQQBUSSMOMF-ZMZPIMSZSA-N -1 0 375.421 2.658 50 0 GFAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C1 ZINC000008732509 208725886 /nfs/dbraw/zinc/72/58/86/208725886.db2.gz AIDOMEYLQHNIHH-LBPRGKRZSA-N -1 0 388.807 2.795 50 0 GFAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCC[C@H]43)C2=O)cc1 ZINC000229958802 209003823 /nfs/dbraw/zinc/00/38/23/209003823.db2.gz PTKLITULSWPWCX-PGRDOPGGSA-N -1 0 375.428 2.994 50 0 GFAARM COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000096116304 209010831 /nfs/dbraw/zinc/01/08/31/209010831.db2.gz OZBVDCMBJLXETK-INIZCTEOSA-N -1 0 380.400 2.687 50 0 GFAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC000096124201 209012656 /nfs/dbraw/zinc/01/26/56/209012656.db2.gz FTSYQSAGWLNMJZ-UHFFFAOYSA-N -1 0 375.406 2.737 50 0 GFAARM O=C([O-])C[C@H]1CN(C(=O)CCCc2ccc(Br)s2)CCO1 ZINC000097696035 209016995 /nfs/dbraw/zinc/01/69/95/209016995.db2.gz BKOYMQGIPOZEQC-JTQLQIEISA-N -1 0 376.272 2.535 50 0 GFAARM O=c1nc(CN2CCc3nnc(-c4ccccc4)n3CC2)[n-]c2ccsc21 ZINC000253536416 209044058 /nfs/dbraw/zinc/04/40/58/209044058.db2.gz QALJBXSBCZSREF-UHFFFAOYSA-N -1 0 378.461 2.714 50 0 GFAARM COc1ccc2c(c1)CCC[C@H]2CC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000408513314 533248589 /nfs/dbraw/zinc/24/85/89/533248589.db2.gz PWPHSPGTWBSSDQ-INIZCTEOSA-N -1 0 375.465 2.988 50 0 GFAARM Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(=O)[O-])CC2)c1 ZINC000067172510 136164416 /nfs/dbraw/zinc/16/44/16/136164416.db2.gz KTLWZIMESZXDJR-UHFFFAOYSA-N -1 0 380.491 2.574 50 0 GFAARM Cc1ccc(N2CCN(c3nccc(-c4cc(C(=O)[O-])ccn4)n3)CC2)cc1 ZINC000071767652 136166549 /nfs/dbraw/zinc/16/65/49/136166549.db2.gz SAGPUWWSHDULKS-UHFFFAOYSA-N -1 0 375.432 2.872 50 0 GFAARM NC(=O)c1cccnc1N1CCC(Oc2ccc3ccccc3c2)(C(=O)[O-])CC1 ZINC000082108233 136173645 /nfs/dbraw/zinc/17/36/45/136173645.db2.gz QAPBBQNCQVIBQM-UHFFFAOYSA-N -1 0 391.427 2.836 50 0 GFAARM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)C1=O ZINC000096936629 136187901 /nfs/dbraw/zinc/18/79/01/136187901.db2.gz MWWBSXFVPUCTEW-MSKHEQNASA-N -1 0 380.400 2.927 50 0 GFAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000005154099 136194577 /nfs/dbraw/zinc/19/45/77/136194577.db2.gz PVBHXLJYYPXMGT-UHFFFAOYSA-N -1 0 390.436 2.861 50 0 GFAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(CC)nc3sc(C)nn32)cc1 ZINC000065183863 222107656 /nfs/dbraw/zinc/10/76/56/222107656.db2.gz UGLIKIFWKDIMRU-UHFFFAOYSA-N -1 0 394.478 2.639 50 0 GFAARM CC[C@H](Cc1ccccc1Br)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000271920581 522314939 /nfs/dbraw/zinc/31/49/39/522314939.db2.gz UTPWMNXUGZXPQE-TZMCWYRMSA-N -1 0 384.270 2.720 50 0 GFAARM Cc1c(O)ccc2c(C)c(CC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc12 ZINC000002153966 525879719 /nfs/dbraw/zinc/87/97/19/525879719.db2.gz PZFDIYSDWSIGAU-UHFFFAOYSA-N -1 0 387.432 2.665 50 0 GFAARM CC(=O)Oc1c(I)cc(Br)cc1C(=O)[O-] ZINC000003163863 551092438 /nfs/dbraw/zinc/09/24/38/551092438.db2.gz KDBUMSWZAPBGRG-UHFFFAOYSA-N -1 0 384.951 2.677 50 0 GFAARM COC(=O)c1cc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)ccc1Cl ZINC000006267396 551098675 /nfs/dbraw/zinc/09/86/75/551098675.db2.gz RLHYRVGGTNVKCB-UHFFFAOYSA-N -1 0 382.825 2.750 50 0 GFAARM O=C([O-])c1csc(CNC(=O)C2(c3ccccc3Cl)CCOCC2)n1 ZINC000124384208 551313794 /nfs/dbraw/zinc/31/37/94/551313794.db2.gz HTBKOOTZHNWTNV-UHFFFAOYSA-N -1 0 380.853 2.859 50 0 GFAARM CC(C)n1cc(Br)cc1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000236686490 553070395 /nfs/dbraw/zinc/07/03/95/553070395.db2.gz SLUCVBGYCRWNRW-UHFFFAOYSA-N -1 0 387.274 2.927 50 0 GFAARM CCCOc1c(Br)cc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1OC ZINC000262683702 553174206 /nfs/dbraw/zinc/17/42/06/553174206.db2.gz XLXDTIPSPZBYHN-LBPRGKRZSA-N -1 0 386.242 2.936 50 0 GFAARM CN(CCC(=O)[O-])C(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000370720902 563252888 /nfs/dbraw/zinc/25/28/88/563252888.db2.gz CWLWYGVTUCGUMW-LLVKDONJSA-N -1 0 379.766 2.656 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Br ZINC000006051658 570228916 /nfs/dbraw/zinc/22/89/16/570228916.db2.gz IXTZHCITYCLOBF-UHFFFAOYSA-N -1 0 382.235 2.899 50 0 GFAARM Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3cccc(F)c3)c([O-])c12 ZINC000049008058 570258838 /nfs/dbraw/zinc/25/88/38/570258838.db2.gz HXGFTSGSMSUSAB-UHFFFAOYSA-N -1 0 389.408 2.697 50 0 GFAARM O=C([O-])COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Cl ZINC000002156438 570276609 /nfs/dbraw/zinc/27/66/09/570276609.db2.gz DGEPEMZBWNFRGD-NVNXTCNLSA-N -1 0 386.816 2.574 50 0 GFAARM COc1ccccc1[C@H](C1=C([O-])COC1=O)c1cc2c(cc1OC(C)=O)OCO2 ZINC000102955727 570293585 /nfs/dbraw/zinc/29/35/85/570293585.db2.gz GNJCTGNSYOIDRI-IBGZPJMESA-N -1 0 398.367 2.850 50 0 GFAARM Cc1ccc(C)c(NC(=O)CSc2nnnn2-c2ccc(C(=O)[O-])cc2)c1 ZINC000002848310 570307998 /nfs/dbraw/zinc/30/79/98/570307998.db2.gz HZUCHYMJUXVFLK-UHFFFAOYSA-N -1 0 383.433 2.708 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)no1 ZINC000002885063 570316297 /nfs/dbraw/zinc/31/62/97/570316297.db2.gz GDZSAOJOFCKTOH-UHFFFAOYSA-N -1 0 396.494 2.643 50 0 GFAARM COc1ccc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000034762762 570333145 /nfs/dbraw/zinc/33/31/45/570333145.db2.gz FRCBYZVOAAGAIO-UHFFFAOYSA-N -1 0 382.395 2.641 50 0 GFAARM Cc1ccc(-c2nnc(CCC(=O)NCCc3ccccn3)c(=O)[n-]2)cc1Cl ZINC000034767809 570333500 /nfs/dbraw/zinc/33/35/00/570333500.db2.gz CHUNBEYPOJVPLN-UHFFFAOYSA-N -1 0 397.866 2.893 50 0 GFAARM Cc1cc(S(=O)(=O)n2[n-]c(=O)c(Cl)c(Cl)c2=O)c(C)cc1Cl ZINC000000644807 570341047 /nfs/dbraw/zinc/34/10/47/570341047.db2.gz OSTPXDKWVHVVLJ-UHFFFAOYSA-N -1 0 383.640 2.763 50 0 GFAARM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1OC ZINC000026535152 570341568 /nfs/dbraw/zinc/34/15/68/570341568.db2.gz OGNWVIFKNKHEJZ-UHFFFAOYSA-N -1 0 394.424 2.771 50 0 GFAARM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000004863145 570350520 /nfs/dbraw/zinc/35/05/20/570350520.db2.gz IPNTUDDADOYJGS-AEFFLSMTSA-N -1 0 381.819 2.972 50 0 GFAARM Cc1nc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)nn1-c1ccc(Cl)cc1 ZINC000237827325 570403346 /nfs/dbraw/zinc/40/33/46/570403346.db2.gz SFCPHATWJUJLAW-CYBMUJFWSA-N -1 0 376.844 2.946 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000042249279 570447943 /nfs/dbraw/zinc/44/79/43/570447943.db2.gz MEHLXPPTKQVUMW-INIZCTEOSA-N -1 0 379.409 2.502 50 0 GFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C(Cl)(Cl)Cl ZINC000005925825 570462020 /nfs/dbraw/zinc/46/20/20/570462020.db2.gz RKCDHWUWRLIPDQ-UHFFFAOYSA-N -1 0 395.655 2.586 50 0 GFAARM O=C(C[C@@H]1OCCc2ccccc21)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000132909940 570467453 /nfs/dbraw/zinc/46/74/53/570467453.db2.gz JWJGBXMXCMULKH-KRWDZBQOSA-N -1 0 381.400 2.615 50 0 GFAARM Cc1oc(CN(C)C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000268932917 570476233 /nfs/dbraw/zinc/47/62/33/570476233.db2.gz LNBHLTFPJGNJAZ-UHFFFAOYSA-N -1 0 398.371 2.985 50 0 GFAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000006726486 570490822 /nfs/dbraw/zinc/49/08/22/570490822.db2.gz NXXBTQPXCGPQEY-CVFPBCOCSA-N -1 0 382.504 2.981 50 0 GFAARM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H](C)C(=O)[O-])CC2 ZINC000006624323 570508826 /nfs/dbraw/zinc/50/88/26/570508826.db2.gz LZQXWLQKXLWWHV-DJJJIMSYSA-N -1 0 384.432 2.834 50 0 GFAARM Cn1cc(S(=O)(=O)[N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)cn1 ZINC000002804059 570517308 /nfs/dbraw/zinc/51/73/08/570517308.db2.gz LJSGHWTXCGYPDI-UHFFFAOYSA-N -1 0 386.264 2.773 50 0 GFAARM CCn1ncc(S(=O)(=O)[N-]c2ccn(Cc3cccc(Cl)c3)n2)c1C ZINC000002805057 570517816 /nfs/dbraw/zinc/51/78/16/570517816.db2.gz YWMMYEDTIAUVEX-UHFFFAOYSA-N -1 0 379.873 2.910 50 0 GFAARM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000002804956 570517853 /nfs/dbraw/zinc/51/78/53/570517853.db2.gz ADVYJOZLHDFPOS-UHFFFAOYSA-N -1 0 379.873 2.736 50 0 GFAARM COc1ccc(CCNC(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1OC ZINC000022204862 570538640 /nfs/dbraw/zinc/53/86/40/570538640.db2.gz APOHRYNKZLGLTI-UHFFFAOYSA-N -1 0 398.868 2.588 50 0 GFAARM Cc1cc(OCC(=O)NCCCCCC(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002148160 570542582 /nfs/dbraw/zinc/54/25/82/570542582.db2.gz NUTHWMJGFINKAY-UHFFFAOYSA-N -1 0 375.421 2.858 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000006729338 570555852 /nfs/dbraw/zinc/55/58/52/570555852.db2.gz WVJALADLVGMNOZ-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])cc2)cc1 ZINC000036293940 570562951 /nfs/dbraw/zinc/56/29/51/570562951.db2.gz QOCWUJXBVZXHJA-QGZVFWFLSA-N -1 0 395.502 2.847 50 0 GFAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)c(C)n1C ZINC000064863082 570571356 /nfs/dbraw/zinc/57/13/56/570571356.db2.gz KJYXBAKEJYGUEB-UHFFFAOYSA-N -1 0 396.465 2.637 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Br)cnc1N ZINC000006800713 570603179 /nfs/dbraw/zinc/60/31/79/570603179.db2.gz AMKDYKQWLPBWIX-UHFFFAOYSA-N -1 0 392.662 2.889 50 0 GFAARM O=C([O-])CCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000012429192 570658206 /nfs/dbraw/zinc/65/82/06/570658206.db2.gz RCTYFLVEQDOWFA-UHFFFAOYSA-N -1 0 388.445 2.631 50 0 GFAARM COC(=O)c1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)[n-]1 ZINC000005794138 570690874 /nfs/dbraw/zinc/69/08/74/570690874.db2.gz HTQZNQBVVQPXRE-UHFFFAOYSA-N -1 0 394.416 2.758 50 0 GFAARM O=C(Nc1ccc(F)cc1)c1c(=O)[nH]c2c(cnn2-c2ccc(F)cc2)c1[O-] ZINC000065249953 570748487 /nfs/dbraw/zinc/74/84/87/570748487.db2.gz ZBOJHZJBLDJYSD-UHFFFAOYSA-N -1 0 382.326 2.950 50 0 GFAARM CCOc1c(Br)cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000013170820 570749728 /nfs/dbraw/zinc/74/97/28/570749728.db2.gz FRVALPWKRJPZOO-SNVBAGLBSA-N -1 0 386.242 2.793 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2cccc(OC)c2OC)cc1 ZINC000013189646 570750156 /nfs/dbraw/zinc/75/01/56/570750156.db2.gz UJCMRRSOFXHSIT-KRWDZBQOSA-N -1 0 387.432 2.977 50 0 GFAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)n1 ZINC000036615421 570751074 /nfs/dbraw/zinc/75/10/74/570751074.db2.gz UTYVYXUXTDSUEQ-UHFFFAOYSA-N -1 0 394.218 2.922 50 0 GFAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C1 ZINC000008732508 570772033 /nfs/dbraw/zinc/77/20/33/570772033.db2.gz AIDOMEYLQHNIHH-GFCCVEGCSA-N -1 0 388.807 2.795 50 0 GFAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)cs1 ZINC000006681535 570780563 /nfs/dbraw/zinc/78/05/63/570780563.db2.gz HGQJNZMJCXRFJD-UHFFFAOYSA-N -1 0 375.269 2.671 50 0 GFAARM Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)[O-])C2 ZINC000170044528 570792254 /nfs/dbraw/zinc/79/22/54/570792254.db2.gz XBPXMDYPJVIXSF-ICSRJNTNSA-N -1 0 378.428 2.900 50 0 GFAARM COc1ccc2c(C)cc(N3CCC[C@@H](Cn4cc(C(=O)[O-])nn4)C3)nc2c1 ZINC000067955849 570798672 /nfs/dbraw/zinc/79/86/72/570798672.db2.gz ZAVISBILIDDGKQ-CQSZACIVSA-N -1 0 381.436 2.758 50 0 GFAARM CCC(CC)(CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000170066861 570799724 /nfs/dbraw/zinc/79/97/24/570799724.db2.gz FJVIJUGSNNCVNH-ZBFHGGJFSA-N -1 0 380.872 2.867 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(F)cc1 ZINC000299746465 570824227 /nfs/dbraw/zinc/82/42/27/570824227.db2.gz XOYKZURYRWKWBL-ZBFHGGJFSA-N -1 0 388.420 2.961 50 0 GFAARM CC(=O)N[C@H](CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1c(F)cccc1F ZINC000299753064 570829945 /nfs/dbraw/zinc/82/99/45/570829945.db2.gz WRRCIMHBXJEQAH-DXEWXGHRSA-N -1 0 394.418 2.776 50 0 GFAARM O=C([O-])c1cc(-c2ccccc2F)cc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000071749387 570846341 /nfs/dbraw/zinc/84/63/41/570846341.db2.gz NOPMCMMNBITNNZ-AWEZNQCLSA-N -1 0 379.409 2.648 50 0 GFAARM O=C([O-])c1cc(-c2ccccc2F)cc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000071749388 570846366 /nfs/dbraw/zinc/84/63/66/570846366.db2.gz NOPMCMMNBITNNZ-CQSZACIVSA-N -1 0 379.409 2.648 50 0 GFAARM CC(C)(C)C(=O)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000012560842 570864734 /nfs/dbraw/zinc/86/47/34/570864734.db2.gz XRCDCGOGZMIJRB-UHFFFAOYSA-N -1 0 392.452 2.972 50 0 GFAARM COCC(=O)Nc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1Cl ZINC000071284018 570887248 /nfs/dbraw/zinc/88/72/48/570887248.db2.gz GLXLCMLDSRBLJU-UHFFFAOYSA-N -1 0 376.796 2.804 50 0 GFAARM CC1(C)[C@H](C(=O)Nc2ccc(-c3nnc(-c4cccnc4)[nH]3)cc2)[C@@H]1C(=O)[O-] ZINC000071284315 570887419 /nfs/dbraw/zinc/88/74/19/570887419.db2.gz LIKCKADIHDKXNY-LSDHHAIUSA-N -1 0 377.404 2.829 50 0 GFAARM COc1ccc(CCc2nnc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)s2)cc1 ZINC000071288141 570889234 /nfs/dbraw/zinc/88/92/34/570889234.db2.gz PONUFCKSIQBZKF-UONOGXRCSA-N -1 0 375.450 2.627 50 0 GFAARM CC(C)c1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000004742766 570956842 /nfs/dbraw/zinc/95/68/42/570956842.db2.gz MUBGUUXDHCFYLH-KXBFYZLASA-N -1 0 382.460 2.740 50 0 GFAARM CN1C(=O)N[C@H](c2cccnc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139942 570960305 /nfs/dbraw/zinc/96/03/05/570960305.db2.gz FOMXGRXQNHKVHM-YWPYICTPSA-N -1 0 385.367 2.589 50 0 GFAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002146658 570971510 /nfs/dbraw/zinc/97/15/10/570971510.db2.gz DDNWTLKITWNFPX-HNNXBMFYSA-N -1 0 375.421 2.658 50 0 GFAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002147266 570971709 /nfs/dbraw/zinc/97/17/09/570971709.db2.gz AVZXMDYUSXVSHG-CYBMUJFWSA-N -1 0 375.421 2.884 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000002150604 570972508 /nfs/dbraw/zinc/97/25/08/570972508.db2.gz YSRBTLZFGKPIHV-SVKFGRERSA-N -1 0 375.421 2.793 50 0 GFAARM CC(C)[C@@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] ZINC000004769919 570973022 /nfs/dbraw/zinc/97/30/22/570973022.db2.gz IGLVFZBSZQBERJ-XCMFGDQWSA-N -1 0 384.407 2.822 50 0 GFAARM CCOC(=O)N1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)CC1 ZINC000045967846 571008754 /nfs/dbraw/zinc/00/87/54/571008754.db2.gz PHGHFQUNAXMTFU-UHFFFAOYSA-N -1 0 389.452 2.792 50 0 GFAARM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263302316 598170597 /nfs/dbraw/zinc/17/05/97/598170597.db2.gz XAFRYDVKFGPXQO-QKCSRTOESA-N -1 0 385.258 2.641 50 0 GFAARM CCOC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000079103135 602295007 /nfs/dbraw/zinc/29/50/07/602295007.db2.gz ZBLBDYIXPHJXCX-UHFFFAOYSA-N -1 0 389.429 2.703 50 0 GFAARM COc1ccc(C2=NN(c3nc(C(=O)[O-])cs3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000005244313 209122756 /nfs/dbraw/zinc/12/27/56/209122756.db2.gz UPMXIGWXQKVXHL-CQSZACIVSA-N -1 0 387.339 2.715 50 0 GFAARM CCOc1cc2c(cc1/C=C/C(=O)N(CC(=O)[O-])C1CCOCC1)O[C@H](C)C2 ZINC000328594996 206230389 /nfs/dbraw/zinc/23/03/89/206230389.db2.gz ICPCRSPDHVTYHA-ISZGNANSSA-N -1 0 389.448 2.514 50 0 GFAARM CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(C2CCCCC2)c1[O-] ZINC000009109812 206307048 /nfs/dbraw/zinc/30/70/48/206307048.db2.gz ZBLJAWYRFUBQCP-IBGZPJMESA-N -1 0 394.475 2.806 50 0 GFAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000000792762 206322032 /nfs/dbraw/zinc/32/20/32/206322032.db2.gz CYMZRNVWEXUOOD-UHFFFAOYSA-N -1 0 398.444 2.847 50 0 GFAARM O=C([O-])CSCC(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001029939 206343331 /nfs/dbraw/zinc/34/33/31/206343331.db2.gz LORXUWPWJBYCIR-UHFFFAOYSA-N -1 0 399.925 2.806 50 0 GFAARM Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000001079944 206351426 /nfs/dbraw/zinc/35/14/26/206351426.db2.gz RIIYMDCLJTUIHW-UHFFFAOYSA-N -1 0 390.343 2.502 50 0 GFAARM Cn1nc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)ccc1=O ZINC000010324936 206383274 /nfs/dbraw/zinc/38/32/74/206383274.db2.gz WWDRBZCMBQKULH-UHFFFAOYSA-N -1 0 381.866 2.963 50 0 GFAARM COc1ccccc1NC(=O)CSc1nc([O-])cc(=O)n1-c1ccccc1 ZINC000001230707 206368721 /nfs/dbraw/zinc/36/87/21/206368721.db2.gz IKHREWKUJYODEJ-UHFFFAOYSA-N -1 0 383.429 2.678 50 0 GFAARM Cc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C)cc1Br ZINC000011566060 206825473 /nfs/dbraw/zinc/82/54/73/206825473.db2.gz YYGVXDRHXBVJLT-UHFFFAOYSA-N -1 0 376.272 2.551 50 0 GFAARM O=C([O-])CCc1nnc2n(Cc3ccccc3Cl)c3ccccc3n2c1=O ZINC000015085002 207048300 /nfs/dbraw/zinc/04/83/00/207048300.db2.gz KQOQTQKBOVZTNN-UHFFFAOYSA-N -1 0 382.807 2.763 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)COc3ccccc3)cc2s1 ZINC000015862002 207064767 /nfs/dbraw/zinc/06/47/67/207064767.db2.gz MCFOZHKZFLVYRX-UHFFFAOYSA-N -1 0 377.447 2.685 50 0 GFAARM CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)OC)c1C ZINC000017080797 207084799 /nfs/dbraw/zinc/08/47/99/207084799.db2.gz OZSUIVWESWOGIQ-GHMZBOCLSA-N -1 0 395.433 2.625 50 0 GFAARM COc1ccc(CC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1 ZINC000021883075 207240795 /nfs/dbraw/zinc/24/07/95/207240795.db2.gz PXPPKIRXHORNIZ-UHFFFAOYSA-N -1 0 391.474 2.858 50 0 GFAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000024926479 207297445 /nfs/dbraw/zinc/29/74/45/207297445.db2.gz CSTCALZZJLAQLH-UHFFFAOYSA-N -1 0 384.461 2.995 50 0 GFAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000028970622 207354335 /nfs/dbraw/zinc/35/43/35/207354335.db2.gz IDIGFOKROOYGLU-UHFFFAOYSA-N -1 0 379.445 2.502 50 0 GFAARM C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)/C=C/C(=O)[O-])cc32)C1 ZINC000032094149 207391207 /nfs/dbraw/zinc/39/12/07/207391207.db2.gz NTIXBZAMPWLWKP-FOFFECOMSA-N -1 0 399.447 2.851 50 0 GFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000048346123 207696772 /nfs/dbraw/zinc/69/67/72/207696772.db2.gz ZQDVRHVTLPTBBZ-AWEZNQCLSA-N -1 0 398.488 2.954 50 0 GFAARM O=C([O-])c1ccccc1CC(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000071287438 207934513 /nfs/dbraw/zinc/93/45/13/207934513.db2.gz MRNJZIXAPPYTJW-UHFFFAOYSA-N -1 0 381.457 2.886 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)C[C@H]1c1ccccc1 ZINC000091736352 208136221 /nfs/dbraw/zinc/13/62/21/208136221.db2.gz QJTNACQIHVKZBU-RBUKOAKNSA-N -1 0 378.428 2.754 50 0 GFAARM Cn1cc(CCC(=O)N2CCC([C@@H](CC(=O)[O-])c3ccc(F)cc3)CC2)cn1 ZINC000095364998 208164689 /nfs/dbraw/zinc/16/46/89/208164689.db2.gz ASFOVDVYBCEZCG-IBGZPJMESA-N -1 0 387.455 2.989 50 0 GFAARM COc1ccc([C@H](O)CNC(=O)c2nn(-c3cccc(C)c3C)cc2[O-])cc1 ZINC000095409471 208179659 /nfs/dbraw/zinc/17/96/59/208179659.db2.gz NDVNBJHOUNCLDB-GOSISDBHSA-N -1 0 381.432 2.667 50 0 GFAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000095989915 208249916 /nfs/dbraw/zinc/24/99/16/208249916.db2.gz RIFBOUXNEJKXNX-HNNXBMFYSA-N -1 0 390.461 2.861 50 0 GFAARM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1F ZINC000098055274 208366830 /nfs/dbraw/zinc/36/68/30/208366830.db2.gz CSSZGROFGDAKIQ-ZRDIBKRKSA-N -1 0 377.393 2.505 50 0 GFAARM Cc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=NN2)s1 ZINC000101763057 208397069 /nfs/dbraw/zinc/39/70/69/208397069.db2.gz GGYOWQJRZSPQNB-CQSZACIVSA-N -1 0 396.472 2.657 50 0 GFAARM O=C([O-])CN(C(=O)c1cc(Cl)ccc1Br)C1CCOCC1 ZINC000238107808 208471456 /nfs/dbraw/zinc/47/14/56/208471456.db2.gz YVIQUUCFLXBVTO-UHFFFAOYSA-N -1 0 376.634 2.808 50 0 GFAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c12 ZINC000002156053 208500123 /nfs/dbraw/zinc/50/01/23/208500123.db2.gz HLZDGQVMTFNNGF-OAQYLSRUSA-N -1 0 395.411 2.985 50 0 GFAARM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000060367200 209001268 /nfs/dbraw/zinc/00/12/68/209001268.db2.gz OOSVEUXWQHZEBD-UHFFFAOYSA-N -1 0 385.344 2.625 50 0 GFAARM CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)OCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000256028210 209045646 /nfs/dbraw/zinc/04/56/46/209045646.db2.gz YTANOHUVAIRCTL-CABCVRRESA-N -1 0 378.425 2.623 50 0 GFAARM O=C([O-])[C@H](NC(=O)Cn1cc(-c2ccc(Cl)cc2)ncc1=O)c1ccccc1 ZINC000252499846 209034430 /nfs/dbraw/zinc/03/44/30/209034430.db2.gz SGHPGJOXXKVAPN-LJQANCHMSA-N -1 0 397.818 2.506 50 0 GFAARM Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000253409834 209039696 /nfs/dbraw/zinc/03/96/96/209039696.db2.gz MMYGAJTXMHZSQP-SFHVURJKSA-N -1 0 381.407 2.879 50 0 GFAARM COC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000012755469 221225571 /nfs/dbraw/zinc/22/55/71/221225571.db2.gz OGZIDBJTEPAANP-ZDUSSCGKSA-N -1 0 380.441 2.700 50 0 GFAARM CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000013362674 221266944 /nfs/dbraw/zinc/26/69/44/221266944.db2.gz CWDGFMRCDPENDT-UHFFFAOYSA-N -1 0 394.424 2.807 50 0 GFAARM COc1cc(S(=O)(=O)N2CCCc3ccc(F)cc32)cc(C(=O)[O-])c1OC ZINC000055601097 132446918 /nfs/dbraw/zinc/44/69/18/132446918.db2.gz REKPRMDREGRVQD-UHFFFAOYSA-N -1 0 395.408 2.683 50 0 GFAARM CSc1nccc(N2CCC(C(=O)[O-])(n3ccc(-c4ccco4)n3)CC2)n1 ZINC000072448003 136170772 /nfs/dbraw/zinc/17/07/72/136170772.db2.gz LGYXFELLQXJJFU-UHFFFAOYSA-N -1 0 385.449 2.735 50 0 GFAARM Cn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000096025630 136183425 /nfs/dbraw/zinc/18/34/25/136183425.db2.gz RMCNSYJSSLCUSU-UHFFFAOYSA-N -1 0 396.472 2.814 50 0 GFAARM Cc1ccc2nc(COc3cccc(C(=O)N4CC[C@H](C(=O)[O-])C4)c3)cn2c1 ZINC000178268361 534507226 /nfs/dbraw/zinc/50/72/26/534507226.db2.gz BRKZRXBKAVEZPY-INIZCTEOSA-N -1 0 379.416 2.768 50 0 GFAARM Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000408513330 534861402 /nfs/dbraw/zinc/86/14/02/534861402.db2.gz SAVPCMGITFAVLC-SNAWJCMRSA-N -1 0 397.903 2.996 50 0 GFAARM O=S(=O)([N-]c1cccc2n[nH]cc21)c1ccc(I)cc1 ZINC000003997390 551094481 /nfs/dbraw/zinc/09/44/81/551094481.db2.gz LYUMCICBLJAVIP-UHFFFAOYSA-N -1 0 399.213 2.968 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2nnc3cc(C)ccn32)c(Br)c1 ZINC000225465077 553058820 /nfs/dbraw/zinc/05/88/20/553058820.db2.gz BWYABYQLNKBJRC-UHFFFAOYSA-N -1 0 397.254 2.610 50 0 GFAARM C[C@]1(C(=O)[O-])CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000237638857 553080152 /nfs/dbraw/zinc/08/01/52/553080152.db2.gz IUQQJEQKZLGVMC-KRWDZBQOSA-N -1 0 396.281 2.821 50 0 GFAARM CN1OC[C@H](S(=O)(=O)NCCc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000245329650 553089128 /nfs/dbraw/zinc/08/91/28/553089128.db2.gz URLGWHIVKJRVOF-ZWKOTPCHSA-N -1 0 380.897 2.789 50 0 GFAARM CCOc1c(Br)cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000299745628 563390733 /nfs/dbraw/zinc/39/07/33/563390733.db2.gz RMNGQJZREHAVJZ-MRXNPFEDSA-N -1 0 386.242 2.793 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccc(-n3cc(Br)cn3)c2)C1 ZINC000299745263 563390965 /nfs/dbraw/zinc/39/09/65/563390965.db2.gz XGOXQIZVAVKMPM-LBPRGKRZSA-N -1 0 378.226 2.572 50 0 GFAARM Cc1ccc(NC(=O)CSc2nnnn2-c2cccc(C(=O)[O-])c2)cc1C ZINC000002848433 570308413 /nfs/dbraw/zinc/30/84/13/570308413.db2.gz BCHAEGIRGHBJRT-UHFFFAOYSA-N -1 0 383.433 2.708 50 0 GFAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000016042525 570313468 /nfs/dbraw/zinc/31/34/68/570313468.db2.gz QRDQSTNEKCZZRI-ADLMAVQZSA-N -1 0 375.421 2.658 50 0 GFAARM Cc1c(C(N)=O)sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000006184391 570316856 /nfs/dbraw/zinc/31/68/56/570316856.db2.gz STINFIHLUWESGO-WDEREUQCSA-N -1 0 396.465 2.550 50 0 GFAARM CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000218141505 570326050 /nfs/dbraw/zinc/32/60/50/570326050.db2.gz VEGWIKOIOSTOIS-UHFFFAOYSA-N -1 0 393.490 2.696 50 0 GFAARM C[C@@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000237348370 570345734 /nfs/dbraw/zinc/34/57/34/570345734.db2.gz RMMZKZLMLQWLII-ZYHUDNBSSA-N -1 0 397.353 2.744 50 0 GFAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000004949765 570379821 /nfs/dbraw/zinc/37/98/21/570379821.db2.gz IADYTLQDIZSGQB-MSOLQXFVSA-N -1 0 386.448 2.545 50 0 GFAARM Cc1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c(C)n1-c1nccs1 ZINC000237672717 570388925 /nfs/dbraw/zinc/38/89/25/570388925.db2.gz JSPOGJZDOIYAON-AWEZNQCLSA-N -1 0 377.466 2.647 50 0 GFAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c(C)s2)no1 ZINC000035539159 570391121 /nfs/dbraw/zinc/39/11/21/570391121.db2.gz BEEORSUHADRJOS-UHFFFAOYSA-N -1 0 393.446 2.987 50 0 GFAARM CC(C)c1ccc(N(CC(=O)Nc2ccccc2C(=O)[O-])S(C)(=O)=O)cc1 ZINC000004701094 570394977 /nfs/dbraw/zinc/39/49/77/570394977.db2.gz XXCLOSSVAQMOBI-UHFFFAOYSA-N -1 0 390.461 2.913 50 0 GFAARM Cc1ccc(-n2ncc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2C2CC2)cc1Cl ZINC000237782245 570396997 /nfs/dbraw/zinc/39/69/97/570396997.db2.gz PXAFXPKCPCSJPX-MRXNPFEDSA-N -1 0 389.839 2.637 50 0 GFAARM CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000004760711 570404139 /nfs/dbraw/zinc/40/41/39/570404139.db2.gz BCFXIICWEDEFQM-HZPDHXFCSA-N -1 0 396.509 2.650 50 0 GFAARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C(=O)[C@H]3C[C@H]3c3cccnc3)cc(Cl)c2O1 ZINC000242339244 570432533 /nfs/dbraw/zinc/43/25/33/570432533.db2.gz ZGEQMSSRRRYPOO-ONERCXAPSA-N -1 0 392.864 2.667 50 0 GFAARM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000006267342 570474862 /nfs/dbraw/zinc/47/48/62/570474862.db2.gz BDKDPMZRSIRTCL-CYBMUJFWSA-N -1 0 389.477 2.839 50 0 GFAARM C[C@H]1Sc2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])cc2NC1=O ZINC000268941789 570482499 /nfs/dbraw/zinc/48/24/99/570482499.db2.gz KGZUSBNZMWLPRH-BDJLRTHQSA-N -1 0 382.441 2.771 50 0 GFAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1nn(Cc2ccccc2F)cc1Cl ZINC000002804893 570517784 /nfs/dbraw/zinc/51/77/84/570517784.db2.gz SRWVLHCVYQJNRR-UHFFFAOYSA-N -1 0 383.836 2.567 50 0 GFAARM O=S(=O)([N-]c1cccc2c1OCC[C@H]2O)c1cnn(-c2ccccc2F)c1 ZINC000225616660 570594766 /nfs/dbraw/zinc/59/47/66/570594766.db2.gz OBSVTRJCMSCRAE-QGZVFWFLSA-N -1 0 389.408 2.628 50 0 GFAARM O=C(N[C@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O)c1ccccc1F ZINC000005450995 570598880 /nfs/dbraw/zinc/59/88/80/570598880.db2.gz NKDHQJJDNJKLLH-INIZCTEOSA-N -1 0 378.285 2.930 50 0 GFAARM CN(Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000685940792 570674972 /nfs/dbraw/zinc/67/49/72/570674972.db2.gz VKAOLJBAUUHGMK-INIZCTEOSA-N -1 0 393.484 2.976 50 0 GFAARM CCCCOc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000012992853 570738483 /nfs/dbraw/zinc/73/84/83/570738483.db2.gz WRFIWDIGWHRZEJ-UHFFFAOYSA-N -1 0 384.432 2.610 50 0 GFAARM O=S(=O)([N-]c1cccn2c1nnc2C1CCC1)c1ccc2c(c1)OCCO2 ZINC000065228837 570739715 /nfs/dbraw/zinc/73/97/15/570739715.db2.gz SYIJNNDMPSQLPW-UHFFFAOYSA-N -1 0 386.433 2.569 50 0 GFAARM COc1ccccc1CCC(=O)N1CCc2c(c(C(=O)[O-])nn2CC2CC2)C1 ZINC000067881421 570795796 /nfs/dbraw/zinc/79/57/96/570795796.db2.gz HOPOVBXAXXRNOK-UHFFFAOYSA-N -1 0 383.448 2.517 50 0 GFAARM Cc1ccccc1-c1nnc(SCC(=O)NCc2ccc(C(=O)[O-])cc2)n1C ZINC000005935065 570805343 /nfs/dbraw/zinc/80/53/43/570805343.db2.gz RZLZJKOGHLCCOI-UHFFFAOYSA-N -1 0 396.472 2.897 50 0 GFAARM C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)NCCC1=CCCCC1 ZINC000004486717 570806948 /nfs/dbraw/zinc/80/69/48/570806948.db2.gz ZFWNEANSIPKBCU-AWEZNQCLSA-N -1 0 394.493 2.610 50 0 GFAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1nc2ccccc2[nH]1 ZINC000102309664 570844353 /nfs/dbraw/zinc/84/43/53/570844353.db2.gz LFBXTHZXKLLHRG-JTQLQIEISA-N -1 0 379.445 2.590 50 0 GFAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071764017 570850847 /nfs/dbraw/zinc/85/08/47/570850847.db2.gz ONMGWAOCDTYXNA-UHFFFAOYSA-N -1 0 389.429 2.608 50 0 GFAARM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102654538 570856051 /nfs/dbraw/zinc/85/60/51/570856051.db2.gz XZDJTLCFDWBOEW-LRDDRELGSA-N -1 0 375.494 2.547 50 0 GFAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)OCCO3)O[C@@H](C)C2 ZINC000012552336 570856324 /nfs/dbraw/zinc/85/63/24/570856324.db2.gz RUOLAVASKRXOSW-LBPRGKRZSA-N -1 0 391.445 2.981 50 0 GFAARM Cc1ccc(CN2CCN(Cc3ccc(O[C@H](C)C(=O)[O-])cc3)CC2=O)cc1 ZINC000072133086 570868954 /nfs/dbraw/zinc/86/89/54/570868954.db2.gz DDFXVXQZEPLGTR-QGZVFWFLSA-N -1 0 382.460 2.691 50 0 GFAARM COC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)cc1 ZINC000170624663 570881118 /nfs/dbraw/zinc/88/11/18/570881118.db2.gz QUAGWHBFFZETHE-LLVKDONJSA-N -1 0 378.384 2.863 50 0 GFAARM O=C([O-])CN(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)C1CCOCC1 ZINC000238114003 570897031 /nfs/dbraw/zinc/89/70/31/570897031.db2.gz OFEGVBKMSXEKHQ-UHFFFAOYSA-N -1 0 397.353 2.597 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000012649261 570935409 /nfs/dbraw/zinc/93/54/09/570935409.db2.gz OSDWKMHOYGNYJT-UHFFFAOYSA-N -1 0 375.431 2.793 50 0 GFAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)cs1 ZINC000006681555 570938350 /nfs/dbraw/zinc/93/83/50/570938350.db2.gz QQJXAYPHLYYTRI-UHFFFAOYSA-N -1 0 375.269 2.671 50 0 GFAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000238071116 570945156 /nfs/dbraw/zinc/94/51/56/570945156.db2.gz CRAODXFWBGURRP-UHFFFAOYSA-N -1 0 376.412 2.787 50 0 GFAARM Cc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3F)c2)n1 ZINC000047328418 570953641 /nfs/dbraw/zinc/95/36/41/570953641.db2.gz HZNXASYZLQYEQW-UHFFFAOYSA-N -1 0 377.372 2.824 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)CCO1 ZINC000178279956 570974847 /nfs/dbraw/zinc/97/48/47/570974847.db2.gz RZJPYJQNPCVHPT-LJQANCHMSA-N -1 0 380.375 2.967 50 0 GFAARM CC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)cc1 ZINC000010657350 570993373 /nfs/dbraw/zinc/99/33/73/570993373.db2.gz GXXXECGSRYXUHL-UHFFFAOYSA-N -1 0 391.401 2.550 50 0 GFAARM NC(=O)CCN(C(=O)CSc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000012750817 571003268 /nfs/dbraw/zinc/00/32/68/571003268.db2.gz WWESRDDXOFNPTQ-UHFFFAOYSA-N -1 0 376.409 2.525 50 0 GFAARM CC(=NN=C1NC(=O)[C@H](CC(=O)[O-])S1)c1cccc(NC(=O)C(C)C)c1 ZINC000252607289 571007675 /nfs/dbraw/zinc/00/76/75/571007675.db2.gz GZIVPOOBUFGINE-ZDUSSCGKSA-N -1 0 376.438 2.908 50 0 GFAARM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000262902771 605150487 /nfs/dbraw/zinc/15/04/87/605150487.db2.gz ILIOMOWEKLKVID-VMBOVVBDSA-N -1 0 388.464 2.824 50 0 GFAARM COC(=O)[C@@](c1cc(Cl)c([O-])c(Cl)c1)(N1CCOCC1)C(F)(F)F ZINC000096592541 655031708 /nfs/dbraw/zinc/03/17/08/655031708.db2.gz PFOPQXZGJAGVPU-CYBMUJFWSA-N -1 0 388.169 2.962 50 0 GFAARM COc1ccc(CCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(OC)c1OC ZINC000221905031 206259257 /nfs/dbraw/zinc/25/92/57/206259257.db2.gz GPWLENJHLDOFTK-PMPSAXMXSA-N -1 0 391.464 2.889 50 0 GFAARM CCCCCCc1c(C)c2ccc(OCC(=O)NCC(=O)[O-])cc2oc1=O ZINC000002140387 206292039 /nfs/dbraw/zinc/29/20/39/206292039.db2.gz TXSQKMQJUAWGSO-UHFFFAOYSA-N -1 0 375.421 2.804 50 0 GFAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001027457 206342128 /nfs/dbraw/zinc/34/21/28/206342128.db2.gz HGXSUKUDESFBHW-UHFFFAOYSA-N -1 0 385.825 2.945 50 0 GFAARM CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)Cc3ccccc3)sc2c1 ZINC000001182700 206363462 /nfs/dbraw/zinc/36/34/62/206363462.db2.gz KRNVHUZWKGTHLP-UHFFFAOYSA-N -1 0 382.488 2.642 50 0 GFAARM Cc1sc(NC(=O)CSCC(=O)[O-])c(C(N)=O)c1-c1ccc(F)cc1 ZINC000017078071 207082748 /nfs/dbraw/zinc/08/27/48/207082748.db2.gz WUQMVQBARQETQC-UHFFFAOYSA-N -1 0 382.438 2.718 50 0 GFAARM CCOC(=O)c1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000019863007 207168844 /nfs/dbraw/zinc/16/88/44/207168844.db2.gz JINXIVDKQJHFGO-MRXNPFEDSA-N -1 0 399.424 2.986 50 0 GFAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000020574844 207204099 /nfs/dbraw/zinc/20/40/99/207204099.db2.gz VDESMTGRRHAUIH-UHFFFAOYSA-N -1 0 382.438 2.626 50 0 GFAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccn(Cc2c(Cl)cccc2Cl)n1 ZINC000020614496 207207347 /nfs/dbraw/zinc/20/73/47/207207347.db2.gz MEYGOQFWBSJMKA-UHFFFAOYSA-N -1 0 394.218 2.922 50 0 GFAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)s2)on1 ZINC000021540591 207232843 /nfs/dbraw/zinc/23/28/43/207232843.db2.gz HEEOMKOMWIGSGH-UHFFFAOYSA-N -1 0 394.430 2.999 50 0 GFAARM COc1ccc(OC)c(C[C@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[n-]2)c1 ZINC000027839657 207331897 /nfs/dbraw/zinc/33/18/97/207331897.db2.gz GQUCBGVMLASUIM-KRWDZBQOSA-N -1 0 381.436 2.799 50 0 GFAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cn1C ZINC000031667311 207383485 /nfs/dbraw/zinc/38/34/85/207383485.db2.gz OTCBESUKANHVTN-UHFFFAOYSA-N -1 0 397.547 2.664 50 0 GFAARM O=C([O-])[C@@H](c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21)N1CCOCC1 ZINC000031807340 207386494 /nfs/dbraw/zinc/38/64/94/207386494.db2.gz WYJFJYDCTHFJNA-LJQANCHMSA-N -1 0 379.416 2.878 50 0 GFAARM COc1ccc(-c2nc(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cs2)cc1OC ZINC000032124024 207394549 /nfs/dbraw/zinc/39/45/49/207394549.db2.gz NFXMYEZYUNFDEX-AWEZNQCLSA-N -1 0 392.477 2.985 50 0 GFAARM Cc1cccc2cc(C(=O)N3CCn4nc(CCC(=O)[O-])cc4C3)c(C)nc12 ZINC000072481451 208034142 /nfs/dbraw/zinc/03/41/42/208034142.db2.gz HWJVSOPLCMJCGF-UHFFFAOYSA-N -1 0 378.432 2.721 50 0 GFAARM COc1ccc([C@@H](O)CNC(=O)c2nn(-c3cccc(C)c3C)cc2[O-])cc1 ZINC000095409470 208178719 /nfs/dbraw/zinc/17/87/19/208178719.db2.gz NDVNBJHOUNCLDB-SFHVURJKSA-N -1 0 381.432 2.667 50 0 GFAARM O=C([O-])c1ccc(CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)o1 ZINC000095425468 208182096 /nfs/dbraw/zinc/18/20/96/208182096.db2.gz RIZLYKCDITTXJO-UHFFFAOYSA-N -1 0 389.367 2.607 50 0 GFAARM O=C([O-])[C@@]12CN(C(=O)c3ccc(-n4ccnc4)cc3)C[C@@H]1c1ccccc1OC2 ZINC000096137850 208267836 /nfs/dbraw/zinc/26/78/36/208267836.db2.gz TXEOQZQCSAOXJY-XMSQKQJNSA-N -1 0 389.411 2.575 50 0 GFAARM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2F)c1OC ZINC000096747821 208321603 /nfs/dbraw/zinc/32/16/03/208321603.db2.gz JUHUHQZWUCCUTN-UTCJRWHESA-N -1 0 399.371 2.881 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1 ZINC000101260806 208388940 /nfs/dbraw/zinc/38/89/40/208388940.db2.gz WDQZGRMUVKQWMB-MSOLQXFVSA-N -1 0 380.404 2.818 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000101416291 208391484 /nfs/dbraw/zinc/39/14/84/208391484.db2.gz MWPJGZIMRRIFHU-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000101387107 208392619 /nfs/dbraw/zinc/39/26/19/208392619.db2.gz WVJALADLVGMNOZ-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM Cc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=NN2)s1 ZINC000101763052 208398056 /nfs/dbraw/zinc/39/80/56/208398056.db2.gz GGYOWQJRZSPQNB-AWEZNQCLSA-N -1 0 396.472 2.657 50 0 GFAARM O=C(C[C@@H]1OCCc2ccccc21)[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000121532981 208467942 /nfs/dbraw/zinc/46/79/42/208467942.db2.gz ULHWINKQIITSFI-KRWDZBQOSA-N -1 0 381.400 2.615 50 0 GFAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N(Cc1ccccc1)[C@H]3Cc1ccccc1 ZINC000004044106 208533837 /nfs/dbraw/zinc/53/38/37/208533837.db2.gz FFCSIQDHUAMNEF-YCNIMBIBSA-N -1 0 375.424 2.665 50 0 GFAARM CC(C)C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)C(=O)[O-] ZINC000012945969 208779452 /nfs/dbraw/zinc/77/94/52/208779452.db2.gz CUYTVWABZLVLML-KRWDZBQOSA-N -1 0 379.416 2.615 50 0 GFAARM Cc1nc(N(C)C)nc(C)c1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000096098614 209006770 /nfs/dbraw/zinc/00/67/70/209006770.db2.gz ICFIPTCBTSAFQF-UHFFFAOYSA-N -1 0 390.387 2.859 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1nc(-c2ccco2)no1 ZINC000252495704 209035130 /nfs/dbraw/zinc/03/51/30/209035130.db2.gz OWWSANSNNQTDAN-OAHLLOKOSA-N -1 0 394.387 2.556 50 0 GFAARM CSCC[C@H](NC(=O)Cc1c(C)[nH]nc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC000253395624 209039363 /nfs/dbraw/zinc/03/93/63/209039363.db2.gz AMRDJKIBUFTLAZ-AWEZNQCLSA-N -1 0 381.885 2.904 50 0 GFAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCSCC1 ZINC000058366766 136155276 /nfs/dbraw/zinc/15/52/76/136155276.db2.gz NFSVBOHDUDUPQT-UHFFFAOYSA-N -1 0 396.465 2.878 50 0 GFAARM CCNC(=O)c1ccc(N2CCC(Oc3ccccc3C)(C(=O)[O-])CC2)nc1 ZINC000082098059 136173556 /nfs/dbraw/zinc/17/35/56/136173556.db2.gz GHPPRCMQWOVRNC-UHFFFAOYSA-N -1 0 383.448 2.642 50 0 GFAARM COc1ccc([C@@H](C(=O)[O-])N2CCN(c3ccc(Cl)cn3)CC2)c(C)c1 ZINC000095368646 136178278 /nfs/dbraw/zinc/17/82/78/136178278.db2.gz RRUKCMMJFXFZLM-SFHVURJKSA-N -1 0 375.856 3.000 50 0 GFAARM CCCC(=O)NCc1cc([N-]S(=O)(=O)c2cccs2)cc(C(=O)OC)c1 ZINC000299761772 209085345 /nfs/dbraw/zinc/08/53/45/209085345.db2.gz YZAKLURJJTUJAG-UHFFFAOYSA-N -1 0 396.490 2.752 50 0 GFAARM CC(C)(C)OC(=O)N1CCN(c2cc(C(F)(F)F)ccn2)C[C@H]1C(=O)[O-] ZINC000169725705 534837917 /nfs/dbraw/zinc/83/79/17/534837917.db2.gz FPLJVICBTFQPEZ-NSHDSACASA-N -1 0 375.347 2.611 50 0 GFAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)nn(C)c1C ZINC000005423097 551097663 /nfs/dbraw/zinc/09/76/63/551097663.db2.gz GJOIGBVLTRLYPO-UHFFFAOYSA-N -1 0 388.287 2.999 50 0 GFAARM CN(C)S(=O)(=O)c1ccc(OCCSc2ccccc2C(=O)[O-])cc1 ZINC000012813886 551107928 /nfs/dbraw/zinc/10/79/28/551107928.db2.gz RTWLLOIGPGVYLG-UHFFFAOYSA-N -1 0 381.475 2.806 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000165542275 551629801 /nfs/dbraw/zinc/62/98/01/551629801.db2.gz NRRIGIBTSAIVLJ-SECBINFHSA-N -1 0 379.210 2.640 50 0 GFAARM O=S(=O)([N-]c1ccc(-n2cnnc2)cc1)c1c(F)cccc1Br ZINC000170617379 551635642 /nfs/dbraw/zinc/63/56/42/551635642.db2.gz GDQDJYBVACBUTP-UHFFFAOYSA-N -1 0 397.229 2.970 50 0 GFAARM Cc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)nn1-c1ccc(Br)cc1 ZINC000237707487 553080743 /nfs/dbraw/zinc/08/07/43/553080743.db2.gz GXJCFGDLQMTJGY-QGZVFWFLSA-N -1 0 392.253 2.880 50 0 GFAARM O=C([O-])c1csc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000237963714 553084732 /nfs/dbraw/zinc/08/47/32/553084732.db2.gz MGHINBRASYHTNI-OAHLLOKOSA-N -1 0 380.491 2.562 50 0 GFAARM O=C([C@@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2[O-])C1)N1CCCCC1 ZINC000632300944 568278181 /nfs/dbraw/zinc/27/81/81/568278181.db2.gz HZZLFTDBJJCRQX-OLZOCXBDSA-N -1 0 386.901 2.505 50 0 GFAARM O=C(c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)N1CCOc2ccccc21 ZINC000048253014 570227363 /nfs/dbraw/zinc/22/73/63/570227363.db2.gz AKVPPWLVTGXMCP-UHFFFAOYSA-N -1 0 395.440 2.922 50 0 GFAARM CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000001795945 570268739 /nfs/dbraw/zinc/26/87/39/570268739.db2.gz BAFBGNDGKMLCHH-JTQLQIEISA-N -1 0 391.820 2.843 50 0 GFAARM CCOc1ccc(NC(=S)N[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002853382 570309522 /nfs/dbraw/zinc/30/95/22/570309522.db2.gz SIDBPSQQJQZIGO-UHFFFAOYSA-N -1 0 385.898 2.919 50 0 GFAARM COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000002869500 570313600 /nfs/dbraw/zinc/31/36/00/570313600.db2.gz GGPVTMYSOSSGIT-UHFFFAOYSA-N -1 0 382.869 2.825 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)c2oc3ccccc3c2COc2ccccc2)CCO1 ZINC000485830961 570323537 /nfs/dbraw/zinc/32/35/37/570323537.db2.gz UJEJUWAQPHALTR-GOSISDBHSA-N -1 0 381.384 2.937 50 0 GFAARM CCOC(=O)c1c(CC)[nH]nc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000072329889 570326968 /nfs/dbraw/zinc/32/69/68/570326968.db2.gz NPCIYFULUHMSJF-UHFFFAOYSA-N -1 0 375.809 2.742 50 0 GFAARM CCOC(=O)c1ccccc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000004263616 570364533 /nfs/dbraw/zinc/36/45/33/570364533.db2.gz XBIPEYVODPDJRT-MRXNPFEDSA-N -1 0 399.424 2.986 50 0 GFAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1nc(N2CCCC2)ncc1Cl ZINC000237620426 570384456 /nfs/dbraw/zinc/38/44/56/570384456.db2.gz YDWKPRCRIFPMBU-OAHLLOKOSA-N -1 0 388.855 2.984 50 0 GFAARM CC(C)C[C@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000004976811 570387899 /nfs/dbraw/zinc/38/78/99/570387899.db2.gz WPBSOYMJPUMBJM-SFKKXYGYSA-N -1 0 388.395 2.805 50 0 GFAARM Cc1nc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])nn1-c1ccccc1Cl ZINC000237681311 570389676 /nfs/dbraw/zinc/38/96/76/570389676.db2.gz MHQRHQCJQIORRH-KRWDZBQOSA-N -1 0 396.834 2.881 50 0 GFAARM Cc1nc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])nn1-c1ccc(Cl)cc1 ZINC000237681282 570389742 /nfs/dbraw/zinc/38/97/42/570389742.db2.gz NCGRRYYPTKVBEQ-KRWDZBQOSA-N -1 0 396.834 2.881 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4C)c=3c2=O)cc1 ZINC000004877956 570414763 /nfs/dbraw/zinc/41/47/63/570414763.db2.gz QVWZEBGDOSYVPZ-RTBURBONSA-N -1 0 391.431 2.544 50 0 GFAARM COC(=O)c1ccc(O)c(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)c1 ZINC000225737435 570611051 /nfs/dbraw/zinc/61/10/51/570611051.db2.gz OJKFHACFVBPXJE-GOSISDBHSA-N -1 0 386.473 2.907 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000262448050 570674589 /nfs/dbraw/zinc/67/45/89/570674589.db2.gz VXGLIGHAQZCKTI-QGZVFWFLSA-N -1 0 399.834 2.521 50 0 GFAARM COc1c(C)cnc(Cn2c3cc(C(=O)[O-])cnc3n(CC(C)C)c2=O)c1C ZINC000055042188 570680104 /nfs/dbraw/zinc/68/01/04/570680104.db2.gz OLKMCGRDQKALQM-UHFFFAOYSA-N -1 0 384.436 2.621 50 0 GFAARM CO[C@](C(=O)Nc1c(C)nn(CC(=O)[O-])c1C)(c1ccccc1)C(F)(F)F ZINC000055072086 570681398 /nfs/dbraw/zinc/68/13/98/570681398.db2.gz DTQZVQZXOXHWSZ-INIZCTEOSA-N -1 0 385.342 2.627 50 0 GFAARM COc1cccc(-n2cc([C@H](C)NC(=O)c3cccc(NCC(=O)[O-])c3)cn2)c1 ZINC000055359358 570692369 /nfs/dbraw/zinc/69/23/69/570692369.db2.gz MYYROSBPKYZNFX-AWEZNQCLSA-N -1 0 394.431 2.868 50 0 GFAARM COC(=O)C[C@@H]1CC(=O)C2=C([O-])c3c(c(Br)ccc3OC)[C@@H]2C1 ZINC000055529252 570696316 /nfs/dbraw/zinc/69/63/16/570696316.db2.gz KIBDKRPJUGKECL-KOSWAMCASA-N -1 0 381.222 2.896 50 0 GFAARM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000263016737 570702411 /nfs/dbraw/zinc/70/24/11/570702411.db2.gz SBSPVDMVEOHXSI-CYBMUJFWSA-N -1 0 396.852 2.610 50 0 GFAARM Cc1cc(OCC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)ccc1Cl ZINC000012800550 570717647 /nfs/dbraw/zinc/71/76/47/570717647.db2.gz PESJXZYMNDCENM-UHFFFAOYSA-N -1 0 377.853 2.984 50 0 GFAARM COCCn1c2nc(-c3ccccc3F)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617205 570754073 /nfs/dbraw/zinc/75/40/73/570754073.db2.gz ALWTXHZQKYUFEP-UHFFFAOYSA-N -1 0 375.381 2.605 50 0 GFAARM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000013429365 570754768 /nfs/dbraw/zinc/75/47/68/570754768.db2.gz NKSQGTPFBNWOFO-UHFFFAOYSA-N -1 0 380.444 2.926 50 0 GFAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1ccccc1C(N)=O ZINC000013573599 570759723 /nfs/dbraw/zinc/75/97/23/570759723.db2.gz YBODQPKQZMNHEK-UHFFFAOYSA-N -1 0 386.791 2.741 50 0 GFAARM Cc1nc(-c2ccccc2)nc2sc3c([n-]c(SCC(N)=O)nc3=O)c21 ZINC000096602634 570775254 /nfs/dbraw/zinc/77/52/54/570775254.db2.gz KBPNUNDHSNVEGG-UHFFFAOYSA-N -1 0 383.458 2.893 50 0 GFAARM COc1ccc(-n2c(=O)c(C(=O)NCc3ccco3)c([O-])c3cccnc32)cc1 ZINC000101723283 570830238 /nfs/dbraw/zinc/83/02/38/570830238.db2.gz ZZHRYOYMWXRTJT-UHFFFAOYSA-N -1 0 391.383 2.623 50 0 GFAARM CSc1nc(=O)c([C@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c([O-])n1C ZINC000102707383 570857694 /nfs/dbraw/zinc/85/76/94/570857694.db2.gz MGZIZKHUNYFCNQ-CQSZACIVSA-N -1 0 376.869 2.578 50 0 GFAARM Cc1nc2ncccn2c1C(=O)N1CCC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072174552 570878182 /nfs/dbraw/zinc/87/81/82/570878182.db2.gz LABDIZDDTHITHM-INIZCTEOSA-N -1 0 378.432 2.831 50 0 GFAARM Cn1c(=O)c2ccc(C(=O)NCCc3ccc(Cl)s3)cc2[n-]c1=S ZINC000103547723 570886538 /nfs/dbraw/zinc/88/65/38/570886538.db2.gz SCFJYONLFCQECN-UHFFFAOYSA-N -1 0 379.894 2.910 50 0 GFAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(NC(=O)CN2CCCCC2)c1 ZINC000071287302 570888888 /nfs/dbraw/zinc/88/88/88/570888888.db2.gz SBOONMUOCIHVLY-UHFFFAOYSA-N -1 0 395.459 2.990 50 0 GFAARM C[C@@H]1Sc2ccc(C(=O)OCc3nc(=O)c4sccc4[n-]3)cc2NC1=O ZINC000012623273 570900205 /nfs/dbraw/zinc/90/02/05/570900205.db2.gz JWSAJUGQIQBIES-QMMMGPOBSA-N -1 0 387.442 2.774 50 0 GFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cnn(Cc3ccccc3F)c2)c1 ZINC000014229541 570903971 /nfs/dbraw/zinc/90/39/71/570903971.db2.gz MSYYNGQCUBJOKD-UHFFFAOYSA-N -1 0 391.424 2.889 50 0 GFAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1 ZINC000006680598 570938303 /nfs/dbraw/zinc/93/83/03/570938303.db2.gz XSLDHSOYQYUIIW-UHFFFAOYSA-N -1 0 394.474 2.792 50 0 GFAARM Cc1cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000002140227 570969568 /nfs/dbraw/zinc/96/95/68/570969568.db2.gz SKLQXKRCRNCBBG-XIKOKIGWSA-N -1 0 387.432 2.583 50 0 GFAARM O=C([O-])C1(CC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CCCCC1 ZINC000044830178 570977380 /nfs/dbraw/zinc/97/73/80/570977380.db2.gz KWDJMLWOKOXUBZ-UHFFFAOYSA-N -1 0 380.466 2.590 50 0 GFAARM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000083987595 570988139 /nfs/dbraw/zinc/98/81/39/570988139.db2.gz RGDHVOIRGLIZTE-OAHLLOKOSA-N -1 0 396.415 2.980 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(N)=O)cc1Br ZINC000012782699 571035827 /nfs/dbraw/zinc/03/58/27/571035827.db2.gz ZLLNGAYMBARNIW-UHFFFAOYSA-N -1 0 399.266 2.666 50 0 GFAARM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000221917271 600065463 /nfs/dbraw/zinc/06/54/63/600065463.db2.gz HUGMGBHZPFGQQK-YPKPFQOOSA-N -1 0 382.416 2.942 50 0 GFAARM COc1ccccc1OCc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)o1 ZINC000299753357 600959742 /nfs/dbraw/zinc/95/97/42/600959742.db2.gz XYPQTDNVYQQELO-UHFFFAOYSA-N -1 0 389.404 2.573 50 0 GFAARM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)C1CCOCC1 ZINC000299750007 600960422 /nfs/dbraw/zinc/96/04/22/600960422.db2.gz MJVTXIDMEZMDCM-KBPBESRZSA-N -1 0 387.354 2.781 50 0 GFAARM Cn1cc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cn1 ZINC000002804019 654438427 /nfs/dbraw/zinc/43/84/27/654438427.db2.gz HPSCMNUGJIEDLY-UHFFFAOYSA-N -1 0 386.264 2.773 50 0 GFAARM O=C([O-])c1cc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)ccc1NCc1cccnc1 ZINC000100582027 206262563 /nfs/dbraw/zinc/26/25/63/206262563.db2.gz PMIVVJRCJYEVKM-IYBDPMFKSA-N -1 0 377.400 2.848 50 0 GFAARM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1OCC(N)=O ZINC000000645290 206312057 /nfs/dbraw/zinc/31/20/57/206312057.db2.gz VPNXPPHRRKDZCL-UHFFFAOYSA-N -1 0 394.880 2.802 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000001088614 206350838 /nfs/dbraw/zinc/35/08/38/206350838.db2.gz JPRZBXFYNJXDLY-UHFFFAOYSA-N -1 0 397.250 2.526 50 0 GFAARM O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1c(F)cccc1Cl ZINC000010251186 206375982 /nfs/dbraw/zinc/37/59/82/206375982.db2.gz GPDJDSNFWUDVBG-UHFFFAOYSA-N -1 0 383.770 2.759 50 0 GFAARM CCOC(=O)c1c(NC(=O)c2ccccc2C(=O)[O-])sc2c1CCN(C)C2 ZINC000001926048 206395064 /nfs/dbraw/zinc/39/50/64/206395064.db2.gz AHQYYXJHVBZBFM-UHFFFAOYSA-N -1 0 388.445 2.863 50 0 GFAARM CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002098415 206398342 /nfs/dbraw/zinc/39/83/42/206398342.db2.gz LQECMMNXGMMWGH-XIKOKIGWSA-N -1 0 387.432 2.665 50 0 GFAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](CCC)C(=O)[O-])ccc12 ZINC000002104190 206399789 /nfs/dbraw/zinc/39/97/89/206399789.db2.gz FUZDNNDXMUGHAC-LRDDRELGSA-N -1 0 375.421 2.882 50 0 GFAARM O=C([O-])c1ccc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1 ZINC000005696078 206625604 /nfs/dbraw/zinc/62/56/04/206625604.db2.gz UJQBYDNBLYNXSP-DTQAZKPQSA-N -1 0 377.400 2.661 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(C)cc4)c=3c2=O)cc1OC ZINC000021778545 207236515 /nfs/dbraw/zinc/23/65/15/207236515.db2.gz IQIDBTPSMGTYLJ-QZTJIDSGSA-N -1 0 380.404 2.506 50 0 GFAARM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2ccc3ccccc3n2)C1=O ZINC000023946260 207283755 /nfs/dbraw/zinc/28/37/55/207283755.db2.gz FRQZOHPLJSOZCK-JOCHJYFZSA-N -1 0 388.427 2.823 50 0 GFAARM COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc(C(=O)[O-])cc2)nn1 ZINC000032102542 207393076 /nfs/dbraw/zinc/39/30/76/207393076.db2.gz HGRZVHZLFFINCB-CYBMUJFWSA-N -1 0 379.376 2.801 50 0 GFAARM Cc1cccc(-c2nnc(CCC(=O)NCc3ccc4c(c3)OCO4)c(=O)[n-]2)c1 ZINC000034768717 207474248 /nfs/dbraw/zinc/47/42/48/207474248.db2.gz QBOOSCKTCDAPAH-UHFFFAOYSA-N -1 0 392.415 2.530 50 0 GFAARM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000042267966 207623397 /nfs/dbraw/zinc/62/33/97/207623397.db2.gz DOJZFKGSBLVDDF-UHFFFAOYSA-N -1 0 375.446 2.512 50 0 GFAARM CCCS(=O)(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000299748657 207665110 /nfs/dbraw/zinc/66/51/10/207665110.db2.gz HVDMAHDPLVHWPV-OIISXLGYSA-N -1 0 379.478 2.728 50 0 GFAARM Cc1nc2cc(C(=O)N3CCc4c(c(C(=O)[O-])nn4CC(C)C)C3)ccc2[nH]1 ZINC000067642696 207895994 /nfs/dbraw/zinc/89/59/94/207895994.db2.gz YILGALCRPGZKOA-UHFFFAOYSA-N -1 0 381.436 2.621 50 0 GFAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1ccccc1OC(F)(F)C(F)F)C(=O)[O-] ZINC000067934634 207916497 /nfs/dbraw/zinc/91/64/97/207916497.db2.gz BXAWGFWVQGABAI-LBPRGKRZSA-N -1 0 389.305 2.819 50 0 GFAARM O=C([O-])CC[C@@H]1CN(c2nc3ccccc3s2)CC[C@@H]1N1CCOCC1 ZINC000092037027 208146505 /nfs/dbraw/zinc/14/65/05/208146505.db2.gz SVKOBTCGYGYBMD-ZBFHGGJFSA-N -1 0 375.494 2.688 50 0 GFAARM COc1ccc(C)cc1[C@H](C(=O)[O-])N1CCN(Cc2csc(C)n2)CC1 ZINC000095386068 208177099 /nfs/dbraw/zinc/17/70/99/208177099.db2.gz VQNFINQGHIGZKY-GOSISDBHSA-N -1 0 375.494 2.712 50 0 GFAARM CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccccc1OCC(=O)[O-] ZINC000095476799 208193158 /nfs/dbraw/zinc/19/31/58/208193158.db2.gz JMFJETDIJPUBEL-OAHLLOKOSA-N -1 0 377.422 2.645 50 0 GFAARM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)C1 ZINC000095500041 208201061 /nfs/dbraw/zinc/20/10/61/208201061.db2.gz NNWZBEBLXYHDRT-JOCHJYFZSA-N -1 0 377.444 2.937 50 0 GFAARM Cc1ccc(SCCN(C)C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)cc1 ZINC000097694943 208360362 /nfs/dbraw/zinc/36/03/62/208360362.db2.gz YDQMDWLTDALMSS-UHFFFAOYSA-N -1 0 383.473 2.916 50 0 GFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1 ZINC000101260529 208390295 /nfs/dbraw/zinc/39/02/95/208390295.db2.gz JMQMQHGWAQCANR-MSOLQXFVSA-N -1 0 380.404 2.764 50 0 GFAARM COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(O)=C23)c1OC ZINC000101300077 208390361 /nfs/dbraw/zinc/39/03/61/208390361.db2.gz NCPIHPKANQWILO-APWZRJJASA-N -1 0 380.400 2.613 50 0 GFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1 ZINC000101352904 208392031 /nfs/dbraw/zinc/39/20/31/208392031.db2.gz YFCBCBBFPDTAFR-MOPGFXCFSA-N -1 0 391.431 2.544 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(C)cc4)c=3c2=O)cc1OC ZINC000101418198 208393891 /nfs/dbraw/zinc/39/38/91/208393891.db2.gz IQIDBTPSMGTYLJ-ZWKOTPCHSA-N -1 0 380.404 2.506 50 0 GFAARM CC(=O)c1ccccc1NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000101632027 208396393 /nfs/dbraw/zinc/39/63/93/208396393.db2.gz XPFXIEOLXRGRIT-UHFFFAOYSA-N -1 0 387.461 2.997 50 0 GFAARM COc1ccc(Cn2cc3c(=O)n(-c4ccccc4)nc-3c(C(=O)[O-])c2)cc1 ZINC000101729122 208398229 /nfs/dbraw/zinc/39/82/29/208398229.db2.gz NDEMZUUBRLNDSO-UHFFFAOYSA-N -1 0 375.384 2.894 50 0 GFAARM Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022627644 208850719 /nfs/dbraw/zinc/85/07/19/208850719.db2.gz FDXZJNNMRLECFE-CQSZACIVSA-N -1 0 380.420 2.629 50 0 GFAARM COC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c([O-])nc2ccccn2c1=O ZINC000096115473 209010206 /nfs/dbraw/zinc/01/02/06/209010206.db2.gz YRDGDAABZYHNBZ-HNNXBMFYSA-N -1 0 378.384 2.523 50 0 GFAARM O=S(=O)([N-]c1cnn(C2CCOCC2)c1)c1ccc(Br)s1 ZINC000096123406 209012421 /nfs/dbraw/zinc/01/24/21/209012421.db2.gz IWNVBHRVHWXQDS-UHFFFAOYSA-N -1 0 392.300 2.859 50 0 GFAARM O=C([O-])C[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)CCO1 ZINC000097696034 209016012 /nfs/dbraw/zinc/01/60/12/209016012.db2.gz BKOYMQGIPOZEQC-SNVBAGLBSA-N -1 0 376.272 2.535 50 0 GFAARM NC(=O)c1cc(N2CCCCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000012774382 136200592 /nfs/dbraw/zinc/20/05/92/136200592.db2.gz UPDQRXVZXDKMLK-UHFFFAOYSA-N -1 0 377.441 2.716 50 0 GFAARM COc1cc(S(=O)(=O)[N-]c2onc(C)c2C)c(OC)cc1Br ZINC000153512348 222530124 /nfs/dbraw/zinc/53/01/24/222530124.db2.gz TXRFNXYQJKDEIP-UHFFFAOYSA-N -1 0 391.243 2.872 50 0 GFAARM CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000632137528 450601124 /nfs/dbraw/zinc/60/11/24/450601124.db2.gz OGYUCMXXCXPNTJ-TZMCWYRMSA-N -1 0 388.917 2.607 50 0 GFAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCCc2cc(C)ccc21 ZINC000057116402 536826384 /nfs/dbraw/zinc/82/63/84/536826384.db2.gz OUFHMHKFVQBDIA-UHFFFAOYSA-N -1 0 375.446 2.772 50 0 GFAARM COc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000004841252 551094756 /nfs/dbraw/zinc/09/47/56/551094756.db2.gz GSXCMCSXYUOQMI-UHFFFAOYSA-N -1 0 386.223 2.957 50 0 GFAARM COc1c(Br)cc(F)cc1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC000013002076 551108574 /nfs/dbraw/zinc/10/85/74/551108574.db2.gz YJZUFGVLHVCXHA-UHFFFAOYSA-N -1 0 378.223 2.738 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cnc([C@@H]2CCCO2)s1 ZINC000129441710 551358036 /nfs/dbraw/zinc/35/80/36/551358036.db2.gz BPCLOVZKNTUOPZ-LBPRGKRZSA-N -1 0 388.417 2.533 50 0 GFAARM Cc1cc(C(=O)N(C)[C@@H]2CCSC2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000163335132 551619058 /nfs/dbraw/zinc/61/90/58/551619058.db2.gz YEFPVKFHRWZJJT-LLVKDONJSA-N -1 0 382.429 2.834 50 0 GFAARM CSCC[C@@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000207894458 553052600 /nfs/dbraw/zinc/05/26/00/553052600.db2.gz RBIVSGQDCLUZKP-GFCCVEGCSA-N -1 0 385.283 2.726 50 0 GFAARM Cc1cc(C(=O)N(CC(=O)[O-])C2CC2)nn1-c1ccc(Br)cc1 ZINC000237667483 553080709 /nfs/dbraw/zinc/08/07/09/553080709.db2.gz XZUSWNWYHTXBRS-UHFFFAOYSA-N -1 0 378.226 2.632 50 0 GFAARM CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000299753724 563390505 /nfs/dbraw/zinc/39/05/05/563390505.db2.gz ZDMILKFNYBDYTC-HIFRSBDPSA-N -1 0 384.270 2.720 50 0 GFAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022627640 570229142 /nfs/dbraw/zinc/22/91/42/570229142.db2.gz FDXZJNNMRLECFE-AWEZNQCLSA-N -1 0 380.420 2.629 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000236582271 570245257 /nfs/dbraw/zinc/24/52/57/570245257.db2.gz SGPVXEUUHMPDTF-SFTDATJTSA-N -1 0 392.455 2.561 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000236584135 570245376 /nfs/dbraw/zinc/24/53/76/570245376.db2.gz BOGARULPOPTJRJ-PMACEKPBSA-N -1 0 398.434 2.994 50 0 GFAARM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCCC2)CN(C(=O)CCCCc2ccccc2)C1 ZINC000072147261 570255740 /nfs/dbraw/zinc/25/57/40/570255740.db2.gz XATQJFCRGWGSET-MOPGFXCFSA-N -1 0 386.492 2.571 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)no1 ZINC000002136454 570275559 /nfs/dbraw/zinc/27/55/59/570275559.db2.gz JAJVYBKAAHOZPV-UHFFFAOYSA-N -1 0 396.494 2.643 50 0 GFAARM CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000005206369 570276979 /nfs/dbraw/zinc/27/69/79/570276979.db2.gz VZWOAZGWAMPLAZ-IRXDYDNUSA-N -1 0 390.480 2.964 50 0 GFAARM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3N3CCCC3=O)ccc21 ZINC000007325438 570332563 /nfs/dbraw/zinc/33/25/63/570332563.db2.gz ASCPNSVFBQNRHL-UHFFFAOYSA-N -1 0 399.472 2.523 50 0 GFAARM COC(=O)C[C@H](c1ccc(F)c(F)c1F)c1c(=O)nc2ccccn2c1[O-] ZINC000205968322 570346171 /nfs/dbraw/zinc/34/61/71/570346171.db2.gz BJCAWBHSHZSICA-SNVBAGLBSA-N -1 0 378.306 2.512 50 0 GFAARM CS(=O)(=O)Nc1cnc(N2CCC(Cc3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000035397243 570348581 /nfs/dbraw/zinc/34/85/81/570348581.db2.gz BLUHNJQAGDKBST-UHFFFAOYSA-N -1 0 389.477 2.610 50 0 GFAARM O=C(NCc1ccccn1)c1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000006270569 570354169 /nfs/dbraw/zinc/35/41/69/570354169.db2.gz HSNMMUCRGCLRQN-UHFFFAOYSA-N -1 0 385.420 2.952 50 0 GFAARM C[C@H]1CN(Cc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000237628618 570384930 /nfs/dbraw/zinc/38/49/30/570384930.db2.gz HGGONKLSTKVCMH-FTRWYGJKSA-N -1 0 382.460 2.852 50 0 GFAARM Cc1c(C(=O)N(CCC(=O)[O-])C2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000237688267 570389704 /nfs/dbraw/zinc/38/97/04/570389704.db2.gz UYSJGELVGXXEEC-UHFFFAOYSA-N -1 0 385.464 2.893 50 0 GFAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c(C)s2)no1 ZINC000035539149 570391211 /nfs/dbraw/zinc/39/12/11/570391211.db2.gz JJZJJEBTMSRLGA-UHFFFAOYSA-N -1 0 379.419 2.944 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004899423 570416309 /nfs/dbraw/zinc/41/63/09/570416309.db2.gz VFBACQGDAHTASH-XIRDDKMYSA-N -1 0 378.469 2.943 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000236588146 570427224 /nfs/dbraw/zinc/42/72/24/570427224.db2.gz BOGARULPOPTJRJ-VQTJNVASSA-N -1 0 398.434 2.994 50 0 GFAARM COc1cccc(C[C@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[n-]2)c1OC ZINC000005488750 570442228 /nfs/dbraw/zinc/44/22/28/570442228.db2.gz BNAOJGXEIVGBQL-INIZCTEOSA-N -1 0 381.436 2.799 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000268890013 570442242 /nfs/dbraw/zinc/44/22/42/570442242.db2.gz JHZAPNACRUYFMX-PMACEKPBSA-N -1 0 378.428 2.984 50 0 GFAARM CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000005706774 570452160 /nfs/dbraw/zinc/45/21/60/570452160.db2.gz IZPLXRUAUHMTGJ-CVEARBPZSA-N -1 0 396.509 2.650 50 0 GFAARM COc1cc(CCC(=O)N2CCC(C(=O)[O-])CC2)ccc1OCC(F)(F)F ZINC000268946877 570490500 /nfs/dbraw/zinc/49/05/00/570490500.db2.gz PQNCTQSYDQBPFG-UHFFFAOYSA-N -1 0 389.370 2.892 50 0 GFAARM Cc1cc([O-])c(C2=Nc3c(C(N)=O)cnn3[C@@H](c3cccc(Cl)c3)C2)c(=O)o1 ZINC000006661575 570525279 /nfs/dbraw/zinc/52/52/79/570525279.db2.gz DLEPIQPUAUKDRO-CQSZACIVSA-N -1 0 398.806 2.717 50 0 GFAARM O=C(CSc1nnc2c3ccccc3[nH]c2n1)NCc1ccc(C(=O)[O-])cc1 ZINC000009026919 570546960 /nfs/dbraw/zinc/54/69/60/570546960.db2.gz DQUOGKSFNXWRGZ-UHFFFAOYSA-N -1 0 393.428 2.613 50 0 GFAARM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000005324201 570553320 /nfs/dbraw/zinc/55/33/20/570553320.db2.gz OLFVZVGVTVPTMT-KRWDZBQOSA-N -1 0 388.464 2.672 50 0 GFAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)c1c[nH]c2ccccc21 ZINC000005573636 570656676 /nfs/dbraw/zinc/65/66/76/570656676.db2.gz QAVYPRZNRRQTGL-GFCCVEGCSA-N -1 0 386.429 2.968 50 0 GFAARM O=C([O-])c1cn(CCCNC(=O)OCC2c3ccccc3-c3ccccc32)nn1 ZINC000685945125 570675870 /nfs/dbraw/zinc/67/58/70/570675870.db2.gz WUXQVOXKRJELGV-UHFFFAOYSA-N -1 0 392.415 2.905 50 0 GFAARM CC(=O)N[C@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000236720694 570681955 /nfs/dbraw/zinc/68/19/55/570681955.db2.gz YLPJKYNZZUJIBR-UXHICEINSA-N -1 0 380.444 2.600 50 0 GFAARM CCNC(=O)N1CCC(n2cc(Oc3ccccc3)c(=O)c(C(=O)[O-])c2)CC1 ZINC000055369984 570692616 /nfs/dbraw/zinc/69/26/16/570692616.db2.gz MDBQQYZFMFYBPR-UHFFFAOYSA-N -1 0 385.420 2.705 50 0 GFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 ZINC000065119395 570702664 /nfs/dbraw/zinc/70/26/64/570702664.db2.gz NVEOVSGHWKVTEJ-UHFFFAOYSA-N -1 0 377.447 2.616 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000001158454 570712891 /nfs/dbraw/zinc/71/28/91/570712891.db2.gz IIMKOUOKNHPZSZ-UHFFFAOYSA-N -1 0 398.893 2.896 50 0 GFAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)cn21 ZINC000065247295 570747558 /nfs/dbraw/zinc/74/75/58/570747558.db2.gz UZRRHVXIQIKWBL-UHFFFAOYSA-N -1 0 380.857 2.533 50 0 GFAARM Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c1C ZINC000013359980 570754009 /nfs/dbraw/zinc/75/40/09/570754009.db2.gz KNTRUTMQMNTISY-UHFFFAOYSA-N -1 0 390.461 2.535 50 0 GFAARM COc1ccc(Cc2ncc3c(n2)CN(c2nc(C)ccc2C(=O)[O-])C3)cc1 ZINC000067789029 570791287 /nfs/dbraw/zinc/79/12/87/570791287.db2.gz OVDXWERQCZKSLE-UHFFFAOYSA-N -1 0 376.416 2.998 50 0 GFAARM CSCC[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000005919096 570803629 /nfs/dbraw/zinc/80/36/29/570803629.db2.gz LADXZDSXBOYKEA-MRXNPFEDSA-N -1 0 398.440 2.741 50 0 GFAARM C[C@@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)c1ccc2c(c1)OCO2 ZINC000032795347 570815505 /nfs/dbraw/zinc/81/55/05/570815505.db2.gz FJSPDLUFHMBMQI-SNVBAGLBSA-N -1 0 386.433 2.616 50 0 GFAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 ZINC000299745036 570824064 /nfs/dbraw/zinc/82/40/64/570824064.db2.gz QVWGOHJIJMSREM-IBGZPJMESA-N -1 0 382.445 2.933 50 0 GFAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc(F)cc1F ZINC000102173171 570842504 /nfs/dbraw/zinc/84/25/04/570842504.db2.gz WKKXYIOHVIYEOU-VIFPVBQESA-N -1 0 375.400 2.991 50 0 GFAARM O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1)Nc1ccccc1 ZINC000032836336 570845876 /nfs/dbraw/zinc/84/58/76/570845876.db2.gz MLEAEHQMHUWRFV-UHFFFAOYSA-N -1 0 396.428 2.746 50 0 GFAARM O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccc2c1OCCO2 ZINC000065644775 570846724 /nfs/dbraw/zinc/84/67/24/570846724.db2.gz WMNVPPRXKQBCAV-UHFFFAOYSA-N -1 0 388.228 2.883 50 0 GFAARM O=C([O-])c1cc(-c2ccccc2F)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071759585 570849180 /nfs/dbraw/zinc/84/91/80/570849180.db2.gz FHYRPAYGSOMVCL-UHFFFAOYSA-N -1 0 381.450 2.928 50 0 GFAARM O=C(N[C@@H](Cc1ccccc1)C(=O)[N-]OC[C@@H]1CCOC1)OCc1ccccc1 ZINC000170607694 570864761 /nfs/dbraw/zinc/86/47/61/570864761.db2.gz NEGGOQDKIWGWFP-UXHICEINSA-N -1 0 398.459 2.608 50 0 GFAARM O=C([O-])c1cc(-n2ccc(-c3ccco3)n2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000072157182 570874463 /nfs/dbraw/zinc/87/44/63/570874463.db2.gz SCXKQABIGGIPDQ-UHFFFAOYSA-N -1 0 387.417 2.615 50 0 GFAARM COCCn1cc(C(=O)c2ccccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000010025093 570891399 /nfs/dbraw/zinc/89/13/99/570891399.db2.gz JJHPYRNBRDSWEE-UHFFFAOYSA-N -1 0 389.411 2.975 50 0 GFAARM COc1ccc(OC)c(NC(=O)CSc2nc(=O)c3sccc3[n-]2)c1 ZINC000051317198 570908937 /nfs/dbraw/zinc/90/89/37/570908937.db2.gz XOSRHANUIZJDFD-UHFFFAOYSA-N -1 0 377.447 2.733 50 0 GFAARM COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000032935297 570947853 /nfs/dbraw/zinc/94/78/53/570947853.db2.gz MRKDJDVADBYOKW-UHFFFAOYSA-N -1 0 392.408 2.540 50 0 GFAARM O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C/c1cccs1 ZINC000000859984 570952668 /nfs/dbraw/zinc/95/26/68/570952668.db2.gz LJTVLNYGVHDIOY-XYOKQWHBSA-N -1 0 396.209 2.814 50 0 GFAARM O=C1N[C@H](c2cccs2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000106213529 570954736 /nfs/dbraw/zinc/95/47/36/570954736.db2.gz SNYAFSBOUHECRX-OPQQBVKSSA-N -1 0 376.381 2.914 50 0 GFAARM CCCC[C@@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)[O-] ZINC000002122666 570956372 /nfs/dbraw/zinc/95/63/72/570956372.db2.gz JMXPRJWOPQRDJO-CQSZACIVSA-N -1 0 375.421 2.721 50 0 GFAARM Cc1cc(C)n(S(=O)(=O)c2cc(C(=O)[O-])c(N3CCCC3)cc2Cl)n1 ZINC000004165543 570969070 /nfs/dbraw/zinc/96/90/70/570969070.db2.gz QQONDWBEXZDURE-UHFFFAOYSA-N -1 0 383.857 2.689 50 0 GFAARM CCOC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1 ZINC000045967711 570973696 /nfs/dbraw/zinc/97/36/96/570973696.db2.gz LMIFQSBAUZDRGD-UHFFFAOYSA-N -1 0 377.441 2.648 50 0 GFAARM O=C([O-])c1ccc(Cl)c(NC(=O)CSc2nnnn2-c2ccccc2)c1 ZINC000004784001 570988066 /nfs/dbraw/zinc/98/80/66/570988066.db2.gz QNALUPZWMHPNQU-UHFFFAOYSA-N -1 0 389.824 2.745 50 0 GFAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCCC[C@@H]3OC)cc2[n-]c1=S ZINC000170653345 570999483 /nfs/dbraw/zinc/99/94/83/570999483.db2.gz UZPXGKVIPMIQIL-ZBFHGGJFSA-N -1 0 375.494 2.783 50 0 GFAARM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000170656590 570999966 /nfs/dbraw/zinc/99/99/66/570999966.db2.gz XHVKPNFDCGZDEH-CYBMUJFWSA-N -1 0 376.478 2.824 50 0 GFAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000045967774 571008577 /nfs/dbraw/zinc/00/85/77/571008577.db2.gz ZOJWVBHKJXCGJX-UHFFFAOYSA-N -1 0 397.431 2.916 50 0 GFAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000004270544 654443990 /nfs/dbraw/zinc/44/39/90/654443990.db2.gz ARDWRIBICTZWLA-UHFFFAOYSA-N -1 0 387.866 2.747 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2F)cc2c1OCCO2 ZINC000057116411 654800967 /nfs/dbraw/zinc/80/09/67/654800967.db2.gz FATHKBXVOHCEIS-UHFFFAOYSA-N -1 0 387.772 2.749 50 0 GFAARM O=S(=O)([N-]C[C@@](O)(c1ccccc1)C(F)(F)F)c1cc(F)ccc1F ZINC000070762676 654994647 /nfs/dbraw/zinc/99/46/47/654994647.db2.gz QRXBHFBLRDFXSY-CQSZACIVSA-N -1 0 381.322 2.693 50 0 GFAARM Cn1c2ccccc2nc1[C@H]1CCCN(C(=O)NCc2ccc(C(=O)[O-])o2)C1 ZINC000426547640 231240031 /nfs/dbraw/zinc/24/00/31/231240031.db2.gz PINPVLBDSKEUER-ZDUSSCGKSA-N -1 0 382.420 2.954 50 0 GFAARM CCOc1ccc(C2=N/C(=C/c3ccc(OCC(=O)[O-])c(OC)c3)C(=O)O2)cc1 ZINC000096892173 206301549 /nfs/dbraw/zinc/30/15/49/206301549.db2.gz KWERJKGHPWBPOM-MHWRWJLKSA-N -1 0 397.383 2.902 50 0 GFAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21)N1CCOCC1 ZINC000000937412 206335424 /nfs/dbraw/zinc/33/54/24/206335424.db2.gz YDYOSXWFRYFOAO-UHFFFAOYSA-N -1 0 397.456 2.508 50 0 GFAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)c1 ZINC000001073290 206349726 /nfs/dbraw/zinc/34/97/26/206349726.db2.gz FFWPLBKUQHCCQZ-UHFFFAOYSA-N -1 0 394.880 2.922 50 0 GFAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c1 ZINC000001110056 206354079 /nfs/dbraw/zinc/35/40/79/206354079.db2.gz BVVMKGWJOIWTNE-UHFFFAOYSA-N -1 0 396.852 2.516 50 0 GFAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCc3ccccc3Cl)C2=O)cc1 ZINC000001407422 206379120 /nfs/dbraw/zinc/37/91/20/206379120.db2.gz VFEAXASGZRQNIU-SFQUDFHCSA-N -1 0 399.834 2.995 50 0 GFAARM CC(C)(C)N1C(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000001202422 206366809 /nfs/dbraw/zinc/36/68/09/206366809.db2.gz OPRFEEBWEMRLOC-UHFFFAOYSA-N -1 0 387.413 2.612 50 0 GFAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC(=O)[O-])oc1c3CCCC1 ZINC000002102349 206399253 /nfs/dbraw/zinc/39/92/53/206399253.db2.gz AEVSEJRAHLUEDG-UHFFFAOYSA-N -1 0 383.400 2.860 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000002783396 206434421 /nfs/dbraw/zinc/43/44/21/206434421.db2.gz RRACYGINEVLGTQ-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM CCn1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000002809385 206438379 /nfs/dbraw/zinc/43/83/79/206438379.db2.gz DOLNZHMTHIGWGW-LSDHHAIUSA-N -1 0 390.484 2.795 50 0 GFAARM O=C([O-])CN1CCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O ZINC000002577894 206422023 /nfs/dbraw/zinc/42/20/23/206422023.db2.gz WGBORFZFCVWACO-LJQANCHMSA-N -1 0 394.427 2.601 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000003268298 206466298 /nfs/dbraw/zinc/46/62/98/206466298.db2.gz PLNZCUGLUFJRDT-MRXNPFEDSA-N -1 0 396.852 2.793 50 0 GFAARM O=C([O-])c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 ZINC000005000698 206581792 /nfs/dbraw/zinc/58/17/92/206581792.db2.gz KFSHYNSZLUSZHM-RVDMUPIBSA-N -1 0 388.445 2.824 50 0 GFAARM COc1cc2oc(=O)c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c(C)c2cc1Cl ZINC000009341046 206783176 /nfs/dbraw/zinc/78/31/76/206783176.db2.gz IIEBYYVBEXDRHE-NSHDSACASA-N -1 0 393.823 2.629 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NCc3ccco3)cc2)no1 ZINC000017080137 207083302 /nfs/dbraw/zinc/08/33/02/207083302.db2.gz HNDUTQLBCRPCFC-UHFFFAOYSA-N -1 0 392.462 2.863 50 0 GFAARM COC(=O)c1[nH]c2ccccc2c1[N-]S(=O)(=O)c1ccc(OC)cc1OC ZINC000018211258 207095977 /nfs/dbraw/zinc/09/59/77/207095977.db2.gz MBQGEPIUZPMYFM-UHFFFAOYSA-N -1 0 390.417 2.773 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(OC)c1 ZINC000020578728 207204183 /nfs/dbraw/zinc/20/41/83/207204183.db2.gz PGDLPEYXKOAJAF-UHFFFAOYSA-N -1 0 376.434 2.779 50 0 GFAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc2ccc(Br)cc2s1 ZINC000020614664 207208076 /nfs/dbraw/zinc/20/80/76/207208076.db2.gz BEDJAVZWUPIAOE-UHFFFAOYSA-N -1 0 381.211 2.743 50 0 GFAARM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4c(C)noc4C)CC3)c2c1 ZINC000020732637 207211444 /nfs/dbraw/zinc/21/14/44/207211444.db2.gz MGDVJYPEUXGJPV-HXUWFJFHSA-N -1 0 398.463 2.725 50 0 GFAARM COc1cc2cc3[nH]cc(S(=O)(=O)[N-]c4ccc(C)cc4)n3c2cc1OC ZINC000032611952 207398598 /nfs/dbraw/zinc/39/85/98/207398598.db2.gz DIWOTIDFGZYZGV-UHFFFAOYSA-N -1 0 385.445 2.903 50 0 GFAARM O=S(=O)([N-]c1ccccc1O)c1ccc(I)cc1 ZINC000032601971 207399536 /nfs/dbraw/zinc/39/95/36/207399536.db2.gz XRBQDDMVTQAFRF-UHFFFAOYSA-N -1 0 375.187 2.798 50 0 GFAARM COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000070666633 207540423 /nfs/dbraw/zinc/54/04/23/207540423.db2.gz XAJIIYSFTZWGAY-UHFFFAOYSA-N -1 0 382.372 2.843 50 0 GFAARM CC(C)(C)OC(=O)N1CCC[C@](NC(=O)OCc2ccccc2)(C(=O)[O-])C1 ZINC000044136947 207633593 /nfs/dbraw/zinc/63/35/93/207633593.db2.gz WFJMNSIPYXEIJT-LJQANCHMSA-N -1 0 378.425 2.767 50 0 GFAARM CSc1ccc(CN(C(=O)Cc2nn3c([n-]2)nc(C)cc3=O)C2CC2)cc1 ZINC000063884763 207797791 /nfs/dbraw/zinc/79/77/91/207797791.db2.gz OTABXXPZWBPJSW-UHFFFAOYSA-N -1 0 383.477 2.594 50 0 GFAARM COc1cc(NC(=O)c2c(=O)[nH]c3ccsc3c2[O-])cc(OC)c1OC ZINC000065215200 207846745 /nfs/dbraw/zinc/84/67/45/207846745.db2.gz XLLCORKLSBYIQI-UHFFFAOYSA-N -1 0 376.390 2.573 50 0 GFAARM Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067741505 207904719 /nfs/dbraw/zinc/90/47/19/207904719.db2.gz AMRIEXPQYSVAGA-AWEZNQCLSA-N -1 0 382.420 2.892 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2oc(C(F)(F)F)cc(=O)c2c1 ZINC000072400807 208014625 /nfs/dbraw/zinc/01/46/25/208014625.db2.gz XWMQSQWNWVGUFS-UHFFFAOYSA-N -1 0 379.250 2.552 50 0 GFAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(OC)ccc2OC)c1C ZINC000085597915 208100474 /nfs/dbraw/zinc/10/04/74/208100474.db2.gz DXBUZYWBRJOQSB-UHFFFAOYSA-N -1 0 382.438 2.626 50 0 GFAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000079061404 208071522 /nfs/dbraw/zinc/07/15/22/208071522.db2.gz KXLGSBPFRVHPNN-UHFFFAOYSA-N -1 0 375.431 2.793 50 0 GFAARM O=C([O-])[C@H](c1ccc(-n2cccn2)cc1)N1CCN(Cc2ccsc2)CC1 ZINC000095358849 208161382 /nfs/dbraw/zinc/16/13/82/208161382.db2.gz YLSORUQZQXGYOS-IBGZPJMESA-N -1 0 382.489 2.877 50 0 GFAARM COc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3csc(C)n3)CC2)cc1C ZINC000095369092 208166439 /nfs/dbraw/zinc/16/64/39/208166439.db2.gz CNKPXACAUSPDOR-SFHVURJKSA-N -1 0 375.494 2.712 50 0 GFAARM CCCn1nccc1S(=O)(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095354798 208156852 /nfs/dbraw/zinc/15/68/52/208156852.db2.gz IXOBFRPYTWOIKK-MRXNPFEDSA-N -1 0 377.466 2.560 50 0 GFAARM O=C([O-])c1cnn([C@H]2CCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)c1 ZINC000095453975 208183216 /nfs/dbraw/zinc/18/32/16/208183216.db2.gz RQYYLTJSOCFBGE-AWEZNQCLSA-N -1 0 397.353 2.886 50 0 GFAARM COc1ccc(-c2c(C(=O)[O-])nnn2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000096336478 208308526 /nfs/dbraw/zinc/30/85/26/208308526.db2.gz BKSKBNPDOWPAIO-UHFFFAOYSA-N -1 0 385.376 2.667 50 0 GFAARM CCN(Cc1ccccc1)C(=O)c1snc2c1nc([O-])n(CC(C)C)c2=O ZINC000096396734 208313819 /nfs/dbraw/zinc/31/38/19/208313819.db2.gz PGGOUZBDJXFEQF-UHFFFAOYSA-N -1 0 386.477 2.877 50 0 GFAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000096439026 208315961 /nfs/dbraw/zinc/31/59/61/208315961.db2.gz DUOUOFSAHMBMOP-UHFFFAOYSA-N -1 0 398.868 2.526 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000100707226 208379381 /nfs/dbraw/zinc/37/93/81/208379381.db2.gz HMEFWBBNVCXWGL-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000100033418 208372652 /nfs/dbraw/zinc/37/26/52/208372652.db2.gz RRACYGINEVLGTQ-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM Cc1c2ccccc2[nH]c1CN(C)C(=O)CC[C@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000218924917 208839982 /nfs/dbraw/zinc/83/99/82/208839982.db2.gz FEPKWYFXKZLJME-NRFANRHFSA-N -1 0 385.464 2.729 50 0 GFAARM CCc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)n(C)c(=O)n2C ZINC000064976644 209002981 /nfs/dbraw/zinc/00/29/81/209002981.db2.gz VACUGNQNMGGJGL-UHFFFAOYSA-N -1 0 379.869 2.894 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@@H]2c2cccnc2)cc1 ZINC000006485698 220936680 /nfs/dbraw/zinc/93/66/80/220936680.db2.gz JEILHUBKOPMLOV-IBGZPJMESA-N -1 0 394.456 2.850 50 0 GFAARM COc1cccc(CN(CC(=O)Nc2nc(C)c(C(=O)[O-])s2)C2CC2)c1 ZINC000252484370 209032498 /nfs/dbraw/zinc/03/24/98/209032498.db2.gz FUWLZNRWSUFAQB-UHFFFAOYSA-N -1 0 375.450 2.761 50 0 GFAARM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000095955574 136182708 /nfs/dbraw/zinc/18/27/08/136182708.db2.gz XCIOMHFEAHIJJB-UHFFFAOYSA-N -1 0 392.456 2.835 50 0 GFAARM O=C([O-])Cc1csc(NC(=O)COc2ccc(Br)cc2F)n1 ZINC000013405004 551108778 /nfs/dbraw/zinc/10/87/78/551108778.db2.gz SGLPGVKAVACJDM-UHFFFAOYSA-N -1 0 389.202 2.689 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1C ZINC000028258953 551123496 /nfs/dbraw/zinc/12/34/96/551123496.db2.gz YFJILQNXVRLZLM-UHFFFAOYSA-N -1 0 382.825 2.555 50 0 GFAARM O=C(CSc1ccccc1Cl)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268674 551139037 /nfs/dbraw/zinc/13/90/37/551139037.db2.gz HOZYKDNWEWSTOA-UHFFFAOYSA-N -1 0 399.877 2.708 50 0 GFAARM C[C@H](CS(=O)(=O)[N-]C(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1 ZINC000167003885 551632781 /nfs/dbraw/zinc/63/27/81/551632781.db2.gz GVDJSUAJJODQQL-DOMZBBRYSA-N -1 0 380.491 2.858 50 0 GFAARM COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000170598276 551635597 /nfs/dbraw/zinc/63/55/97/551635597.db2.gz ULJUQNLCNMWVSE-UHFFFAOYSA-N -1 0 389.202 2.571 50 0 GFAARM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)cnn1-c1cccc(Br)c1 ZINC000237726597 553081174 /nfs/dbraw/zinc/08/11/74/553081174.db2.gz RUMDWSCCIKELDP-UHFFFAOYSA-N -1 0 378.226 2.632 50 0 GFAARM O=C([O-])c1ccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000237998307 553084451 /nfs/dbraw/zinc/08/44/51/553084451.db2.gz IEBNHVAOHLWUES-HNNXBMFYSA-N -1 0 391.221 2.756 50 0 GFAARM O=C([O-])C1CCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000238020805 553085122 /nfs/dbraw/zinc/08/51/22/553085122.db2.gz DJVXSOAPBOCXTG-UHFFFAOYSA-N -1 0 396.281 2.821 50 0 GFAARM Cc1nccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Br ZINC000653543098 565971629 /nfs/dbraw/zinc/97/16/29/565971629.db2.gz CKQKDLDMTWZWMQ-DVVUODLYSA-N -1 0 384.274 2.831 50 0 GFAARM CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)cc2C1=O ZINC000002850425 570308415 /nfs/dbraw/zinc/30/84/15/570308415.db2.gz ADAVNFGGVYLKJM-UHFFFAOYSA-N -1 0 396.399 2.798 50 0 GFAARM O=S(=O)([N-]C[C@@](O)(c1ccccc1)C1CCOCC1)c1c(F)cccc1F ZINC000575613838 570339670 /nfs/dbraw/zinc/33/96/70/570339670.db2.gz WHIBXDYGMHECTG-LJQANCHMSA-N -1 0 397.443 2.558 50 0 GFAARM CSc1ccc2c(c1)CCN(C(=O)CC[C@]1(CCC(=O)[O-])CCC(=O)N1)C2 ZINC000219423922 570360152 /nfs/dbraw/zinc/36/01/52/570360152.db2.gz HYHNIWIVKPBCGZ-FQEVSTJZSA-N -1 0 390.505 2.587 50 0 GFAARM O=C([O-])CN1C(=O)c2ccc(Oc3ccc(Br)cc3)cc2C1=O ZINC000004173600 570360894 /nfs/dbraw/zinc/36/08/94/570360894.db2.gz NPLWXBMBTKKPPL-UHFFFAOYSA-N -1 0 376.162 2.922 50 0 GFAARM CCOC(CCNC(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])OCC ZINC000004920560 570370131 /nfs/dbraw/zinc/37/01/31/570370131.db2.gz UDLFODPTAZPENO-UHFFFAOYSA-N -1 0 382.844 2.967 50 0 GFAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)[C@H](C(=O)[O-])C1 ZINC000004949768 570379760 /nfs/dbraw/zinc/37/97/60/570379760.db2.gz IADYTLQDIZSGQB-ZWKOTPCHSA-N -1 0 386.448 2.545 50 0 GFAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000237728581 570392041 /nfs/dbraw/zinc/39/20/41/570392041.db2.gz YFMHPUXJLTZJEY-MRXNPFEDSA-N -1 0 391.855 2.930 50 0 GFAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237728365 570392047 /nfs/dbraw/zinc/39/20/47/570392047.db2.gz HLSKQLFGPMYLIR-UHFFFAOYSA-N -1 0 377.828 2.540 50 0 GFAARM Cc1c(C(=O)N(CC(=O)[O-])C2CCOCC2)cnn1-c1cccc(Cl)c1 ZINC000237727519 570403408 /nfs/dbraw/zinc/40/34/08/570403408.db2.gz ADEXZHUEPPFEDN-UHFFFAOYSA-N -1 0 377.828 2.540 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1cccs1 ZINC000238148512 570427486 /nfs/dbraw/zinc/42/74/86/570427486.db2.gz VLVGCUXOAUHIFR-GXFFZTMASA-N -1 0 394.399 2.711 50 0 GFAARM C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)C1=O ZINC000268889914 570440728 /nfs/dbraw/zinc/44/07/28/570440728.db2.gz IXSNPVPWPQDZIH-NVXWUHKLSA-N -1 0 396.443 2.913 50 0 GFAARM Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)/C=C\C(=O)[O-])CC1 ZINC000033330715 570525504 /nfs/dbraw/zinc/52/55/04/570525504.db2.gz ZXHIAIJVXHONLE-KHPPLWFESA-N -1 0 393.443 2.537 50 0 GFAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 ZINC000001110180 570534974 /nfs/dbraw/zinc/53/49/74/570534974.db2.gz UMIUPTYUPYTYTA-QZTJIDSGSA-N -1 0 381.432 2.841 50 0 GFAARM CC(C)(C)OC(=O)N[C@@H](Cc1cncn1COCc1ccccc1)C(=O)[O-] ZINC000035395298 570552690 /nfs/dbraw/zinc/55/26/90/570552690.db2.gz LPVKZCHCZSFTOJ-INIZCTEOSA-N -1 0 375.425 2.578 50 0 GFAARM CCc1nc2sc([C@H](c3ccccc3F)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855175 570557436 /nfs/dbraw/zinc/55/74/36/570557436.db2.gz MXRRWTQBFKPCIR-HNNXBMFYSA-N -1 0 376.457 2.744 50 0 GFAARM CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000022855120 570557500 /nfs/dbraw/zinc/55/75/00/570557500.db2.gz ACHWUBPVDOKNAZ-QGZVFWFLSA-N -1 0 399.520 2.621 50 0 GFAARM O=C([O-])C[C@@]1(C(=O)NCc2ccccc2)CC(C2=Cc3ccccc3OC2)=NO1 ZINC000006754781 570570885 /nfs/dbraw/zinc/57/08/85/570570885.db2.gz MTMUBYNLZMGYEN-JOCHJYFZSA-N -1 0 392.411 2.769 50 0 GFAARM O=C([O-])Cn1c(=O)c2c3c(sc2n(CCCc2ccccc2)c1=O)CCCC3 ZINC000006759739 570574834 /nfs/dbraw/zinc/57/48/34/570574834.db2.gz PKYDAFXMYUIBOG-UHFFFAOYSA-N -1 0 398.484 2.821 50 0 GFAARM Cc1nc(CNC(=O)c2ccc(-n3[n-]c(Cc4ccccc4)cc3=O)cc2)no1 ZINC000225474352 570578080 /nfs/dbraw/zinc/57/80/80/570578080.db2.gz CRTZGOBILMRFHS-UHFFFAOYSA-N -1 0 389.415 2.643 50 0 GFAARM O=c1[n-][nH]c(=O)c2c1nc(SCCc1ccccc1)n2Cc1ccccc1 ZINC000001621691 570585315 /nfs/dbraw/zinc/58/53/15/570585315.db2.gz YFEWOKQYSJJDDI-UHFFFAOYSA-N -1 0 378.457 2.796 50 0 GFAARM O=C(CCc1ccsc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006800772 570603149 /nfs/dbraw/zinc/60/31/49/570603149.db2.gz ZZNGRIOZKJPCEP-UHFFFAOYSA-N -1 0 388.474 2.910 50 0 GFAARM O=C(NC1CCCCCC1)c1nc2c(nnn2Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000012374481 570649133 /nfs/dbraw/zinc/64/91/33/570649133.db2.gz HDWWENNABSFYOT-UHFFFAOYSA-N -1 0 384.415 2.567 50 0 GFAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1c(C)nc2sccn2c1=O ZINC000006859667 570651034 /nfs/dbraw/zinc/65/10/34/570651034.db2.gz IJHGSBPTTMCYAQ-UHFFFAOYSA-N -1 0 399.881 2.836 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000262424817 570671598 /nfs/dbraw/zinc/67/15/98/570671598.db2.gz QXLMQWGUWWIXKB-LYRGGWFBSA-N -1 0 391.855 2.728 50 0 GFAARM CC(C)n1c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2nc1C(F)(F)F ZINC000236701287 570678547 /nfs/dbraw/zinc/67/85/47/570678547.db2.gz RFGYEBUYRGFQFH-ZDUSSCGKSA-N -1 0 385.342 2.562 50 0 GFAARM O=C([O-])c1cn(C2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)nn1 ZINC000117966681 570698859 /nfs/dbraw/zinc/69/88/59/570698859.db2.gz VBUVQKCBQJHALG-UHFFFAOYSA-N -1 0 390.399 2.782 50 0 GFAARM O=C([O-])[C@@H](CC(F)F)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000262967929 570701644 /nfs/dbraw/zinc/70/16/44/570701644.db2.gz JSFHJZPWJFWJDV-SNVBAGLBSA-N -1 0 377.269 2.729 50 0 GFAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)c1 ZINC000065119358 570702621 /nfs/dbraw/zinc/70/26/21/570702621.db2.gz BACPNYLKACYITD-UHFFFAOYSA-N -1 0 375.431 2.502 50 0 GFAARM Cc1c(NC(=CC(=O)c2ccccc2)C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000225180664 570717170 /nfs/dbraw/zinc/71/71/70/570717170.db2.gz BVNRDLIAIWYABQ-LGMDPLHJSA-N -1 0 377.400 2.748 50 0 GFAARM COc1ccc(-c2nc(CC(=O)N[C@H](CCSC)C(=O)[O-])cs2)cc1 ZINC000036584854 570744246 /nfs/dbraw/zinc/74/42/46/570744246.db2.gz BRCOECWKJPAGPQ-CQSZACIVSA-N -1 0 380.491 2.684 50 0 GFAARM Cc1ccc(OCCNC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000013234885 570751090 /nfs/dbraw/zinc/75/10/90/570751090.db2.gz UEQQJVMAPYLFSO-LJQANCHMSA-N -1 0 381.432 2.850 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)OCCCO2 ZINC000013260089 570752126 /nfs/dbraw/zinc/75/21/26/570752126.db2.gz BPKPKCFOHIIINM-KRWDZBQOSA-N -1 0 380.400 2.755 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)c2ccccc2O1 ZINC000013436125 570754727 /nfs/dbraw/zinc/75/47/27/570754727.db2.gz QTWKTJSMODSSHG-HNNXBMFYSA-N -1 0 375.764 2.604 50 0 GFAARM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OCC)ccc1OC ZINC000013677054 570772284 /nfs/dbraw/zinc/77/22/84/570772284.db2.gz YXDHCWBZSUGLGA-UHFFFAOYSA-N -1 0 378.450 2.644 50 0 GFAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000007052017 570772837 /nfs/dbraw/zinc/77/28/37/570772837.db2.gz RBIPPKBEFVGUBQ-UHFFFAOYSA-N -1 0 386.223 2.987 50 0 GFAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)[nH]c1=O ZINC000101495363 570824827 /nfs/dbraw/zinc/82/48/27/570824827.db2.gz XFUFRGHFZUEKRA-MRXNPFEDSA-N -1 0 395.440 2.843 50 0 GFAARM CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON=C(C=Cc4ccccc4)[C@@H]3C2=O)cc1 ZINC000101500304 570825583 /nfs/dbraw/zinc/82/55/83/570825583.db2.gz DIHZOXZKSINMGQ-APAVCVACSA-N -1 0 376.368 2.570 50 0 GFAARM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c(C(=O)OC)c1C ZINC000007307985 570828425 /nfs/dbraw/zinc/82/84/25/570828425.db2.gz ABUXWNBASREKHP-NSHDSACASA-N -1 0 397.474 2.669 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1 ZINC000299752597 570829460 /nfs/dbraw/zinc/82/94/60/570829460.db2.gz URNDQTJFOGWBDZ-IBGZPJMESA-N -1 0 391.427 2.524 50 0 GFAARM O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000032912194 570917286 /nfs/dbraw/zinc/91/72/86/570917286.db2.gz IKXKHVXVGVUTQD-UHFFFAOYSA-N -1 0 377.328 2.786 50 0 GFAARM COc1ccccc1C(=O)Nc1cc(=O)nc2[n-]c(COc3ccccc3)nn21 ZINC000017027243 570937644 /nfs/dbraw/zinc/93/76/44/570937644.db2.gz WCDUTHDIWKQWER-UHFFFAOYSA-N -1 0 391.387 2.670 50 0 GFAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c1C ZINC000108759491 570991460 /nfs/dbraw/zinc/99/14/60/570991460.db2.gz ATRUZRIRUSQOND-UHFFFAOYSA-N -1 0 385.445 2.827 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000012773936 571027292 /nfs/dbraw/zinc/02/72/92/571027292.db2.gz YPXDYEZGWXWMPB-UHFFFAOYSA-N -1 0 394.474 2.572 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1C(=O)[O-] ZINC000042122942 600541098 /nfs/dbraw/zinc/54/10/98/600541098.db2.gz QUVBOVGXFICGKI-UHFFFAOYSA-N -1 0 392.433 2.789 50 0 GFAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)C1CCOCC1 ZINC000299750009 600960761 /nfs/dbraw/zinc/96/07/61/600960761.db2.gz MJVTXIDMEZMDCM-UONOGXRCSA-N -1 0 387.354 2.781 50 0 GFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2c(F)cc(F)cc21 ZINC000042006972 601215590 /nfs/dbraw/zinc/21/55/90/601215590.db2.gz GBQOLKUVURGQIF-UHFFFAOYSA-N -1 0 383.372 2.813 50 0 GFAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C(N)=O)s2)c1C ZINC000040267720 654621387 /nfs/dbraw/zinc/62/13/87/654621387.db2.gz YIXAFQNNOVNYBA-UHFFFAOYSA-N -1 0 376.463 2.655 50 0 GFAARM Cc1ccnc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)c1 ZINC000045961769 654672857 /nfs/dbraw/zinc/67/28/57/654672857.db2.gz BRJZDRZKUHFQSH-UHFFFAOYSA-N -1 0 379.507 3.269 50 0 GFAARM CS[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000888093308 663178114 /nfs/dbraw/zinc/17/81/14/663178114.db2.gz XEYOIIRPKPVZRA-GFCCVEGCSA-N -1 0 380.495 2.584 50 0 GFAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C=Cc2cncc(C)c2)c1 ZINC000606443541 677674372 /nfs/dbraw/zinc/67/43/72/677674372.db2.gz IVMJBFRGNNSZMZ-UTCJRWHESA-N -1 0 378.837 2.764 50 0 GFAARM O=C([O-])[C@@]12CN(C(=O)CCc3cnccn3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000426730658 231256715 /nfs/dbraw/zinc/25/67/15/231256715.db2.gz ZVXSGPSDWRSIJT-SPEDKVCISA-N -1 0 379.460 2.906 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCn3c4cc(C)c(C)cc4nc32)cc1 ZINC000334162603 206254701 /nfs/dbraw/zinc/25/47/01/206254701.db2.gz CEULCHJABUIFTI-UHFFFAOYSA-N -1 0 384.461 2.880 50 0 GFAARM Cc1c(OCC(=O)NCCCCCC(=O)[O-])ccc2c3c(c(=O)oc12)CCC3 ZINC000002092758 206291585 /nfs/dbraw/zinc/29/15/85/206291585.db2.gz LZQNPFFXZFYWAK-UHFFFAOYSA-N -1 0 387.432 2.730 50 0 GFAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC3CCC(C(=O)[O-])CC3)ccc12 ZINC000000627583 206309049 /nfs/dbraw/zinc/30/90/49/206309049.db2.gz GCWSGQPKIODBTC-NFOMZHRRSA-N -1 0 387.432 2.876 50 0 GFAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1 ZINC000000813084 206324271 /nfs/dbraw/zinc/32/42/71/206324271.db2.gz LAXSHVLQKGTZOC-UHFFFAOYSA-N -1 0 386.520 2.724 50 0 GFAARM CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000917458 206332554 /nfs/dbraw/zinc/33/25/54/206332554.db2.gz UKDLZENEZYSDDM-UHFFFAOYSA-N -1 0 398.444 2.928 50 0 GFAARM O=C([O-])c1ccccc1N1C(=O)c2ccc(I)cc2C1=O ZINC000000984378 206338318 /nfs/dbraw/zinc/33/83/18/206338318.db2.gz BYLDQAKFHMPTEZ-UHFFFAOYSA-N -1 0 393.136 2.790 50 0 GFAARM CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)cc2C1=O ZINC000001010665 206342325 /nfs/dbraw/zinc/34/23/25/206342325.db2.gz DQLRUPJTLJOCQX-UHFFFAOYSA-N -1 0 396.399 2.797 50 0 GFAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)CCO2 ZINC000009828178 206372358 /nfs/dbraw/zinc/37/23/58/206372358.db2.gz XNMUQEZVSUZLSH-UHFFFAOYSA-N -1 0 390.461 2.577 50 0 GFAARM COc1ccccc1NC(=O)CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1 ZINC000009761980 206377226 /nfs/dbraw/zinc/37/72/26/206377226.db2.gz AOHJRPOSQQZXOI-UHFFFAOYSA-N -1 0 395.437 2.676 50 0 GFAARM O=C(NC[C@H]1CCCO1)c1cc(Br)cc(Br)c1[O-] ZINC000002018678 206396002 /nfs/dbraw/zinc/39/60/02/206396002.db2.gz INGVKLACODHWHI-MRVPVSSYSA-N -1 0 379.048 2.826 50 0 in-man GFAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C)nn(Cc2ccccc2F)c1C ZINC000002804860 206437032 /nfs/dbraw/zinc/43/70/32/206437032.db2.gz FYZXQDAPCZVZIO-UHFFFAOYSA-N -1 0 377.445 2.530 50 0 GFAARM CCNC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583334 206421271 /nfs/dbraw/zinc/42/12/71/206421271.db2.gz AEOWYLMRDPXICX-IBGZPJMESA-N -1 0 396.443 2.895 50 0 GFAARM COC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000008986860 206771020 /nfs/dbraw/zinc/77/10/20/206771020.db2.gz DZYKCBQCBXIOEQ-CYBMUJFWSA-N -1 0 387.388 2.687 50 0 GFAARM CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)OC)c1C ZINC000017080795 207085331 /nfs/dbraw/zinc/08/53/31/207085331.db2.gz OZSUIVWESWOGIQ-MNOVXSKESA-N -1 0 395.433 2.625 50 0 GFAARM CCCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc(C)cc1C)c2=O ZINC000020177729 207181977 /nfs/dbraw/zinc/18/19/77/207181977.db2.gz JHSQMWQUWYIUJE-UHFFFAOYSA-N -1 0 375.454 2.508 50 0 GFAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)OCC)cc1 ZINC000020574885 207203976 /nfs/dbraw/zinc/20/39/76/207203976.db2.gz HJHKGPYWJWFVJG-UHFFFAOYSA-N -1 0 394.449 2.786 50 0 GFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000020578725 207204294 /nfs/dbraw/zinc/20/42/94/207204294.db2.gz ZJBUTCJAEBOQBO-UHFFFAOYSA-N -1 0 394.474 2.939 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)nc2sc(C)cn2c1=O ZINC000020921851 207218782 /nfs/dbraw/zinc/21/87/82/207218782.db2.gz VUDLIWVTHSLLPP-UHFFFAOYSA-N -1 0 399.881 2.836 50 0 GFAARM CNS(=O)(=O)c1ccc(-c2ccccc2OC(F)(F)F)c(C(=O)[O-])c1 ZINC000021950850 207243177 /nfs/dbraw/zinc/24/31/77/207243177.db2.gz VQNRPXDLKCXQPK-UHFFFAOYSA-N -1 0 375.324 2.859 50 0 GFAARM C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000023078013 207268797 /nfs/dbraw/zinc/26/87/97/207268797.db2.gz VVNGEJPYZFRLCB-STQMWFEESA-N -1 0 380.491 2.798 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(C)c4)c=3c2=O)c1 ZINC000023125752 207270550 /nfs/dbraw/zinc/27/05/50/207270550.db2.gz PSHHJFGMIIAYME-MSOLQXFVSA-N -1 0 380.404 2.818 50 0 GFAARM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC000024226002 207289371 /nfs/dbraw/zinc/28/93/71/207289371.db2.gz MAGPAOIUEJYFCP-UHFFFAOYSA-N -1 0 390.486 2.891 50 0 GFAARM CC(C)CNc1nnc(SCC(=O)N(CC(=O)[O-])c2ccccc2)s1 ZINC000024752732 207294591 /nfs/dbraw/zinc/29/45/91/207294591.db2.gz SWEVECVEXBEPEZ-UHFFFAOYSA-N -1 0 380.495 2.816 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000026527508 207314764 /nfs/dbraw/zinc/31/47/64/207314764.db2.gz VYYJOXWFNYHPMG-UHFFFAOYSA-N -1 0 375.855 2.553 50 0 GFAARM COc1c(C)ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1C ZINC000040072766 207573204 /nfs/dbraw/zinc/57/32/04/207573204.db2.gz NIDHVFSQTHFSLB-UHFFFAOYSA-N -1 0 377.466 2.677 50 0 GFAARM Cc1ccc2oc(C(=O)[N-]S(=O)(=O)N3CCc4sccc4C3)cc2c1 ZINC000069561906 207929123 /nfs/dbraw/zinc/92/91/23/207929123.db2.gz ZSAQKTTUSYUUMG-UHFFFAOYSA-N -1 0 376.459 2.836 50 0 GFAARM CC(=O)N1CCC[C@H]1C(=O)N1CCC(Cc2ccccc2Cl)(C(=O)[O-])CC1 ZINC000071759182 207954087 /nfs/dbraw/zinc/95/40/87/207954087.db2.gz ZIPAZASQYXHASG-KRWDZBQOSA-N -1 0 392.883 2.587 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000072401605 208014400 /nfs/dbraw/zinc/01/44/00/208014400.db2.gz MSHTXAVIIZARDT-UHFFFAOYSA-N -1 0 376.328 2.941 50 0 GFAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)c1ccccc1C(F)(F)F)C2 ZINC000072410646 208018307 /nfs/dbraw/zinc/01/83/07/208018307.db2.gz WPBVWGDXSLQKIX-UHFFFAOYSA-N -1 0 381.354 2.965 50 0 GFAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3nc4ccccc4[nH]c3=O)C2)cc1 ZINC000095373681 208168887 /nfs/dbraw/zinc/16/88/87/208168887.db2.gz USSGAWPPMULHFB-OAHLLOKOSA-N -1 0 377.400 2.641 50 0 GFAARM Cc1c2ccc(C)cc2oc1C(=O)N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000095384484 208175515 /nfs/dbraw/zinc/17/55/15/208175515.db2.gz YZKFIRDNRBLPIR-OAHLLOKOSA-N -1 0 384.432 2.587 50 0 GFAARM COc1ccccc1[C@H]1CNC(=O)c2nc(-c3nc(C(C)(C)C)no3)[n-]c2C1 ZINC000095502620 208205024 /nfs/dbraw/zinc/20/50/24/208205024.db2.gz SJPFJDXVAHLBAI-LLVKDONJSA-N -1 0 381.436 2.836 50 0 GFAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000096286260 208302427 /nfs/dbraw/zinc/30/24/27/208302427.db2.gz KKWVGFSDLXKNKU-DLBZAZTESA-N -1 0 386.358 2.509 50 0 GFAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000096286262 208303053 /nfs/dbraw/zinc/30/30/53/208303053.db2.gz KKWVGFSDLXKNKU-IRXDYDNUSA-N -1 0 386.358 2.509 50 0 GFAARM CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3)c(O)c12 ZINC000100224949 208374359 /nfs/dbraw/zinc/37/43/59/208374359.db2.gz ZCPNQXMNRGZWCC-NVXWUHKLSA-N -1 0 397.818 2.637 50 0 GFAARM CC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@H]1c1ccc(C(C)C)cc1 ZINC000101764463 208398412 /nfs/dbraw/zinc/39/84/12/208398412.db2.gz POUZVIFGFATEQF-HNNXBMFYSA-N -1 0 386.477 2.969 50 0 GFAARM CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002151842 208500527 /nfs/dbraw/zinc/50/05/27/208500527.db2.gz LUZBZTTVHIEOPE-BUXKBTBVSA-N -1 0 375.421 2.740 50 0 GFAARM COc1cc2cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)n(C)c2c(OC)c1OC ZINC000004000313 208516701 /nfs/dbraw/zinc/51/67/01/208516701.db2.gz CLUZASPYXRNKIN-MRXNPFEDSA-N -1 0 398.415 2.760 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC000120742901 209095609 /nfs/dbraw/zinc/09/56/09/209095609.db2.gz APLCRQFSDMRNGI-XJKSGUPXSA-N -1 0 384.432 2.854 50 0 GFAARM CCOC(=O)c1c(C)n(CCO)c2ccc(OCc3n[n-]c(=S)o3)cc21 ZINC000253598566 209044375 /nfs/dbraw/zinc/04/43/75/209044375.db2.gz DJQVRUCKLHMYIW-UHFFFAOYSA-N -1 0 377.422 2.743 50 0 GFAARM COc1ccccc1[C@H]1CCCN1CC(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC000299784820 209089260 /nfs/dbraw/zinc/08/92/60/209089260.db2.gz MYOHYDNQHLLTHB-CYBMUJFWSA-N -1 0 375.450 2.934 50 0 GFAARM CO[N-]C(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000008768060 221057204 /nfs/dbraw/zinc/05/72/04/221057204.db2.gz OQYWDHPCNXNEFO-SNVBAGLBSA-N -1 0 375.475 2.951 50 0 GFAARM Cc1cc(I)c(C(=O)[O-])c(I)c1 ZINC000095910969 222360697 /nfs/dbraw/zinc/36/06/97/222360697.db2.gz KVHAZRZKGVIBAU-UHFFFAOYSA-N -1 0 387.942 2.902 50 0 GFAARM CC(C)S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000268937426 519787240 /nfs/dbraw/zinc/78/72/40/519787240.db2.gz HPSFBVMQKSECPG-GOSISDBHSA-N -1 0 387.457 2.520 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCOc3ccccc32)cc1OC ZINC000268936041 525345832 /nfs/dbraw/zinc/34/58/32/525345832.db2.gz HSVYPFNDLSKBNE-HOTGVXAUSA-N -1 0 385.416 2.902 50 0 GFAARM C[C@@H]1Sc2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])cc2NC1=O ZINC000268941791 525626606 /nfs/dbraw/zinc/62/66/06/525626606.db2.gz KGZUSBNZMWLPRH-MEDUHNTESA-N -1 0 382.441 2.771 50 0 GFAARM O=C1N[C@H](c2ccsc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000006667776 551099750 /nfs/dbraw/zinc/09/97/50/551099750.db2.gz ICEPCWLFVBBDPY-OPQQBVKSSA-N -1 0 376.381 2.914 50 0 GFAARM O=C1N[C@H](c2ccsc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000006667777 551099829 /nfs/dbraw/zinc/09/98/29/551099829.db2.gz ICEPCWLFVBBDPY-GIPNMCIBSA-N -1 0 376.381 2.914 50 0 GFAARM O=c1[nH]c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2o1 ZINC000009560771 551104217 /nfs/dbraw/zinc/10/42/17/551104217.db2.gz ZBKIXUNDRKNKFA-UHFFFAOYSA-N -1 0 375.225 2.746 50 0 GFAARM Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022458817 551117174 /nfs/dbraw/zinc/11/71/74/551117174.db2.gz FAXCOGQKPGSPLL-CQSZACIVSA-N -1 0 377.901 2.795 50 0 GFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000032768717 551131997 /nfs/dbraw/zinc/13/19/97/551131997.db2.gz SFGDLMBKQGIUNU-INIZCTEOSA-N -1 0 381.837 2.781 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCS2 ZINC000032943791 551132478 /nfs/dbraw/zinc/13/24/78/551132478.db2.gz XZWMHSJPYOCHPA-UHFFFAOYSA-N -1 0 378.475 2.955 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)[C@H]1SCCc2ccccc21 ZINC000170645632 551637009 /nfs/dbraw/zinc/63/70/09/551637009.db2.gz KCLXCSXWKOVQDQ-HNNXBMFYSA-N -1 0 382.894 2.712 50 0 GFAARM Cc1csc(-c2ccc(C(=O)[N-]S(=O)(=O)CC3CCOCC3)cc2)n1 ZINC000170646112 551637147 /nfs/dbraw/zinc/63/71/47/551637147.db2.gz YELCPZPPWPDRTI-UHFFFAOYSA-N -1 0 380.491 2.605 50 0 GFAARM O=C([O-])[C@H](NC(=O)c1cnn2c1CCCC2)c1ccccc1Br ZINC000659190614 565205957 /nfs/dbraw/zinc/20/59/57/565205957.db2.gz OYZYIKBQYDWKGF-CQSZACIVSA-N -1 0 378.226 2.538 50 0 GFAARM O=C([O-])CCCCCNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O ZINC000049547666 570269405 /nfs/dbraw/zinc/26/94/05/570269405.db2.gz BAVKLPQOEVLGSW-UHFFFAOYSA-N -1 0 393.443 2.825 50 0 GFAARM O=S(=O)(C=C([O-])c1ccc(S(=O)(=O)c2ccccc2)o1)c1ccccc1 ZINC000004543059 570270376 /nfs/dbraw/zinc/27/03/76/570270376.db2.gz SLUBWCREKAIMCA-UHFFFAOYSA-N -1 0 390.438 2.769 50 0 GFAARM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000002813802 570304487 /nfs/dbraw/zinc/30/44/87/570304487.db2.gz QMFHXZLPSHSGLY-UHFFFAOYSA-N -1 0 398.444 2.847 50 0 GFAARM C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)[C@@H]1COc2ccccc21 ZINC000237494084 570373325 /nfs/dbraw/zinc/37/33/25/570373325.db2.gz WRZUACKPQQCZIU-CJNGLKHVSA-N -1 0 377.400 2.865 50 0 GFAARM O=C([O-])[C@H]1CC(=O)N(c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000004573406 570385426 /nfs/dbraw/zinc/38/54/26/570385426.db2.gz VTEBNADQXPDJHA-LBPRGKRZSA-N -1 0 388.807 2.795 50 0 GFAARM Cc1cccc(Cn2cccc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c2=O)c1 ZINC000237708549 570391073 /nfs/dbraw/zinc/39/10/73/570391073.db2.gz GROYVYIZWFNXBX-KRWDZBQOSA-N -1 0 382.460 2.922 50 0 GFAARM CC(C)CCn1c2nnc(-c3ccc(Cl)cc3)n2c2c1c(=O)nc([O-])n2C ZINC000010964416 570396629 /nfs/dbraw/zinc/39/66/29/570396629.db2.gz XJQPVYNDBIWLLN-UHFFFAOYSA-N -1 0 386.843 2.850 50 0 GFAARM Cc1nc(C)n(-c2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])cc2)n1 ZINC000237955485 570415220 /nfs/dbraw/zinc/41/52/20/570415220.db2.gz HBCBVZGACBVHEQ-LJQANCHMSA-N -1 0 376.416 2.536 50 0 GFAARM O=C([O-])c1cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)n(-c2ccccc2)n1 ZINC000237981112 570417870 /nfs/dbraw/zinc/41/78/70/570417870.db2.gz BGVOBCQKTDFZQI-QGZVFWFLSA-N -1 0 383.429 2.846 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000006542908 570472332 /nfs/dbraw/zinc/47/23/32/570472332.db2.gz CWYRRVAGMVIFFR-UHFFFAOYSA-N -1 0 396.465 2.522 50 0 GFAARM O=C([N-]O[C@@H]1CCCCO1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000120232092 570472575 /nfs/dbraw/zinc/47/25/75/570472575.db2.gz OTXNQEYIEJOCFM-GOSISDBHSA-N -1 0 379.416 2.633 50 0 GFAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCc3cccc(C)c3)C2=O)cc1 ZINC000006565452 570479232 /nfs/dbraw/zinc/47/92/32/570479232.db2.gz UVENQFZZEOVETA-NBVRZTHBSA-N -1 0 379.416 2.650 50 0 GFAARM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000002700427 570505004 /nfs/dbraw/zinc/50/50/04/570505004.db2.gz NWXNTFYWARZGFO-UHFFFAOYSA-N -1 0 384.251 2.641 50 0 GFAARM COc1ccc(-c2noc(-c3ccccc3[N-]S(C)(=O)=O)n2)cc1OC ZINC000033537397 570527602 /nfs/dbraw/zinc/52/76/02/570527602.db2.gz DTTXPVGWGFVBQF-UHFFFAOYSA-N -1 0 375.406 2.792 50 0 GFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccc(C)cc2OC)c1 ZINC000008745248 570539998 /nfs/dbraw/zinc/53/99/98/570539998.db2.gz ZJEMHYUMUVNZCV-UHFFFAOYSA-N -1 0 379.434 2.520 50 0 GFAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1O ZINC000005345955 570561189 /nfs/dbraw/zinc/56/11/89/570561189.db2.gz CDLBCVWWRJMNTR-NVNXTCNLSA-N -1 0 398.396 2.765 50 0 GFAARM CC(C)(C)OC(=O)N1CCC(c2nc(N3CCCC3)ncc2C(=O)[O-])CC1 ZINC000006769818 570579620 /nfs/dbraw/zinc/57/96/20/570579620.db2.gz PONSCJGDCLZNKU-UHFFFAOYSA-N -1 0 376.457 2.890 50 0 GFAARM COc1ccccc1C(=O)N[C@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O ZINC000005450873 570598953 /nfs/dbraw/zinc/59/89/53/570598953.db2.gz XTYNQPYNRANPFH-KRWDZBQOSA-N -1 0 390.321 2.799 50 0 GFAARM CCSc1nnc(-c2ccccc2NC(=O)[C@H](CC)n2cccn2)c(=O)[n-]1 ZINC000055393512 570694367 /nfs/dbraw/zinc/69/43/67/570694367.db2.gz RWDIODQGUZKQSQ-AWEZNQCLSA-N -1 0 384.465 2.730 50 0 GFAARM CCCCOc1c(Cl)cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OCC ZINC000262926766 570700333 /nfs/dbraw/zinc/70/03/33/570700333.db2.gz FTGLUCJBKHADLC-HNNXBMFYSA-N -1 0 385.844 2.843 50 0 GFAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)cc1 ZINC000065119417 570702715 /nfs/dbraw/zinc/70/27/15/570702715.db2.gz PERKPZHAOCKARJ-UHFFFAOYSA-N -1 0 389.458 2.512 50 0 GFAARM COc1ccc2c(c1)CCN2S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000058494634 570734432 /nfs/dbraw/zinc/73/44/32/570734432.db2.gz GQHRQNVRYBXPRG-UHFFFAOYSA-N -1 0 385.800 2.937 50 0 GFAARM O=C([O-])c1ccc(CNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000061720040 570743272 /nfs/dbraw/zinc/74/32/72/570743272.db2.gz DNOZALKSRNFRKD-UHFFFAOYSA-N -1 0 397.818 2.578 50 0 GFAARM O=C([O-])[C@H](NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)c1ccccc1 ZINC000061720180 570743311 /nfs/dbraw/zinc/74/33/11/570743311.db2.gz MISCWZKSLHWPOJ-LJQANCHMSA-N -1 0 397.818 2.506 50 0 GFAARM CCc1ccccc1NC(=O)[C@H](Cc1ccc(OC)cc1OC)c1nnn[n-]1 ZINC000005667814 570750463 /nfs/dbraw/zinc/75/04/63/570750463.db2.gz IIISEMBNUUKRCF-MRXNPFEDSA-N -1 0 381.436 2.744 50 0 GFAARM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccn2)C3=O)cc1 ZINC000003150565 570750958 /nfs/dbraw/zinc/75/09/58/570750958.db2.gz MBXBLIVVUCLTDW-UHFFFAOYSA-N -1 0 387.351 2.833 50 0 GFAARM COc1ccc(F)cc1CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013235106 570751131 /nfs/dbraw/zinc/75/11/31/570751131.db2.gz FTTGUALNWKVQKO-QGZVFWFLSA-N -1 0 385.395 2.811 50 0 GFAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc2c(=O)[nH]nc1-2 ZINC000524735145 570773685 /nfs/dbraw/zinc/77/36/85/570773685.db2.gz YZBFNAKLFJQNPF-ZDUSSCGKSA-N -1 0 375.768 2.593 50 0 GFAARM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC000299749916 570825233 /nfs/dbraw/zinc/82/52/33/570825233.db2.gz MBAHOVHUDBXDHQ-UHFFFAOYSA-N -1 0 379.372 2.571 50 0 GFAARM COc1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000299752804 570829427 /nfs/dbraw/zinc/82/94/27/570829427.db2.gz VMOLANSPNMSJQR-SFHVURJKSA-N -1 0 396.443 2.509 50 0 GFAARM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000012536269 570836100 /nfs/dbraw/zinc/83/61/00/570836100.db2.gz PCATZLRDZDNTPN-UHFFFAOYSA-N -1 0 388.898 2.829 50 0 GFAARM COc1cc(OC)cc(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC3CC3)c2)c1 ZINC000071575703 570840822 /nfs/dbraw/zinc/84/08/22/570840822.db2.gz KSTIQUKMTSSYLV-UHFFFAOYSA-N -1 0 377.418 2.510 50 0 GFAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000007428277 570842083 /nfs/dbraw/zinc/84/20/83/570842083.db2.gz JRJLJHXEIFAZSH-UHFFFAOYSA-N -1 0 390.442 2.588 50 0 GFAARM COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000004702415 570849661 /nfs/dbraw/zinc/84/96/61/570849661.db2.gz XAVVCGGMYMMXGN-ATTDUZETSA-N -1 0 396.399 2.640 50 0 GFAARM Cc1nn(C)c(C)c1Cn1nc(C)c(NC(=O)Cc2ccccc2C(=O)[O-])c1C ZINC000071282841 570889751 /nfs/dbraw/zinc/88/97/51/570889751.db2.gz OHZIWXSHFDDADB-UHFFFAOYSA-N -1 0 395.463 2.778 50 0 GFAARM CCOC(=O)C1CCN([C@H](c2ccco2)c2sc3nc(C)nn3c2[O-])CC1 ZINC000023158071 570920884 /nfs/dbraw/zinc/92/08/84/570920884.db2.gz JDFWIFGKKQADOX-CQSZACIVSA-N -1 0 390.465 2.762 50 0 GFAARM O=C([O-])CCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000017081456 570926988 /nfs/dbraw/zinc/92/69/88/570926988.db2.gz RPZDZVQYENRHPO-INIZCTEOSA-N -1 0 398.440 2.914 50 0 GFAARM COc1cc(OC)cc(C(=O)NC(=S)N=c2sc3ccccc3n2C)c1 ZINC000017149600 570928644 /nfs/dbraw/zinc/92/86/44/570928644.db2.gz YNUZZBDQPIBMPE-CZIZESTLSA-N -1 0 387.486 2.873 50 0 GFAARM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(Cl)c1 ZINC000012652766 570947515 /nfs/dbraw/zinc/94/75/15/570947515.db2.gz YVWLIOFYTMXGET-UHFFFAOYSA-N -1 0 386.882 2.582 50 0 GFAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCC[C@@H](CC(=O)[O-])OC ZINC000043772101 570969146 /nfs/dbraw/zinc/96/91/46/570969146.db2.gz UBKBNBIEPZZFBF-DHZSCDGNSA-N -1 0 386.529 2.892 50 0 in-vitro GFAARM COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000012738186 570979592 /nfs/dbraw/zinc/97/95/92/570979592.db2.gz ANFAPYJOHRHQPN-UHFFFAOYSA-N -1 0 383.809 2.934 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)CCO1 ZINC000299752858 599940947 /nfs/dbraw/zinc/94/09/47/599940947.db2.gz VUAQYFZQKCMZPZ-IBGZPJMESA-N -1 0 382.391 2.754 50 0 GFAARM COc1ccccc1/C=C(/C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000268937738 601738963 /nfs/dbraw/zinc/73/89/63/601738963.db2.gz CRPAFDIJMDTHGO-DYGKOUCMSA-N -1 0 381.428 2.938 50 0 GFAARM O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC000426389255 231212599 /nfs/dbraw/zinc/21/25/99/231212599.db2.gz LFWYOBYKMVZQDE-UHFFFAOYSA-N -1 0 388.431 2.747 50 0 GFAARM Cc1ccc(-c2cccc(C(=O)N3CCC[C@H](c4cc(=O)[nH]cn4)C3)c2)nn1 ZINC000426485552 231225782 /nfs/dbraw/zinc/22/57/82/231225782.db2.gz IQCLVGZKSKLDDY-KRWDZBQOSA-N -1 0 375.432 2.967 50 0 GFAARM COc1cc(/C=C/C(=O)N(CCC(=O)[O-])C2CCOCC2)cc(Cl)c1OC ZINC000328595417 206230556 /nfs/dbraw/zinc/23/05/56/206230556.db2.gz UQZNJKIURWQSDC-ONEGZZNKSA-N -1 0 397.855 2.853 50 0 GFAARM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000227186396 206260075 /nfs/dbraw/zinc/26/00/75/206260075.db2.gz MNRWYFOFRIKXGN-SJKOYZFVSA-N -1 0 387.436 2.685 50 0 GFAARM COC(=O)c1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)[C@H](C)C3 ZINC000299738233 206290496 /nfs/dbraw/zinc/29/04/96/206290496.db2.gz LPXNXUGLAJTIJT-LLVKDONJSA-N -1 0 378.384 2.863 50 0 GFAARM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1C ZINC000000786384 206320939 /nfs/dbraw/zinc/32/09/39/206320939.db2.gz LUSKCPVJZUZAPV-UHFFFAOYSA-N -1 0 390.461 2.976 50 0 GFAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000000945242 206336025 /nfs/dbraw/zinc/33/60/25/206336025.db2.gz AQQSKAPNJWFLNT-KSSFIOAISA-N -1 0 395.411 2.681 50 0 GFAARM CCOC(=O)c1cc(NC(=O)CSCC(=O)[O-])ccc1N1CCCCC1 ZINC000001030601 206343572 /nfs/dbraw/zinc/34/35/72/206343572.db2.gz BVWJKWVBMKRRAP-UHFFFAOYSA-N -1 0 380.466 2.610 50 0 GFAARM COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000001046855 206346347 /nfs/dbraw/zinc/34/63/47/206346347.db2.gz GHDITLZVLIOYGT-UHFFFAOYSA-N -1 0 385.825 2.945 50 0 GFAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)cc2)cc1OC ZINC000002869017 206442104 /nfs/dbraw/zinc/44/21/04/206442104.db2.gz CDHHSMDMBJXXSS-UHFFFAOYSA-N -1 0 385.825 2.637 50 0 GFAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000003399353 206476619 /nfs/dbraw/zinc/47/66/19/206476619.db2.gz IEVNWNRFKYDUGZ-SFHVURJKSA-N -1 0 384.432 2.952 50 0 GFAARM O=C([O-])C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000003444204 206480787 /nfs/dbraw/zinc/48/07/87/206480787.db2.gz KMCJCHZAMGFUNL-UHFFFAOYSA-N -1 0 381.400 2.772 50 0 GFAARM CCOC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)N(C)C)C(F)(F)F ZINC000008997156 206770727 /nfs/dbraw/zinc/77/07/27/206770727.db2.gz NKIOLFUPJBJTGM-AWEZNQCLSA-N -1 0 390.387 2.801 50 0 GFAARM O=C([O-])[C@@H](CCc1ccccc1)NC(=O)NCc1nc(-c2ccsc2)no1 ZINC000013239584 206972095 /nfs/dbraw/zinc/97/20/95/206972095.db2.gz HJROBNFZQLGANX-CQSZACIVSA-N -1 0 386.433 2.683 50 0 GFAARM CCOCCC1C(=O)N=C(SCC(=O)Nc2ccc(C(C)C)cc2)N=C1[O-] ZINC000013957227 207005981 /nfs/dbraw/zinc/00/59/81/207005981.db2.gz RTQFCPGHTFVXSL-UHFFFAOYSA-N -1 0 391.493 2.909 50 0 GFAARM CC(=O)Nc1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000015352806 207049299 /nfs/dbraw/zinc/04/92/99/207049299.db2.gz SPOSVIXOTGWBCM-GXDHUFHOSA-N -1 0 375.384 2.997 50 0 GFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000016294360 207074693 /nfs/dbraw/zinc/07/46/93/207074693.db2.gz QADZZZIOWJHBAT-KBPBESRZSA-N -1 0 394.855 2.642 50 0 GFAARM CCCCNC(=O)CCC1=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)[N-]1 ZINC000020940031 207221014 /nfs/dbraw/zinc/22/10/14/207221014.db2.gz CSNUTYVQFJVNOX-UHFFFAOYSA-N -1 0 377.388 2.724 50 0 GFAARM CN(C)[C@@H](CNC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccccc1Cl ZINC000024062418 207287286 /nfs/dbraw/zinc/28/72/86/207287286.db2.gz MCGXWJDPBOAWGH-KRWDZBQOSA-N -1 0 395.912 2.744 50 0 GFAARM CSc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000031555691 207382914 /nfs/dbraw/zinc/38/29/14/207382914.db2.gz GIVXNDOZFZZTIQ-UHFFFAOYSA-N -1 0 399.860 2.978 50 0 GFAARM Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cc1C ZINC000032081022 207390169 /nfs/dbraw/zinc/39/01/69/207390169.db2.gz NBCJXTFBWPARED-CQSZACIVSA-N -1 0 388.445 2.542 50 0 GFAARM COc1ccc(-c2nc(CC(=O)N[C@H](C(=O)[O-])C(C)C)cs2)cc1OC ZINC000032123908 207395600 /nfs/dbraw/zinc/39/56/00/207395600.db2.gz JSPDSJKDVBNJCJ-INIZCTEOSA-N -1 0 378.450 2.595 50 0 GFAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000299752933 207676244 /nfs/dbraw/zinc/67/62/44/207676244.db2.gz WAUGDAWTEPVNME-RYUDHWBXSA-N -1 0 381.215 2.863 50 0 GFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)n1 ZINC000064565328 207802123 /nfs/dbraw/zinc/80/21/23/207802123.db2.gz AHBTYLPGLAGZAV-IAGOWNOFSA-N -1 0 388.387 2.538 50 0 GFAARM COc1cccc(-c2c(-c3ccccc3)ncn2CCc2n[nH]c(=O)[n-]2)c1OC ZINC000067740480 207903758 /nfs/dbraw/zinc/90/37/58/207903758.db2.gz WUSHSBFCHXTBDS-UHFFFAOYSA-N -1 0 391.431 2.888 50 0 GFAARM NC(=O)[C@H]1CCCN1[C@H](C(=O)[O-])c1c[nH]c2ccc(OCc3ccccc3)cc21 ZINC000080350412 208077452 /nfs/dbraw/zinc/07/74/52/208077452.db2.gz QPDFYGBRIGZVIP-UXHICEINSA-N -1 0 393.443 2.822 50 0 GFAARM CC(=O)c1c(C)nn(CC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c1C ZINC000095363298 208164079 /nfs/dbraw/zinc/16/40/79/208164079.db2.gz AXMYPMBZYIKQMV-GOSISDBHSA-N -1 0 383.448 2.807 50 0 GFAARM Cc1cccc(OCC(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)c1 ZINC000095366471 208164507 /nfs/dbraw/zinc/16/45/07/208164507.db2.gz JXWOBDQGNUBLJF-HTAPYJJXSA-N -1 0 381.428 2.538 50 0 GFAARM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095377026 208169540 /nfs/dbraw/zinc/16/95/40/208169540.db2.gz RYUYMSDVCGCEHL-AWEZNQCLSA-N -1 0 397.884 2.648 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)cc1C(=O)[O-] ZINC000095425073 208181578 /nfs/dbraw/zinc/18/15/78/208181578.db2.gz XYUWVUVCRLZFHT-AWEZNQCLSA-N -1 0 382.482 2.582 50 0 GFAARM CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1)C(=O)[O-] ZINC000095970434 208248741 /nfs/dbraw/zinc/24/87/41/208248741.db2.gz IGKJYUPICDCGFI-OAHLLOKOSA-N -1 0 394.424 2.528 50 0 GFAARM COc1ccccc1NC(=O)C1CCN(c2nc3[n-]cnc(=O)c3s2)CC1 ZINC000096331558 208308876 /nfs/dbraw/zinc/30/88/76/208308876.db2.gz NIJKUASQBQBKOH-UHFFFAOYSA-N -1 0 385.449 2.656 50 0 GFAARM C[C@@H](c1nc(C2CCOCC2)nn1-c1cccc(C(=O)[O-])c1)N1CCCC1=O ZINC000096162787 208280623 /nfs/dbraw/zinc/28/06/23/208280623.db2.gz RHBDOVWYXFUBRL-ZDUSSCGKSA-N -1 0 384.436 2.543 50 0 GFAARM COc1cc([C@@H]2CC(=O)Nc3ccc4nsnc4c32)ccc1OCC(=O)[O-] ZINC000096231329 208291538 /nfs/dbraw/zinc/29/15/38/208291538.db2.gz AORQGTXOFNAEQQ-JTQLQIEISA-N -1 0 385.401 2.637 50 0 GFAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(N)=O)c1=O ZINC000100673863 208379400 /nfs/dbraw/zinc/37/94/00/208379400.db2.gz KVLUCCFTMFMQKM-UHFFFAOYSA-N -1 0 379.416 2.858 50 0 GFAARM CCOc1ccc(-n2c(O)c3n(-c4cccc(C)c4)[n-]c(C(C)=O)c-3c2=O)cc1 ZINC000100982823 208386332 /nfs/dbraw/zinc/38/63/32/208386332.db2.gz XJBNOZBZSXDAQZ-AZUAARDMSA-N -1 0 391.427 2.717 50 0 GFAARM COc1cccc(C2=NO[C@@H]3C(=O)N(c4c(C)cccc4C)C(O)=C23)c1OC ZINC000101313277 208390808 /nfs/dbraw/zinc/39/08/08/208390808.db2.gz OIJBVVIAPHMQHN-BEFAXECRSA-N -1 0 380.400 2.613 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1OC ZINC000101418189 208394274 /nfs/dbraw/zinc/39/42/74/208394274.db2.gz JXQMVERQSGIIMI-ZWKOTPCHSA-N -1 0 380.404 2.506 50 0 GFAARM COc1cc2c(cc1OC)C(=O)O[C@@H](c1ccc(OC)c(OC)c1C(=O)[O-])N2 ZINC000002151018 208500998 /nfs/dbraw/zinc/50/09/98/208500998.db2.gz RALFJHSOWLDVNC-KRWDZBQOSA-N -1 0 389.360 2.700 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC000120743322 209095584 /nfs/dbraw/zinc/09/55/84/209095584.db2.gz APLCRQFSDMRNGI-CJNGLKHVSA-N -1 0 384.432 2.854 50 0 GFAARM O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000252571475 209036879 /nfs/dbraw/zinc/03/68/79/209036879.db2.gz XZLPSQYCOIRYNI-MRXNPFEDSA-N -1 0 397.456 2.630 50 0 GFAARM C[C@@H]1CN(c2ccc(NC(=O)C[C@]3(C(=O)[O-])CCSC3)cc2F)C[C@H](C)O1 ZINC000071846847 136166863 /nfs/dbraw/zinc/16/68/63/136166863.db2.gz IODVYTRKSYWVOX-QHRIQVFBSA-N -1 0 396.484 2.976 50 0 GFAARM COc1ccc(CNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC000299748713 518150874 /nfs/dbraw/zinc/15/08/74/518150874.db2.gz HYGYHYWPPUBTTB-PBHICJAKSA-N -1 0 396.443 2.619 50 0 GFAARM C[C@]1(C(=O)[O-])CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000269024328 525227439 /nfs/dbraw/zinc/22/74/39/525227439.db2.gz JJYBYAMOJHPLFQ-KRWDZBQOSA-N -1 0 399.896 2.750 50 0 GFAARM CCCS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000408513209 528819333 /nfs/dbraw/zinc/81/93/33/528819333.db2.gz RYRDFQSNXJQOJO-SFHVURJKSA-N -1 0 387.457 2.522 50 0 GFAARM Cn1c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2n(C)c1=O ZINC000004938219 551095511 /nfs/dbraw/zinc/09/55/11/551095511.db2.gz CQEULNDVDMHKSJ-UHFFFAOYSA-N -1 0 386.260 2.985 50 0 GFAARM CCOc1cc(Cl)c(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1Cl ZINC000011566077 551107497 /nfs/dbraw/zinc/10/74/97/551107497.db2.gz KSQDRWPCNUUDKV-UHFFFAOYSA-N -1 0 382.265 2.877 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc(Br)cnc2N)cc1Cl ZINC000020467657 551115624 /nfs/dbraw/zinc/11/56/24/551115624.db2.gz AFQJIHVFORUFEG-UHFFFAOYSA-N -1 0 392.662 2.889 50 0 GFAARM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2s1 ZINC000033298987 551133743 /nfs/dbraw/zinc/13/37/43/551133743.db2.gz SYVRMCCDQKXURV-UHFFFAOYSA-N -1 0 386.451 2.640 50 0 GFAARM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000120935810 551223377 /nfs/dbraw/zinc/22/33/77/551223377.db2.gz PCWKBDTYFVJVFK-UHFFFAOYSA-N -1 0 375.372 2.510 50 0 GFAARM O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc(Br)c(Cl)c1F ZINC000225692640 553060357 /nfs/dbraw/zinc/06/03/57/553060357.db2.gz MEKWUMQKKZLTCD-UHFFFAOYSA-N -1 0 399.669 2.702 50 0 GFAARM CC(C)Cc1nnc(C[N-]S(=O)(=O)c2sccc2Br)o1 ZINC000225832279 553060470 /nfs/dbraw/zinc/06/04/70/553060470.db2.gz ANZDVADPQHKYIV-UHFFFAOYSA-N -1 0 380.289 2.571 50 0 GFAARM C[C@H]1C[C@H](NC(=O)c2s[n-]c(=O)c2Cl)c2ccsc2S1(=O)=O ZINC000291973421 563767785 /nfs/dbraw/zinc/76/77/85/563767785.db2.gz IMWHKRVSJYQCPK-FSPLSTOPSA-N -1 0 378.884 2.601 50 0 GFAARM CCn1nc(C)c([C@@H](C)NS(=O)(=O)c2cc(Cl)sc2C(=O)[O-])c1C ZINC000670441490 565724274 /nfs/dbraw/zinc/72/42/74/565724274.db2.gz ZWYKGVULVODLMP-MRVPVSSYSA-N -1 0 391.902 2.972 50 0 GFAARM CC(=O)N[C@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1c(F)cccc1F ZINC000236717704 570253488 /nfs/dbraw/zinc/25/34/88/570253488.db2.gz ZTHXNQCHVPWCOL-XJKSGUPXSA-N -1 0 382.407 2.636 50 0 GFAARM CC(C)(C)OC(=O)N[C@@H](Cc1cccc(I)c1)C(=O)[O-] ZINC000002385584 570285384 /nfs/dbraw/zinc/28/53/84/570285384.db2.gz MPTBEGFNTNOLNZ-NSHDSACASA-N -1 0 391.205 2.812 50 0 GFAARM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000072015984 570287239 /nfs/dbraw/zinc/28/72/39/570287239.db2.gz LPEMEGQOFQSSCV-STQMWFEESA-N -1 0 376.400 2.656 50 0 GFAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)CCOc1cc(C)ccc1C ZINC000015940511 570298984 /nfs/dbraw/zinc/29/89/84/570298984.db2.gz LQWFWUTWCQXZBU-UHFFFAOYSA-N -1 0 385.416 2.581 50 0 GFAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1cncc(Br)c1 ZINC000004758677 570404035 /nfs/dbraw/zinc/40/40/35/570404035.db2.gz AXNAZCFSQXGZQI-UHFFFAOYSA-N -1 0 380.223 2.669 50 0 GFAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000004809331 570407053 /nfs/dbraw/zinc/40/70/53/570407053.db2.gz PLEKOYUYTRQDMN-UHFFFAOYSA-N -1 0 392.433 2.730 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1OCCc2ccccc21 ZINC000237939415 570413808 /nfs/dbraw/zinc/41/38/08/570413808.db2.gz SRZVEVGRLPUBAK-OALUTQOASA-N -1 0 382.391 2.733 50 0 GFAARM O=C([O-])c1ccc(CCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)cc1 ZINC000191647760 570421222 /nfs/dbraw/zinc/42/12/22/570421222.db2.gz FPLACMDAQPBDSS-SFHVURJKSA-N -1 0 386.835 2.671 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CCO1 ZINC000238143766 570428292 /nfs/dbraw/zinc/42/82/92/570428292.db2.gz NHARZAFNLXILSV-CQSZACIVSA-N -1 0 384.413 2.996 50 0 GFAARM CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000005158298 570430391 /nfs/dbraw/zinc/43/03/91/570430391.db2.gz KYGQIECXFZGJHA-SFHVURJKSA-N -1 0 390.399 2.966 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCOc3ccccc32)cc1OC ZINC000268936044 570478012 /nfs/dbraw/zinc/47/80/12/570478012.db2.gz HSVYPFNDLSKBNE-JKSUJKDBSA-N -1 0 385.416 2.902 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@H]2c2ccccn2)cc1 ZINC000006485695 570481553 /nfs/dbraw/zinc/48/15/53/570481553.db2.gz QQEIWZZBTKCXES-LJQANCHMSA-N -1 0 394.456 2.850 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000268944374 570488973 /nfs/dbraw/zinc/48/89/73/570488973.db2.gz LYHLCOAGOHEJGD-QGZVFWFLSA-N -1 0 399.834 2.521 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2C(=O)NCC2CC2)cc1 ZINC000006814761 570495056 /nfs/dbraw/zinc/49/50/56/570495056.db2.gz ADURWHNJBWXJSI-UHFFFAOYSA-N -1 0 387.461 2.645 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)c1C ZINC000006604472 570495686 /nfs/dbraw/zinc/49/56/86/570495686.db2.gz JWJOIBYGPZURAD-UHFFFAOYSA-N -1 0 377.418 2.964 50 0 GFAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N(C)C[C@H]2COCCO2)cc1 ZINC000064820314 570555439 /nfs/dbraw/zinc/55/54/39/570555439.db2.gz ZNKWVPNLJBCDFZ-KRWDZBQOSA-N -1 0 384.432 2.797 50 0 GFAARM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc21 ZINC000064861923 570570161 /nfs/dbraw/zinc/57/01/61/570570161.db2.gz GDAXJXVFQCINDA-UHFFFAOYSA-N -1 0 389.477 2.978 50 0 GFAARM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3ccccc3)s2)cc1 ZINC000006817755 570620621 /nfs/dbraw/zinc/62/06/21/570620621.db2.gz XGXKLVSJANJHDW-UHFFFAOYSA-N -1 0 388.474 2.577 50 0 GFAARM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccccc3OC(F)(F)F)cc12 ZINC000060331643 570661496 /nfs/dbraw/zinc/66/14/96/570661496.db2.gz WDEDAVAQAXOAEG-UHFFFAOYSA-N -1 0 386.355 2.976 50 0 GFAARM COc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000005624715 570673846 /nfs/dbraw/zinc/67/38/46/570673846.db2.gz WRRLOOLERXMPBW-AQTBWJFISA-N -1 0 395.415 2.668 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2ccc(OC)c(OC)c2)cc1 ZINC000013188631 570750122 /nfs/dbraw/zinc/75/01/22/570750122.db2.gz DYCFHXLWEUYTQR-QGZVFWFLSA-N -1 0 387.432 2.977 50 0 GFAARM Cc1nn(CC(=O)[O-])c2c1[C@H](c1cc(C)cc(C)c1-n1cccn1)CC(=O)N2 ZINC000065526882 570771700 /nfs/dbraw/zinc/77/17/00/570771700.db2.gz GUKACXAYTSVNGG-AWEZNQCLSA-N -1 0 379.420 2.553 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000033114675 570812829 /nfs/dbraw/zinc/81/28/29/570812829.db2.gz CIRAHGWUCDKOPO-HZPDHXFCSA-N -1 0 386.795 2.855 50 0 GFAARM COc1ccc(C(=O)N(Cc2ccccc2)c2nn3c([n-]2)nc(C)cc3=O)cc1 ZINC000101813317 570835865 /nfs/dbraw/zinc/83/58/65/570835865.db2.gz YGYHTJUSVFAMRJ-UHFFFAOYSA-N -1 0 389.415 2.582 50 0 GFAARM CC(C)n1nccc1NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000101943662 570838721 /nfs/dbraw/zinc/83/87/21/570838721.db2.gz KNEBVGDGVRGBHE-UHFFFAOYSA-N -1 0 377.470 2.572 50 0 GFAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC[C@@H]3CCCO3)cc2[n-]c1=S ZINC000102043478 570839469 /nfs/dbraw/zinc/83/94/69/570839469.db2.gz KVFUDCGVNDOCDO-OCCSQVGLSA-N -1 0 375.494 2.783 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccc2c1OCCO2 ZINC000065644712 570846588 /nfs/dbraw/zinc/84/65/88/570846588.db2.gz MCXTUTHMWLOVDG-UHFFFAOYSA-N -1 0 387.335 2.595 50 0 GFAARM Cc1cccc(C(=O)N2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)[O-])C2)c1 ZINC000072131779 570868937 /nfs/dbraw/zinc/86/89/37/570868937.db2.gz PCRHDECZUPRMIP-CVEARBPZSA-N -1 0 384.407 2.936 50 0 GFAARM COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4)C(O)=C23)c(OC)c1 ZINC000103532595 570885631 /nfs/dbraw/zinc/88/56/31/570885631.db2.gz JMVNJQPOMSFTND-DOTOQJQBSA-N -1 0 386.791 2.650 50 0 GFAARM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1)N1CCCC1 ZINC000013848755 570902378 /nfs/dbraw/zinc/90/23/78/570902378.db2.gz KFCLALIMGQMPML-UHFFFAOYSA-N -1 0 380.416 2.931 50 0 GFAARM COc1ccc2oc(C(=O)OCC(=O)[N-]C(=O)c3ccccc3OC)c(C)c2c1 ZINC000023080093 570902463 /nfs/dbraw/zinc/90/24/63/570902463.db2.gz NXYUDLNDMYVULC-UHFFFAOYSA-N -1 0 397.383 2.872 50 0 GFAARM Cc1cc2ncc(C(=O)NCc3nc4cc(C(C)(C)C)ccc4o3)c(=O)n2[n-]1 ZINC000534579011 570902526 /nfs/dbraw/zinc/90/25/26/570902526.db2.gz OXJCTPXJQCASHN-UHFFFAOYSA-N -1 0 379.420 2.700 50 0 GFAARM Cn1nccc1CNC(=O)c1cc(Br)cc(Br)c1[O-] ZINC000032914490 570924937 /nfs/dbraw/zinc/92/49/37/570924937.db2.gz LKGCFLWEDLOXNZ-UHFFFAOYSA-N -1 0 389.047 2.581 50 0 GFAARM Cc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=O)CCC(=O)[O-])cc2)s1 ZINC000017080617 570927047 /nfs/dbraw/zinc/92/70/47/570927047.db2.gz MZQKTHMGSBLTEP-VIFPVBQESA-N -1 0 394.478 2.769 50 0 GFAARM Cc1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c(C)n1-c1nccs1 ZINC000237671854 570944534 /nfs/dbraw/zinc/94/45/34/570944534.db2.gz WFLZICODHCHDRT-UHFFFAOYSA-N -1 0 377.466 2.647 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1OC ZINC000033274049 570949507 /nfs/dbraw/zinc/94/95/07/570949507.db2.gz OIFCTHPZOAEFMR-IAGOWNOFSA-N -1 0 384.367 2.649 50 0 GFAARM O=C([O-])C[C@H](NC(=O)NCc1ccccn1)c1cccc(Br)c1 ZINC000069351676 654980513 /nfs/dbraw/zinc/98/05/13/654980513.db2.gz RUGQURMCIVWFKN-AWEZNQCLSA-N -1 0 378.226 2.859 50 0 GFAARM CN(Cc1nc2c(s1)CCCC2)C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000426594838 530022591 /nfs/dbraw/zinc/02/25/91/530022591.db2.gz LHKXFRCYUYEOPL-UHFFFAOYSA-N -1 0 380.495 2.561 50 0 GFAARM CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)NCCCCCC(=O)[O-] ZINC000002097792 206292280 /nfs/dbraw/zinc/29/22/80/206292280.db2.gz LHAGUWAPZDDHDN-UHFFFAOYSA-N -1 0 375.421 2.804 50 0 GFAARM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000000674231 206316034 /nfs/dbraw/zinc/31/60/34/206316034.db2.gz XGMBPVWRFOHEDW-UHFFFAOYSA-N -1 0 392.433 2.689 50 0 GFAARM CN1c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)c3cccc(c23)C1=O ZINC000000816437 206324167 /nfs/dbraw/zinc/32/41/67/206324167.db2.gz BLEGSMPCBQYWFG-UHFFFAOYSA-N -1 0 382.397 2.929 50 0 GFAARM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000917506 206333104 /nfs/dbraw/zinc/33/31/04/206333104.db2.gz VUZMHNWFFOJGJX-CQSZACIVSA-N -1 0 398.444 2.683 50 0 GFAARM CCOC(=O)c1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000000915026 206333131 /nfs/dbraw/zinc/33/31/31/206333131.db2.gz JINXIVDKQJHFGO-INIZCTEOSA-N -1 0 399.424 2.986 50 0 GFAARM CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000001088062 206350735 /nfs/dbraw/zinc/35/07/35/206350735.db2.gz IIYSHQJDIJQHLK-HOTGVXAUSA-N -1 0 382.482 2.547 50 0 GFAARM O=C1c2ccccc2N[C@H](c2ccccn2)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001421361 206380351 /nfs/dbraw/zinc/38/03/51/206380351.db2.gz NQMNTDNUBVEXTO-SFHVURJKSA-N -1 0 380.429 2.542 50 0 GFAARM O=c1[nH]c(CSC2=NC(=O)C(Cc3ccccc3)C([O-])=N2)nc2ccccc12 ZINC000001425156 206380959 /nfs/dbraw/zinc/38/09/59/206380959.db2.gz JFQSFWNRIJYFAZ-UHFFFAOYSA-N -1 0 392.440 2.595 50 0 GFAARM CCn1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000001460410 206382691 /nfs/dbraw/zinc/38/26/91/206382691.db2.gz BGZONIBVLOVGMX-HUUCEWRRSA-N -1 0 388.468 2.571 50 0 GFAARM O=C([O-])c1ccc(-n2cccc2/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000001896626 206394600 /nfs/dbraw/zinc/39/46/00/206394600.db2.gz POLYHMGFJSSGDP-PDGQHHTCSA-N -1 0 387.420 2.946 50 0 GFAARM CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])sc2c1 ZINC000002503181 206420283 /nfs/dbraw/zinc/42/02/83/206420283.db2.gz SUINWZINFPLMBA-MNOVXSKESA-N -1 0 382.463 2.529 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000002689170 206428474 /nfs/dbraw/zinc/42/84/74/206428474.db2.gz HMEFWBBNVCXWGL-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)ccc21 ZINC000006729071 206666843 /nfs/dbraw/zinc/66/68/43/206666843.db2.gz KVDOXOLQDOBAAI-UHFFFAOYSA-N -1 0 390.461 2.804 50 0 GFAARM O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1cccs1 ZINC000006864861 206686862 /nfs/dbraw/zinc/68/68/62/206686862.db2.gz RHSCBLHUFBJOAZ-CQSZACIVSA-N -1 0 384.486 2.513 50 0 GFAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)OCCO3)O[C@H](C)C2 ZINC000012552334 206911202 /nfs/dbraw/zinc/91/12/02/206911202.db2.gz RUOLAVASKRXOSW-GFCCVEGCSA-N -1 0 391.445 2.981 50 0 GFAARM CC(=O)Oc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000019782284 207161015 /nfs/dbraw/zinc/16/10/15/207161015.db2.gz KJFKDKDBXYVKOY-MRXNPFEDSA-N -1 0 385.397 2.734 50 0 GFAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cn1C ZINC000020467524 207196608 /nfs/dbraw/zinc/19/66/08/207196608.db2.gz NIWRYZKICLHBSS-UHFFFAOYSA-N -1 0 392.355 2.901 50 0 GFAARM CC[C@@H](NC(=O)c1cc(C)[nH]c2nc(=O)[n-]c(=O)c1-2)C12CC3CC(CC(C3)C1)C2 ZINC000020607260 207206091 /nfs/dbraw/zinc/20/60/91/207206091.db2.gz YHDKKOZGXYWBNS-CPUAJEGOSA-N -1 0 396.491 2.645 50 0 GFAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000021650750 207234040 /nfs/dbraw/zinc/23/40/40/207234040.db2.gz YHHCOXBRJZTESK-UHFFFAOYSA-N -1 0 382.825 2.870 50 0 GFAARM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)c1 ZINC000026536317 207316304 /nfs/dbraw/zinc/31/63/04/207316304.db2.gz IQGSZMBUYNTRJC-UHFFFAOYSA-N -1 0 396.852 2.629 50 0 GFAARM Cc1nccc(-c2ccccc2)c1C(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072407501 208016084 /nfs/dbraw/zinc/01/60/84/208016084.db2.gz XLFWFIWAZSEQEV-UHFFFAOYSA-N -1 0 390.443 2.927 50 0 GFAARM Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C(=O)[O-])cc(-c3cccs3)c12 ZINC000073666844 208036786 /nfs/dbraw/zinc/03/67/86/208036786.db2.gz RUOAFLASEVQYFF-SNVBAGLBSA-N -1 0 377.447 2.526 50 0 GFAARM Cn1nc([N-]S(=O)(=O)c2cccnc2)c2c1cccc2Oc1cccnc1 ZINC000077472010 208046327 /nfs/dbraw/zinc/04/63/27/208046327.db2.gz FWKYMWDCTSLZSO-UHFFFAOYSA-N -1 0 381.417 2.956 50 0 GFAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2)c1C ZINC000085597898 208100649 /nfs/dbraw/zinc/10/06/49/208100649.db2.gz QRAVYRAXMLLQTM-UHFFFAOYSA-N -1 0 382.438 2.626 50 0 GFAARM C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000089895262 208110659 /nfs/dbraw/zinc/11/06/59/208110659.db2.gz JVBQWQIDXLGCHL-XJKSGUPXSA-N -1 0 394.518 2.924 50 0 GFAARM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1cc(F)c(F)cc1F ZINC000089878841 208112105 /nfs/dbraw/zinc/11/21/05/208112105.db2.gz FQUTXPVOIYOVFQ-UHFFFAOYSA-N -1 0 389.742 2.524 50 0 GFAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCn3c(=O)[nH]c4ccccc43)C2)cc1 ZINC000095361504 208162241 /nfs/dbraw/zinc/16/22/41/208162241.db2.gz AWCYLTVTMFLMDU-QGZVFWFLSA-N -1 0 393.443 2.824 50 0 GFAARM COc1ccccc1NC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)[O-])C1 ZINC000095367210 208164983 /nfs/dbraw/zinc/16/49/83/208164983.db2.gz CWODVVSNPSDLIN-YCRPNKLZSA-N -1 0 382.416 2.865 50 0 GFAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2ccc(-n3nccn3)cc2)cc1 ZINC000095389807 208174310 /nfs/dbraw/zinc/17/43/10/208174310.db2.gz ZALXIVWELGBAGD-UHFFFAOYSA-N -1 0 388.387 2.712 50 0 GFAARM O=C([O-])[C@H](CNC(=O)c1ccc(Cn2cccn2)cc1)Cc1ccccc1F ZINC000095425383 208181975 /nfs/dbraw/zinc/18/19/75/208181975.db2.gz XXCGFLGFBLMMOT-SFHVURJKSA-N -1 0 381.407 2.744 50 0 GFAARM CCCc1nc(C)cc(N2C[C@@H]3c4cccc(OC)c4OC[C@]3(C(=O)[O-])C2)n1 ZINC000095502263 208204810 /nfs/dbraw/zinc/20/48/10/208204810.db2.gz BKQQGQSNKNLVAL-QVKFZJNVSA-N -1 0 383.448 2.813 50 0 GFAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000095526279 208226281 /nfs/dbraw/zinc/22/62/81/208226281.db2.gz VBDFNDYGDORKQJ-QGZVFWFLSA-N -1 0 391.475 2.792 50 0 GFAARM COC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101112310 208388558 /nfs/dbraw/zinc/38/85/58/208388558.db2.gz JIOWDABCXAKUTG-NVXWUHKLSA-N -1 0 397.818 2.556 50 0 GFAARM CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3)c(O)c12 ZINC000100224953 208374065 /nfs/dbraw/zinc/37/40/65/208374065.db2.gz ZCPNQXMNRGZWCC-RDJZCZTQSA-N -1 0 397.818 2.637 50 0 GFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c3=4)n2)c1 ZINC000101277476 208389562 /nfs/dbraw/zinc/38/95/62/208389562.db2.gz ZEPNXIUTZSOGPU-SJORKVTESA-N -1 0 388.387 2.538 50 0 GFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1 ZINC000101352902 208391583 /nfs/dbraw/zinc/39/15/83/208391583.db2.gz YFCBCBBFPDTAFR-RBUKOAKNSA-N -1 0 391.431 2.544 50 0 GFAARM C[C@@H](C(=O)N(CC(=O)[O-])C1CCOCC1)c1ccc(Br)s1 ZINC000237447827 208465119 /nfs/dbraw/zinc/46/51/19/208465119.db2.gz NBFSHYADPUUEGN-SECBINFHSA-N -1 0 376.272 2.706 50 0 GFAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)NCc1ccco1 ZINC000008977745 208701254 /nfs/dbraw/zinc/70/12/54/208701254.db2.gz NCGIMZPAXOEQBC-UHFFFAOYSA-N -1 0 377.447 2.775 50 0 GFAARM CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855224 208856615 /nfs/dbraw/zinc/85/66/15/208856615.db2.gz GFMMMTRHVPSSLF-OAHLLOKOSA-N -1 0 394.447 2.883 50 0 GFAARM O=C([O-])CC[C@]1(CCC(=O)NCc2cc3cc(Cl)ccc3[nH]2)CCC(=O)N1 ZINC000222890949 208887320 /nfs/dbraw/zinc/88/73/20/208887320.db2.gz MSUGZYBIMPRKJY-IBGZPJMESA-N -1 0 391.855 2.731 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c(F)c1 ZINC000252498637 209034876 /nfs/dbraw/zinc/03/48/76/209034876.db2.gz RGNCOVJWVTYUJO-UHFFFAOYSA-N -1 0 378.425 2.871 50 0 GFAARM O=C1[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CCOC[C@@H]32)C(=O)N1c1ccccc1 ZINC000025185161 136202822 /nfs/dbraw/zinc/20/28/22/136202822.db2.gz TVBCTALBKNVSJY-IIBYNOLFSA-N -1 0 395.390 2.697 50 0 GFAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CCO1 ZINC000262705418 527636272 /nfs/dbraw/zinc/63/62/72/527636272.db2.gz DBVARTZRJQUXEJ-ZDUSSCGKSA-N -1 0 389.429 2.502 50 0 GFAARM CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1 ZINC000000910335 551091861 /nfs/dbraw/zinc/09/18/61/551091861.db2.gz DTLJOSDLAPXGLZ-LFIBNONCSA-N -1 0 386.249 2.977 50 0 GFAARM O=C([O-])C[C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccc(Cl)cc1 ZINC000004126540 551094296 /nfs/dbraw/zinc/09/42/96/551094296.db2.gz SGQLMLKFYNQNOY-GFCCVEGCSA-N -1 0 397.865 2.839 50 0 GFAARM COc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1Br ZINC000003886254 551094504 /nfs/dbraw/zinc/09/45/04/551094504.db2.gz MRDCGNWZIAKLBP-UHFFFAOYSA-N -1 0 386.223 2.957 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCC2)c1 ZINC000009549447 551103593 /nfs/dbraw/zinc/10/35/93/551103593.db2.gz XTCGFEGTSQSLFL-UHFFFAOYSA-N -1 0 380.853 2.995 50 0 GFAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1O ZINC000013464517 551109012 /nfs/dbraw/zinc/10/90/12/551109012.db2.gz ZCKPBAIANMKQJN-UHFFFAOYSA-N -1 0 377.296 2.790 50 0 GFAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)cc1 ZINC000015245930 551110945 /nfs/dbraw/zinc/11/09/45/551110945.db2.gz YMSWDVGFLWWQMY-UHFFFAOYSA-N -1 0 385.825 2.945 50 0 GFAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCCC2)c2ccc(Br)cc21 ZINC000040268218 551134553 /nfs/dbraw/zinc/13/45/53/551134553.db2.gz XGYKNLAGKJMMMO-HNNXBMFYSA-N -1 0 381.226 2.710 50 0 GFAARM C[C@@H](CS(=O)(=O)[N-]C(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1 ZINC000167003794 551633019 /nfs/dbraw/zinc/63/30/19/551633019.db2.gz GVDJSUAJJODQQL-WFASDCNBSA-N -1 0 380.491 2.858 50 0 GFAARM O=C([O-])C[C@H]1CN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CCO1 ZINC000238048350 553085466 /nfs/dbraw/zinc/08/54/66/553085466.db2.gz HOSRNZYYOXIVJT-OEMOTLHWSA-N -1 0 377.746 2.988 50 0 GFAARM COc1cc(OC)c([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC ZINC000002121626 560186465 /nfs/dbraw/zinc/18/64/65/560186465.db2.gz UCESPARULGXJHG-MGPUTAFESA-N -1 0 382.416 2.882 50 0 biogenic,in-vitro GFAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](C)C(=O)[O-])OC(C)(C)CC3 ZINC000012902234 570288774 /nfs/dbraw/zinc/28/87/74/570288774.db2.gz UULHXXLAXQLMPW-LBPRGKRZSA-N -1 0 387.432 2.727 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002556588 570290681 /nfs/dbraw/zinc/29/06/81/570290681.db2.gz SIRPVCUJLVXZPW-IBGZPJMESA-N -1 0 377.400 2.944 50 0 GFAARM COc1ccc(C2=NO[C@](CC(=O)[O-])(C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1 ZINC000015972720 570304114 /nfs/dbraw/zinc/30/41/14/570304114.db2.gz ICFQFTHRDZUGKL-OAQYLSRUSA-N -1 0 396.399 2.874 50 0 GFAARM O=C(CCc1nnc(-c2ccc(F)c(F)c2)[n-]c1=O)NCCc1ccccc1 ZINC000034768344 570333517 /nfs/dbraw/zinc/33/35/17/570333517.db2.gz FRACFXGFYVSGKD-UHFFFAOYSA-N -1 0 384.386 2.814 50 0 GFAARM COC(OC)c1nc(SCC(=O)Nc2cccc(Cl)c2)ncc1C(=O)[O-] ZINC000004394696 570373501 /nfs/dbraw/zinc/37/35/01/570373501.db2.gz MRIMVJIYNRHMCB-UHFFFAOYSA-N -1 0 397.840 2.850 50 0 GFAARM CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000004598915 570386559 /nfs/dbraw/zinc/38/65/59/570386559.db2.gz XGJGWYRHLPSMLW-SJORKVTESA-N -1 0 378.469 2.943 50 0 GFAARM O=C([O-])CC[C@@]1(CCC(=O)N2CC=C(c3ccc(F)cc3)CC2)CCC(=O)N1 ZINC000220533881 570388178 /nfs/dbraw/zinc/38/81/78/570388178.db2.gz NGRDABNBRVSJPL-NRFANRHFSA-N -1 0 388.439 2.735 50 0 GFAARM O=C([O-])CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000005055097 570406935 /nfs/dbraw/zinc/40/69/35/570406935.db2.gz RCQGXBJJYCUPHF-NVNXTCNLSA-N -1 0 393.226 2.965 50 0 GFAARM O=C([O-])c1cc(C(=O)N2CCO[C@H](c3cccs3)C2)n(-c2ccccc2)n1 ZINC000237981391 570417809 /nfs/dbraw/zinc/41/78/09/570417809.db2.gz WHDQKEDZAYWWKZ-INIZCTEOSA-N -1 0 383.429 2.846 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F ZINC000123761574 570418732 /nfs/dbraw/zinc/41/87/32/570418732.db2.gz HLUUQBKJUOVPKI-NWDGAFQWSA-N -1 0 386.376 2.501 50 0 GFAARM CCc1ccc(NC(=O)[C@@H](Cc2ccc(OC)cc2OC)c2nnn[n-]2)cc1 ZINC000005444920 570439922 /nfs/dbraw/zinc/43/99/22/570439922.db2.gz TZTPJWKGWKKMMI-KRWDZBQOSA-N -1 0 381.436 2.744 50 0 GFAARM CCOc1ccccc1NC(=O)[C@@H](Cc1ccc(OC)cc1OC)c1nnn[n-]1 ZINC000005444733 570439944 /nfs/dbraw/zinc/43/99/44/570439944.db2.gz XDDIOHKOJHKREK-HNNXBMFYSA-N -1 0 397.435 2.581 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000136108278 570472303 /nfs/dbraw/zinc/47/23/03/570472303.db2.gz BREKILRDFPTFFU-IAQYHMDHSA-N -1 0 399.274 2.921 50 0 GFAARM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000006267347 570474757 /nfs/dbraw/zinc/47/47/57/570474757.db2.gz BDKDPMZRSIRTCL-ZDUSSCGKSA-N -1 0 389.477 2.839 50 0 GFAARM CC(C)Oc1ccc(-c2nc(C(=O)N3CCOC[C@H]3C(=O)[O-])cs2)cc1 ZINC000268970198 570497526 /nfs/dbraw/zinc/49/75/26/570497526.db2.gz GMLRLCFTAGYLTQ-HNNXBMFYSA-N -1 0 376.434 2.523 50 0 GFAARM CCOC(=O)c1ccc(C(=O)OCC)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000002801103 570516832 /nfs/dbraw/zinc/51/68/32/570516832.db2.gz LMIYGGSMPMMYTQ-KGLIPLIRSA-N -1 0 389.404 2.646 50 0 GFAARM CCn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000002809386 570519877 /nfs/dbraw/zinc/51/98/77/570519877.db2.gz DOLNZHMTHIGWGW-HUUCEWRRSA-N -1 0 390.484 2.795 50 0 GFAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NC[C@H]1CCCO1 ZINC000002970210 570523770 /nfs/dbraw/zinc/52/37/70/570523770.db2.gz YWLSHUIZXSTGHX-CQSZACIVSA-N -1 0 375.494 2.915 50 0 GFAARM COc1cc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])ccc1OCC(F)(F)F ZINC000269090290 570524012 /nfs/dbraw/zinc/52/40/12/570524012.db2.gz SBRJCKSUWDCCLG-GFCCVEGCSA-N -1 0 375.343 2.645 50 0 GFAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000005252612 570529523 /nfs/dbraw/zinc/52/95/23/570529523.db2.gz OUMHURVHNMFTCK-UHFFFAOYSA-N -1 0 394.474 2.919 50 0 GFAARM CCC(=O)N[C@]([N-]c1nc2ccc(C)cc2s1)(C(=O)OC)C(F)(F)F ZINC000009111253 570549567 /nfs/dbraw/zinc/54/95/67/570549567.db2.gz CKCFPCZAXNOESO-AWEZNQCLSA-N -1 0 375.372 2.974 50 0 GFAARM COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000036293790 570562956 /nfs/dbraw/zinc/56/29/56/570562956.db2.gz XVRJYMMZMYYTEE-KRWDZBQOSA-N -1 0 379.434 2.875 50 0 GFAARM O=C([O-])Cn1c2c3c(sc2c(=O)n(-c2cccc(Cl)c2)c1=O)CCCC3 ZINC000006760298 570574852 /nfs/dbraw/zinc/57/48/52/570574852.db2.gz SMFATZMGFYSGFK-UHFFFAOYSA-N -1 0 390.848 2.831 50 0 GFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000006778487 570584946 /nfs/dbraw/zinc/58/49/46/570584946.db2.gz PIDIAUZZNYHZJV-UHFFFAOYSA-N -1 0 388.445 2.528 50 0 GFAARM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000005516125 570623677 /nfs/dbraw/zinc/62/36/77/570623677.db2.gz QMTPYQCQLBVMJJ-UHFFFAOYSA-N -1 0 398.506 2.527 50 0 GFAARM CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004598916 570631578 /nfs/dbraw/zinc/63/15/78/570631578.db2.gz XGJGWYRHLPSMLW-DLBZAZTESA-N -1 0 378.469 2.943 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c(OC)c1 ZINC000006878172 570669627 /nfs/dbraw/zinc/66/96/27/570669627.db2.gz XAADMHOPZKSBNM-LBPRGKRZSA-N -1 0 390.461 2.802 50 0 GFAARM O=C([O-])c1cccc(-c2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cn3)o2)c1 ZINC000012436730 570675344 /nfs/dbraw/zinc/67/53/44/570675344.db2.gz JBNCXCFLLLZPIV-UHFFFAOYSA-N -1 0 380.316 2.712 50 0 GFAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2OC)ccc1O ZINC000036392693 570677132 /nfs/dbraw/zinc/67/71/32/570677132.db2.gz NXOJCHOQMOMIDH-UHFFFAOYSA-N -1 0 385.825 2.950 50 0 GFAARM COC(=O)C[C@@H]1CC(=O)C2=C([O-])c3c(c(Br)ccc3OC)[C@H]2C1 ZINC000055529250 570696025 /nfs/dbraw/zinc/69/60/25/570696025.db2.gz KIBDKRPJUGKECL-IQMYEBEASA-N -1 0 381.222 2.896 50 0 GFAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000097940941 570742741 /nfs/dbraw/zinc/74/27/41/570742741.db2.gz JWMGJBZMJJCUAT-UHFFFAOYSA-N -1 0 388.449 2.789 50 0 GFAARM CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000013173314 570749703 /nfs/dbraw/zinc/74/97/03/570749703.db2.gz DFOFIOYRFORAAK-HNNXBMFYSA-N -1 0 381.837 2.689 50 0 GFAARM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)cc1 ZINC000007050504 570764831 /nfs/dbraw/zinc/76/48/31/570764831.db2.gz UAPBXOCTZZVKMH-UHFFFAOYSA-N -1 0 398.366 2.656 50 0 GFAARM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000012521355 570828339 /nfs/dbraw/zinc/82/83/39/570828339.db2.gz SCMFKOCCZVXGSK-UHFFFAOYSA-N -1 0 389.296 2.600 50 0 GFAARM CCN(CCCNC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000012526143 570830793 /nfs/dbraw/zinc/83/07/93/570830793.db2.gz APZYLSMIKZDYSS-UHFFFAOYSA-N -1 0 375.494 2.705 50 0 GFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)n1 ZINC000101893855 570838357 /nfs/dbraw/zinc/83/83/57/570838357.db2.gz AHBTYLPGLAGZAV-DLBZAZTESA-N -1 0 388.387 2.538 50 0 GFAARM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc2c1OCCO2 ZINC000065647764 570846637 /nfs/dbraw/zinc/84/66/37/570846637.db2.gz QHRXOMVHULLNPU-UHFFFAOYSA-N -1 0 394.257 2.945 50 0 GFAARM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102654542 570855962 /nfs/dbraw/zinc/85/59/62/570855962.db2.gz XZDJTLCFDWBOEW-MLGOLLRUSA-N -1 0 375.494 2.547 50 0 GFAARM COc1cccc(C[C@H](C(=O)Nc2cc(C)ccc2C)c2nnn[n-]2)c1OC ZINC000005682081 570898281 /nfs/dbraw/zinc/89/82/81/570898281.db2.gz LARINEIHABWTII-HNNXBMFYSA-N -1 0 381.436 2.799 50 0 GFAARM Cc1nnc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)CCC(=O)[O-])cc2)s1 ZINC000017080616 570927015 /nfs/dbraw/zinc/92/70/15/570927015.db2.gz MZQKTHMGSBLTEP-SECBINFHSA-N -1 0 394.478 2.769 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)NC3CCCC3)cs2)cc1 ZINC000012628214 570928076 /nfs/dbraw/zinc/92/80/76/570928076.db2.gz BAUQEHDMNZFPKW-UHFFFAOYSA-N -1 0 381.479 2.625 50 0 GFAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002098085 570941785 /nfs/dbraw/zinc/94/17/85/570941785.db2.gz SENWQXATZZWXQH-IBGZPJMESA-N -1 0 381.384 2.682 50 0 GFAARM CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002150764 570972627 /nfs/dbraw/zinc/97/26/27/570972627.db2.gz SVCBOTIKJUIHHB-WFASDCNBSA-N -1 0 375.421 2.801 50 0 GFAARM Cc1cccn2cc(COc3ccccc3C(=O)N3CC[C@H](C(=O)[O-])C3)nc12 ZINC000178274957 570974374 /nfs/dbraw/zinc/97/43/74/570974374.db2.gz BCFYYNBFVUEQBM-HNNXBMFYSA-N -1 0 379.416 2.768 50 0 GFAARM CCn1c(=O)c2ccc(C(=O)N[C@H]3CCCCC[C@H]3OC)cc2[n-]c1=S ZINC000170653350 570999551 /nfs/dbraw/zinc/99/95/51/570999551.db2.gz UZPXGKVIPMIQIL-GOEBONIOSA-N -1 0 375.494 2.783 50 0 GFAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000299753897 597009023 /nfs/dbraw/zinc/00/90/23/597009023.db2.gz ZSCZOOIQWQMNAP-CZUORRHYSA-N -1 0 386.370 2.548 50 0 GFAARM CN1C(=O)CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000299740587 600615350 /nfs/dbraw/zinc/61/53/50/600615350.db2.gz AHOJJRLGFLGDCZ-DUVNUKRYSA-N -1 0 398.381 2.548 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCc3sccc3C2)c(Br)o1 ZINC000055312964 602142803 /nfs/dbraw/zinc/14/28/03/602142803.db2.gz KKOSHKZZMPBUGA-UHFFFAOYSA-N -1 0 392.252 2.549 50 0 GFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(I)c(C)c2)c1 ZINC000096305734 655030660 /nfs/dbraw/zinc/03/06/60/655030660.db2.gz HDQQMXHZAOZICA-UHFFFAOYSA-N -1 0 388.230 3.104 50 0 GFAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000017079630 210202543 /nfs/dbraw/zinc/20/25/43/210202543.db2.gz BZLMHLGLEYHFPS-AWEZNQCLSA-N -1 0 390.461 2.605 50 0 GFAARM COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000016777153 210197002 /nfs/dbraw/zinc/19/70/02/210197002.db2.gz NRLDPSMKZFEKMO-UHFFFAOYSA-N -1 0 382.445 2.907 50 0 GFAARM COc1cccc(C(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000015861940 210173856 /nfs/dbraw/zinc/17/38/56/210173856.db2.gz NGCXXPDQQJJZCN-UHFFFAOYSA-N -1 0 377.447 2.929 50 0 GFAARM O=C([O-])/C=C/C(=O)N1N=C(c2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000013624865 210071960 /nfs/dbraw/zinc/07/19/60/210071960.db2.gz VDVUGOMPHNCACZ-XTXLJPNXSA-N -1 0 395.802 2.765 50 0 GFAARM CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCC(=O)[O-])cc1 ZINC000013132523 210052751 /nfs/dbraw/zinc/05/27/51/210052751.db2.gz XRZCNCRRHZQFAJ-XMHGGMMESA-N -1 0 396.443 2.836 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000013260032 210055407 /nfs/dbraw/zinc/05/54/07/210055407.db2.gz SHROZJSOCXJVOI-IBGZPJMESA-N -1 0 391.427 2.720 50 0 GFAARM CNS(=O)(=O)c1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc(C)c1C ZINC000012992841 210042828 /nfs/dbraw/zinc/04/28/28/210042828.db2.gz DTIHMANQXRSJRF-RMKNXTFCSA-N -1 0 388.445 2.562 50 0 GFAARM Cc1nc(-c2ccccn2)sc1C(=O)[N-]N1C(=O)NC2(CCC(C)CC2)C1=O ZINC000012851954 210018409 /nfs/dbraw/zinc/01/84/09/210018409.db2.gz CWAGEIDANJUWIZ-UHFFFAOYSA-N -1 0 399.476 2.659 50 0 GFAARM O=C([O-])C1CCN(C(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)CC1 ZINC000009341666 209824728 /nfs/dbraw/zinc/82/47/28/209824728.db2.gz LTEUXNCXFMBRGV-UHFFFAOYSA-N -1 0 397.475 2.526 50 0 GFAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000006243950 209639807 /nfs/dbraw/zinc/63/98/07/209639807.db2.gz AKJGASBGHDUTCR-UHFFFAOYSA-N -1 0 378.450 2.644 50 0 GFAARM CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000006244066 209638848 /nfs/dbraw/zinc/63/88/48/209638848.db2.gz OQGKXYLPHLWRSS-UHFFFAOYSA-N -1 0 390.461 2.789 50 0 GFAARM CCn1cc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c(C(=O)NCC(C)C)n1 ZINC000004465828 209488219 /nfs/dbraw/zinc/48/82/19/209488219.db2.gz AYLKFRZVXMXFIJ-LSDHHAIUSA-N -1 0 390.484 2.675 50 0 GFAARM CCOC(=O)c1ccc(C(=O)OCC)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000002801100 209386310 /nfs/dbraw/zinc/38/63/10/209386310.db2.gz LMIYGGSMPMMYTQ-UONOGXRCSA-N -1 0 389.404 2.646 50 0 GFAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000002564501 209369559 /nfs/dbraw/zinc/36/95/59/209369559.db2.gz XINBRUNUJFZFGH-MOPGFXCFSA-N -1 0 398.459 2.750 50 0 GFAARM Cc1cc(OCC(=O)NCC(=O)[O-])c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002433398 209364013 /nfs/dbraw/zinc/36/40/13/209364013.db2.gz PLAVYWKNFBQIBZ-UHFFFAOYSA-N -1 0 395.411 2.580 50 0 GFAARM COc1cc(/C=C2/SC(=O)N(CCCC(=O)[O-])C2=O)cc(OC)c1OC ZINC000002417253 209362810 /nfs/dbraw/zinc/36/28/10/209362810.db2.gz WVJIZXHAXSCGID-UKTHLTGXSA-N -1 0 381.406 2.614 50 0 GFAARM CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cccc(C(=O)[O-])c1 ZINC000002415448 209362414 /nfs/dbraw/zinc/36/24/14/209362414.db2.gz FTKJZTQQOQYRET-UHFFFAOYSA-N -1 0 381.392 2.898 50 0 GFAARM CCn1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000001460412 209329579 /nfs/dbraw/zinc/32/95/79/209329579.db2.gz BGZONIBVLOVGMX-CABCVRRESA-N -1 0 388.468 2.571 50 0 GFAARM CCc1c([O-])nc(SCC(=O)N(CC)CC)n(-c2ccccc2C)c1=O ZINC000001231053 209315611 /nfs/dbraw/zinc/31/56/11/209315611.db2.gz GJVIMSGKCRMKAH-UHFFFAOYSA-N -1 0 375.494 2.769 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)cc1OC ZINC000000665676 209257067 /nfs/dbraw/zinc/25/70/67/209257067.db2.gz JUXZVQDJOOUZPG-UHFFFAOYSA-N -1 0 392.477 2.890 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000136108144 212071085 /nfs/dbraw/zinc/07/10/85/212071085.db2.gz IDNPLVYDEXPIEB-NSHDSACASA-N -1 0 378.226 2.572 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c(OC)c1 ZINC000005329495 211565649 /nfs/dbraw/zinc/56/56/49/211565649.db2.gz IAWOMARRVZGAHZ-UHFFFAOYSA-N -1 0 376.434 2.631 50 0 GFAARM O=C([O-])CSc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(F)cc1 ZINC000004168700 211535882 /nfs/dbraw/zinc/53/58/82/211535882.db2.gz GSEHETBVXPOKBY-UHFFFAOYSA-N -1 0 396.403 2.887 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)c1cccs1 ZINC000238170295 211477873 /nfs/dbraw/zinc/47/78/73/211477873.db2.gz MSRKRWXONAVFTD-CQSZACIVSA-N -1 0 376.409 2.960 50 0 GFAARM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237681196 211474909 /nfs/dbraw/zinc/47/49/09/211474909.db2.gz QOKADHJYWLERPZ-SNVBAGLBSA-N -1 0 382.775 2.758 50 0 GFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c3=4)n2)c1 ZINC000101277473 211396298 /nfs/dbraw/zinc/39/62/98/211396298.db2.gz ZEPNXIUTZSOGPU-IRXDYDNUSA-N -1 0 388.387 2.538 50 0 GFAARM CCCn1c2ccccc2c([O-])c(C(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000100562544 211389566 /nfs/dbraw/zinc/38/95/66/211389566.db2.gz HUAFCKDTTZVBLF-UHFFFAOYSA-N -1 0 380.400 2.776 50 0 GFAARM CCc1ccc(S(=O)(=O)[N-]c2nc3ccc(Br)cn3n2)s1 ZINC000097164868 211360100 /nfs/dbraw/zinc/36/01/00/211360100.db2.gz GRXLKQABSUWMDB-UHFFFAOYSA-N -1 0 387.284 2.917 50 0 GFAARM O=C(Nc1cc(F)cc(F)c1)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000096361056 211336667 /nfs/dbraw/zinc/33/66/67/211336667.db2.gz DMUHVMQSOWLLMX-UHFFFAOYSA-N -1 0 378.360 2.741 50 0 GFAARM Cc1cnn(-c2ccc(C(N)=O)cc2[N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000095460456 211244497 /nfs/dbraw/zinc/24/44/97/211244497.db2.gz JKBPWIVCCIEBFR-UHFFFAOYSA-N -1 0 390.490 2.759 50 0 GFAARM O=C([O-])[C@@]12CN(C(=O)C3(c4ccccc4F)CC3)C[C@@H]1c1ccccc1OC2 ZINC000095386731 211233777 /nfs/dbraw/zinc/23/37/77/211233777.db2.gz PKKHAAOMPNMDID-OPAMFIHVSA-N -1 0 381.403 2.947 50 0 GFAARM CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000095372189 211227724 /nfs/dbraw/zinc/22/77/24/211227724.db2.gz HUBQQHLGSNOCKL-QGZVFWFLSA-N -1 0 387.457 2.808 50 0 GFAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)c3cccc(-n4cnnc4)c3)C2)c1 ZINC000095362397 211226528 /nfs/dbraw/zinc/22/65/28/211226528.db2.gz PHXJZIWSROISEF-INIZCTEOSA-N -1 0 376.416 2.670 50 0 GFAARM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)c1noc(C)n1 ZINC000078808821 211148700 /nfs/dbraw/zinc/14/87/00/211148700.db2.gz CPWKXGVEZBWNPL-KRWDZBQOSA-N -1 0 391.424 2.902 50 0 GFAARM CCc1ccccc1C(=O)N1CCC2(C[C@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1 ZINC000072423836 211115789 /nfs/dbraw/zinc/11/57/89/211115789.db2.gz DLSCOXRRIWAQGL-GOSISDBHSA-N -1 0 384.476 2.567 50 0 GFAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1ccccc1Cn1cccn1)C2 ZINC000072424428 211115630 /nfs/dbraw/zinc/11/56/30/211115630.db2.gz JRVKOWLQHXRYCY-UHFFFAOYSA-N -1 0 379.464 2.551 50 0 GFAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000072147010 211077015 /nfs/dbraw/zinc/07/70/15/211077015.db2.gz TZGWYYJWVKGOGJ-UHFFFAOYSA-N -1 0 391.445 2.854 50 0 GFAARM O=C([O-])c1cc(-c2cccc(O)c2)cc(S(=O)(=O)NCc2ccccn2)c1 ZINC000072141898 211074253 /nfs/dbraw/zinc/07/42/53/211074253.db2.gz CMMZDGPXJVBAKA-UHFFFAOYSA-N -1 0 384.413 2.631 50 0 GFAARM CN(CCCC(=O)[O-])C(=O)C[C@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071761320 211058037 /nfs/dbraw/zinc/05/80/37/211058037.db2.gz QYTYQQPDUDJTCV-HSZRJFAPSA-N -1 0 394.471 2.857 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1cc(C(=O)Nc2cccnc2)ccc1Cl ZINC000071284516 211043815 /nfs/dbraw/zinc/04/38/15/211043815.db2.gz VNRYIJJERXDRHL-UHFFFAOYSA-N -1 0 397.778 2.728 50 0 GFAARM O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)c1cccc3cccnc31)CC2 ZINC000067803760 211023532 /nfs/dbraw/zinc/02/35/32/211023532.db2.gz RVFGRACMXUYCRH-UHFFFAOYSA-N -1 0 376.416 2.738 50 0 GFAARM COc1ccc(OC)c(C[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[n-]2)c1 ZINC000027839647 210518549 /nfs/dbraw/zinc/51/85/49/210518549.db2.gz GQUCBGVMLASUIM-QGZVFWFLSA-N -1 0 381.436 2.799 50 0 GFAARM CCCn1c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2oc1=O ZINC000021156107 210377869 /nfs/dbraw/zinc/37/78/69/210377869.db2.gz UGCQOQXHEJQFOM-UHFFFAOYSA-N -1 0 392.433 2.823 50 0 GFAARM COc1ccc2c(ccn2CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000020762030 210360840 /nfs/dbraw/zinc/36/08/40/210360840.db2.gz FLSRXHAKOWBIRZ-IBGZPJMESA-N -1 0 391.427 2.943 50 0 GFAARM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1cc(-c2cc[nH]n2)cs1 ZINC000065112327 136159168 /nfs/dbraw/zinc/15/91/68/136159168.db2.gz NRIMXZARUANCCN-UHFFFAOYSA-N -1 0 390.490 2.776 50 0 GFAARM Nc1cc(N2CCC(Cc3ccccc3C(F)(F)F)(C(=O)[O-])CC2)nc(N)n1 ZINC000071745610 136166075 /nfs/dbraw/zinc/16/60/75/136166075.db2.gz IFXQVUJANHOYBW-UHFFFAOYSA-N -1 0 395.385 2.574 50 0 GFAARM O=C([O-])c1ccc(N2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)nc1 ZINC000095356357 136177977 /nfs/dbraw/zinc/17/79/77/136177977.db2.gz MJGWZJJCPJHGFD-UHFFFAOYSA-N -1 0 394.475 2.627 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000268957912 526271937 /nfs/dbraw/zinc/27/19/37/526271937.db2.gz ZGRIUKUQQXXNQF-CYBMUJFWSA-N -1 0 399.896 2.750 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1CCOc2ccccc21 ZINC000238209202 527646764 /nfs/dbraw/zinc/64/67/64/527646764.db2.gz QSPPYEOQIHMNSL-SJLPKXTDSA-N -1 0 382.391 2.985 50 0 GFAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000003329810 551092798 /nfs/dbraw/zinc/09/27/98/551092798.db2.gz ITFYQUPJJORYBL-UHFFFAOYSA-N -1 0 389.401 2.686 50 0 GFAARM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022465872 551117941 /nfs/dbraw/zinc/11/79/41/551117941.db2.gz PCWZLOBSDPMDJZ-CQSZACIVSA-N -1 0 377.901 2.795 50 0 GFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000237642395 553080006 /nfs/dbraw/zinc/08/00/06/553080006.db2.gz UYWMTSRUPUJRIL-QGZVFWFLSA-N -1 0 396.281 2.821 50 0 GFAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C1CCOCC1 ZINC000238103902 553086082 /nfs/dbraw/zinc/08/60/82/553086082.db2.gz GLCSTPAHHQSDFF-LSDHHAIUSA-N -1 0 382.254 2.645 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)C[C@H]1CCCO1 ZINC000238215575 553086754 /nfs/dbraw/zinc/08/67/54/553086754.db2.gz GAAUVGANZHICQS-IUODEOHRSA-N -1 0 395.253 2.611 50 0 GFAARM Cc1cc(-c2noc(C[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)n2)no1 ZINC000238928734 553087222 /nfs/dbraw/zinc/08/72/22/553087222.db2.gz UWPJVSWQCAHFFG-UHFFFAOYSA-N -1 0 389.220 2.818 50 0 GFAARM C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000668293232 565638206 /nfs/dbraw/zinc/63/82/06/565638206.db2.gz WSZGOPQVSJKABJ-SRMUXQRQSA-N -1 0 396.281 2.891 50 0 GFAARM O=C([O-])c1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1 ZINC000001282763 570260035 /nfs/dbraw/zinc/26/00/35/570260035.db2.gz XCVSBUSZMRFZHL-UHFFFAOYSA-N -1 0 389.824 2.745 50 0 GFAARM Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)c(C)c1 ZINC000002986646 570323372 /nfs/dbraw/zinc/32/33/72/570323372.db2.gz WGVQQWMVKFQCFA-CMDGGOBGSA-N -1 0 388.445 2.992 50 0 GFAARM COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205948750 570327727 /nfs/dbraw/zinc/32/77/27/570327727.db2.gz BCJPQQHPGQQEQM-INIZCTEOSA-N -1 0 382.416 2.882 50 0 GFAARM CCCCOc1ccc(-c2nnc(CCC(=O)NCCCOC)c(=O)[n-]2)cc1 ZINC000034763312 570333159 /nfs/dbraw/zinc/33/31/59/570333159.db2.gz GNQSNXWYVLYIPI-UHFFFAOYSA-N -1 0 388.468 2.508 50 0 GFAARM O=C(c1csc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1)N1CCCC1 ZINC000035405102 570351762 /nfs/dbraw/zinc/35/17/62/570351762.db2.gz MHWHLDHCNVLEDB-UHFFFAOYSA-N -1 0 394.474 2.556 50 0 GFAARM O=C(c1ccc([O-])c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000024177784 570380066 /nfs/dbraw/zinc/38/00/66/570380066.db2.gz KMJLWTYSFJTQNJ-UHFFFAOYSA-N -1 0 388.851 2.775 50 0 GFAARM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237604259 570382259 /nfs/dbraw/zinc/38/22/59/570382259.db2.gz IJQRBOCUSUCBSZ-GOSISDBHSA-N -1 0 379.819 2.969 50 0 GFAARM O=S1(=O)CC[C@@H]([N-]C(=S)SCc2ccccc2Br)C1 ZINC000004531300 570382389 /nfs/dbraw/zinc/38/23/89/570382389.db2.gz UTLJHPMPJMKBNK-SNVBAGLBSA-N -1 0 380.354 2.744 50 0 GFAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1nccs1 ZINC000012361090 570391571 /nfs/dbraw/zinc/39/15/71/570391571.db2.gz AZECZMWKVCVLGJ-UHFFFAOYSA-N -1 0 388.883 2.639 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C(C)C ZINC000004999148 570392329 /nfs/dbraw/zinc/39/23/29/570392329.db2.gz DTCWXTJJNBGZOU-UHFFFAOYSA-N -1 0 389.477 2.810 50 0 GFAARM Cc1c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)nnn1-c1ccccc1Cl ZINC000237747054 570405091 /nfs/dbraw/zinc/40/50/91/570405091.db2.gz KYXDZSJPVKYPSE-ZDUSSCGKSA-N -1 0 376.844 2.946 50 0 GFAARM COc1cc2nc(O)c(C(=O)NCCCc3ccccc3)c([O-])c2cc1OC ZINC000018213289 570406567 /nfs/dbraw/zinc/40/65/67/570406567.db2.gz DMFMOJHTULMMTF-UHFFFAOYSA-N -1 0 382.416 2.614 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1CCOc2ccccc21 ZINC000237936478 570413852 /nfs/dbraw/zinc/41/38/52/570413852.db2.gz QSPPYEOQIHMNSL-AEFFLSMTSA-N -1 0 382.391 2.985 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1CCOc2ccccc21 ZINC000237938627 570413989 /nfs/dbraw/zinc/41/39/89/570413989.db2.gz QSPPYEOQIHMNSL-WMZOPIPTSA-N -1 0 382.391 2.985 50 0 GFAARM O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc([O-])c(Cl)c1 ZINC000025685990 570417980 /nfs/dbraw/zinc/41/79/80/570417980.db2.gz UFIJBNPTTBLZQC-QGZVFWFLSA-N -1 0 378.831 2.988 50 0 GFAARM Cc1cccc2c3c([nH]c21)CCN(C(=O)CC[C@]1(CCC(=O)[O-])CCC(=O)N1)C3 ZINC000222747415 570423889 /nfs/dbraw/zinc/42/38/89/570423889.db2.gz YNVSXIUHVJANDL-QFIPXVFZSA-N -1 0 397.475 2.655 50 0 GFAARM Cc1c(O)ccc2c(C)c(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc12 ZINC000011865552 570440930 /nfs/dbraw/zinc/44/09/30/570440930.db2.gz XZPIZMLYRLBCTP-OAHLLOKOSA-N -1 0 375.421 2.664 50 0 GFAARM COc1ccc(-c2nc(CC(=O)N[C@@H](CCSC)C(=O)[O-])cs2)cc1 ZINC000011866058 570441387 /nfs/dbraw/zinc/44/13/87/570441387.db2.gz BRCOECWKJPAGPQ-AWEZNQCLSA-N -1 0 380.491 2.684 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000136108209 570472033 /nfs/dbraw/zinc/47/20/33/570472033.db2.gz BREKILRDFPTFFU-XHDPSFHLSA-N -1 0 399.274 2.921 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000268953179 570494336 /nfs/dbraw/zinc/49/43/36/570494336.db2.gz USAGAUPNLUZWAI-XKQJLSEDSA-N -1 0 383.448 2.902 50 0 GFAARM O=C(C[C@H]1Sc2cc(C(=O)[O-])ccc2NC1=O)Nc1ccc2c(c1)OCO2 ZINC000061720618 570502808 /nfs/dbraw/zinc/50/28/08/570502808.db2.gz LLKMYTVPJSPIQP-OAHLLOKOSA-N -1 0 386.385 2.555 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C1 ZINC000268954472 570507884 /nfs/dbraw/zinc/50/78/84/570507884.db2.gz XADAODQYMITSKY-QGZVFWFLSA-N -1 0 387.457 2.597 50 0 GFAARM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(-n3cccn3)c(F)c2)c1 ZINC000078814921 570509603 /nfs/dbraw/zinc/50/96/03/570509603.db2.gz QDVQPDDBOOMDMW-UHFFFAOYSA-N -1 0 379.344 2.650 50 0 GFAARM CCOc1ccccc1N1CCN(C(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])CC1 ZINC000006715191 570547656 /nfs/dbraw/zinc/54/76/56/570547656.db2.gz SLONXHAASRIKPK-ZGIUJUBFSA-N -1 0 386.492 2.871 50 0 GFAARM COC(=O)[C@]([N-]c1nc2ccc(Cl)cc2s1)(NC(C)=O)C(F)(F)F ZINC000009109243 570549519 /nfs/dbraw/zinc/54/95/19/570549519.db2.gz GYBGZPJVRHCFAX-GFCCVEGCSA-N -1 0 381.763 2.929 50 0 GFAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2OC)c(C)n1C ZINC000064863336 570571984 /nfs/dbraw/zinc/57/19/84/570571984.db2.gz UZTMIOIGEOWOOX-UHFFFAOYSA-N -1 0 380.466 2.936 50 0 GFAARM Cc1c(S(=O)(=O)[N-]c2cccc(F)c2)cc(C(=O)N2CCCCC2)n1C ZINC000064922208 570593629 /nfs/dbraw/zinc/59/36/29/570593629.db2.gz WHYZVEJOVVFLJJ-UHFFFAOYSA-N -1 0 379.457 2.900 50 0 GFAARM Cc1c2c(cc(=O)n1Cc1cccnc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012406709 570653929 /nfs/dbraw/zinc/65/39/29/570653929.db2.gz CWHQKPQFKBQMLR-UHFFFAOYSA-N -1 0 389.440 2.842 50 0 GFAARM Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(C(=O)[O-])cc2)C3)cc1 ZINC000012447673 570667245 /nfs/dbraw/zinc/66/72/45/570667245.db2.gz FNZVOTXOZOUUHB-SFHVURJKSA-N -1 0 377.400 2.690 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1S(=O)(=O)N(C)C ZINC000006919683 570704568 /nfs/dbraw/zinc/70/45/68/570704568.db2.gz CEYGYZSKRDRGCX-UHFFFAOYSA-N -1 0 388.898 2.700 50 0 GFAARM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1 ZINC000000797245 570709510 /nfs/dbraw/zinc/70/95/10/570709510.db2.gz MDEBFGFCGFZBGZ-UHFFFAOYSA-N -1 0 386.223 2.957 50 0 GFAARM CCOC(=O)/C=C/c1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000058381687 570730226 /nfs/dbraw/zinc/73/02/26/570730226.db2.gz HBLWQLYYBFNKDT-JLHYYAGUSA-N -1 0 388.445 2.887 50 0 GFAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)o2)cc1 ZINC000065246163 570747216 /nfs/dbraw/zinc/74/72/16/570747216.db2.gz DNMVQNUQVACFLW-UHFFFAOYSA-N -1 0 377.378 2.616 50 0 GFAARM COC(=O)c1cn([C@H](CC(=O)[O-])c2ccc(Cl)cc2F)cc2c(=O)[nH]nc1-2 ZINC000524734477 570771492 /nfs/dbraw/zinc/77/14/92/570771492.db2.gz JNMJUQFVAWPQAT-CYBMUJFWSA-N -1 0 393.758 2.732 50 0 GFAARM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000007054776 570774899 /nfs/dbraw/zinc/77/48/99/570774899.db2.gz CXLVNAZQNSOUFE-UHFFFAOYSA-N -1 0 392.477 2.987 50 0 GFAARM O=C([O-])CN1C(=O)c2ccccc2/C(=C\c2cc(Cl)c3c(c2)OCCO3)C1=O ZINC000097997540 570775318 /nfs/dbraw/zinc/77/53/18/570775318.db2.gz DAWMRSJCENGCAV-VGOFMYFVSA-N -1 0 399.786 2.719 50 0 GFAARM Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)[O-])C2 ZINC000170044532 570792645 /nfs/dbraw/zinc/79/26/45/570792645.db2.gz XBPXMDYPJVIXSF-AZUAARDMSA-N -1 0 378.428 2.900 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000170091712 570805106 /nfs/dbraw/zinc/80/51/06/570805106.db2.gz XDURUSXDDGFTMN-OAHLLOKOSA-N -1 0 385.351 2.853 50 0 GFAARM CC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@H]1c1ccc(Cl)cc1 ZINC000101456084 570823716 /nfs/dbraw/zinc/82/37/16/570823716.db2.gz WEXUFDNZIFAWCQ-ZDUSSCGKSA-N -1 0 392.868 2.510 50 0 GFAARM COC(=O)c1sc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1C ZINC000012526095 570830817 /nfs/dbraw/zinc/83/08/17/570830817.db2.gz HYHHCJSMCPBDSK-UHFFFAOYSA-N -1 0 383.447 2.739 50 0 GFAARM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccccc2Br)c1 ZINC000065550796 570833387 /nfs/dbraw/zinc/83/33/87/570833387.db2.gz WTGIRUZVKPLDKV-UHFFFAOYSA-N -1 0 386.223 2.962 50 0 GFAARM COc1cccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)c1 ZINC000101802808 570835312 /nfs/dbraw/zinc/83/53/12/570835312.db2.gz VXUBTMQPBQAHPN-UHFFFAOYSA-N -1 0 375.432 2.938 50 0 GFAARM Cc1cccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)Cc2ccccc2)c1 ZINC000101802197 570835422 /nfs/dbraw/zinc/83/54/22/570835422.db2.gz VGFHRJMZWDBKSB-UHFFFAOYSA-N -1 0 387.443 2.810 50 0 GFAARM O=C(OCc1nc(Cl)ccc1Cl)c1cccc(-n2[n-]c(=O)ccc2=O)c1 ZINC000065575584 570836101 /nfs/dbraw/zinc/83/61/01/570836101.db2.gz KOVPYHGTQGWQGN-UHFFFAOYSA-N -1 0 392.198 2.585 50 0 GFAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1)O[C@H](C)C2 ZINC000012556965 570859135 /nfs/dbraw/zinc/85/91/35/570859135.db2.gz QLQHDKPDSDPLBD-GFCCVEGCSA-N -1 0 390.461 2.569 50 0 GFAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000012605827 570888809 /nfs/dbraw/zinc/88/88/09/570888809.db2.gz LFBSKWVIZFPLKF-UHFFFAOYSA-N -1 0 377.418 2.677 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000120932727 570890523 /nfs/dbraw/zinc/89/05/23/570890523.db2.gz JPAAYWNQQPKMPV-ZIAGYGMSSA-N -1 0 386.351 2.589 50 0 GFAARM COC(=O)c1ccc(NC(=O)CSc2nc(=O)c3sccc3[n-]2)cc1 ZINC000051317211 570908848 /nfs/dbraw/zinc/90/88/48/570908848.db2.gz BKQMIYOATPPSCV-UHFFFAOYSA-N -1 0 375.431 2.502 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1C(=O)NC1CCCCC1 ZINC000000645326 570930042 /nfs/dbraw/zinc/93/00/42/570930042.db2.gz AHPCVWWXBAGOLW-UHFFFAOYSA-N -1 0 389.477 2.954 50 0 GFAARM Cc1cc(OCC(=O)N[C@H](CC(C)C)C(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002096396 570941298 /nfs/dbraw/zinc/94/12/98/570941298.db2.gz AKXRNVFUVPUWII-CQSZACIVSA-N -1 0 375.421 2.713 50 0 GFAARM CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000002106091 570948438 /nfs/dbraw/zinc/94/84/38/570948438.db2.gz ISVVUANIJIHQHR-CCNLRRDASA-N -1 0 396.443 2.834 50 0 GFAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(=O)oc2c1 ZINC000002108298 570949793 /nfs/dbraw/zinc/94/97/93/570949793.db2.gz UUZCDECNMLERSA-HXUWFJFHSA-N -1 0 395.411 2.985 50 0 GFAARM COC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)cc1 ZINC000001321215 570958290 /nfs/dbraw/zinc/95/82/90/570958290.db2.gz VDLXHSCRQDUYQM-UHFFFAOYSA-N -1 0 378.384 2.692 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000106402319 570962293 /nfs/dbraw/zinc/96/22/93/570962293.db2.gz PXOSMUYMWYOVPI-GHMZBOCLSA-N -1 0 391.777 2.513 50 0 GFAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc2c1C ZINC000002152310 570973104 /nfs/dbraw/zinc/97/31/04/570973104.db2.gz CQNDWRCAXXGMFD-INIZCTEOSA-N -1 0 389.448 2.967 50 0 GFAARM COc1ccc(-c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c(F)c2)c(F)c1 ZINC000299745923 600152393 /nfs/dbraw/zinc/15/23/93/600152393.db2.gz UCHONCISJSVKOP-QGZVFWFLSA-N -1 0 377.343 2.566 50 0 GFAARM O=C([O-])Cn1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 ZINC000015013403 210143254 /nfs/dbraw/zinc/14/32/54/210143254.db2.gz RIPGACMBCBEFGC-RQZCQDPDSA-N -1 0 393.374 2.958 50 0 GFAARM CS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)c1 ZINC000013258977 210055465 /nfs/dbraw/zinc/05/54/65/210055465.db2.gz DVQLCTTWGQXACS-HNNXBMFYSA-N -1 0 381.837 2.689 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)c2ccccc2O1 ZINC000013436767 210060850 /nfs/dbraw/zinc/06/08/50/210060850.db2.gz IIOHTCSZJKKTEA-SFHVURJKSA-N -1 0 380.400 2.696 50 0 GFAARM O=C([O-])C[C@@H]1Sc2nnc([C@@H]3CCCO3)n2N=C1c1ccc(Cl)cc1 ZINC000013182937 210052824 /nfs/dbraw/zinc/05/28/24/210052824.db2.gz LDLNZPMXUNJJTA-RYUDHWBXSA-N -1 0 378.841 2.984 50 0 GFAARM O=C([O-])/C=C/c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 ZINC000012940784 210034166 /nfs/dbraw/zinc/03/41/66/210034166.db2.gz YCJZPXSKEUSTGA-MZEUMTGBSA-N -1 0 378.428 2.814 50 0 GFAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1nc(Cl)ccc1Cl ZINC000012869697 210021464 /nfs/dbraw/zinc/02/14/64/210021464.db2.gz DIVRFDOJLXLHSN-UHFFFAOYSA-N -1 0 383.187 2.510 50 0 GFAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)cs1 ZINC000024983653 531611231 /nfs/dbraw/zinc/61/12/31/531611231.db2.gz PXKIVKCSLQKCAE-UHFFFAOYSA-N -1 0 379.385 2.715 50 0 GFAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000006919604 209708007 /nfs/dbraw/zinc/70/80/07/209708007.db2.gz DMYQJUHZWSCPGN-UHFFFAOYSA-N -1 0 391.445 2.780 50 0 GFAARM Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(C(=O)[O-])cc1 ZINC000004994668 209557096 /nfs/dbraw/zinc/55/70/96/209557096.db2.gz CVVNLECKZRYEIZ-UHFFFAOYSA-N -1 0 383.433 2.708 50 0 GFAARM CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000004307551 209477269 /nfs/dbraw/zinc/47/72/69/209477269.db2.gz BYLFDDVAXJXOFY-UHFFFAOYSA-N -1 0 398.415 2.650 50 0 GFAARM COc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)c(OC)c1 ZINC000002890024 209395660 /nfs/dbraw/zinc/39/56/60/209395660.db2.gz DPKRIZLCZDJBBB-INIZCTEOSA-N -1 0 387.413 2.826 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(C)noc3C)cc2)no1 ZINC000002872853 209394065 /nfs/dbraw/zinc/39/40/65/209394065.db2.gz FTHPDDXXJKXICF-UHFFFAOYSA-N -1 0 376.394 2.641 50 0 GFAARM Cc1nn(Cc2cccc(Cl)c2)c(C)c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000002805059 209388670 /nfs/dbraw/zinc/38/86/70/209388670.db2.gz AAFZHXDCQHUJDW-UHFFFAOYSA-N -1 0 379.873 2.736 50 0 GFAARM CCCC[C@@H](NC(=O)COc1ccc2c(CCC)cc(=O)oc2c1)C(=O)[O-] ZINC000002147697 209348992 /nfs/dbraw/zinc/34/89/92/209348992.db2.gz AFYRLTWTNUGFLK-MRXNPFEDSA-N -1 0 375.421 2.884 50 0 GFAARM CCOC(=O)COc1cc(NC(=O)CSCC(=O)[O-])c(Cl)cc1Cl ZINC000001397924 209326609 /nfs/dbraw/zinc/32/66/09/209326609.db2.gz IABZKJPTTJZNSP-UHFFFAOYSA-N -1 0 396.248 2.692 50 0 GFAARM O=C([O-])CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000001016060 209288527 /nfs/dbraw/zinc/28/85/27/209288527.db2.gz YEYXWXSNROROJY-UHFFFAOYSA-N -1 0 384.251 2.725 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000841938 209272241 /nfs/dbraw/zinc/27/22/41/209272241.db2.gz JBDRPXUSKDZWCL-OAHLLOKOSA-N -1 0 379.434 2.507 50 0 GFAARM COc1ccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)cc1OC ZINC000100662796 209244505 /nfs/dbraw/zinc/24/45/05/209244505.db2.gz ISGPCMHPCCYEAX-UHFFFAOYSA-N -1 0 394.427 2.601 50 0 GFAARM COc1cc(OC)cc(C2=N/C(=C/c3ccc(OCC(=O)[O-])cc3)C(=O)O2)c1 ZINC000096635119 209242039 /nfs/dbraw/zinc/24/20/39/209242039.db2.gz FYRBLJMDOHAKBK-REZTVBANSA-N -1 0 383.356 2.512 50 0 GFAARM COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)N(C)c1c(F)cccc1F ZINC000096401840 209239562 /nfs/dbraw/zinc/23/95/62/209239562.db2.gz DFZHPTALDPVTPK-CLFYSBASSA-N -1 0 383.372 2.896 50 0 GFAARM O=C(CSC1=NC(=O)C(Cc2ccc(F)cc2)C([O-])=N1)c1cccc(O)c1 ZINC000033429053 209181644 /nfs/dbraw/zinc/18/16/44/209181644.db2.gz HLRDVCMCGDNTTG-UHFFFAOYSA-N -1 0 386.404 2.886 50 0 GFAARM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000334161134 209177723 /nfs/dbraw/zinc/17/77/23/209177723.db2.gz UOANWEXDZIZACO-MRXNPFEDSA-N -1 0 396.451 2.510 50 0 GFAARM O=C([O-])CN(c1ccccc1)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000011691656 211674050 /nfs/dbraw/zinc/67/40/50/211674050.db2.gz GTXZKBGYWQPLDC-UHFFFAOYSA-N -1 0 382.397 2.685 50 0 GFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000005329284 211566706 /nfs/dbraw/zinc/56/67/06/211566706.db2.gz UJNRNAKRWDIQKZ-UHFFFAOYSA-N -1 0 390.461 2.940 50 0 GFAARM Cc1nn(CC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c(C)c1Cl ZINC000237915843 211478071 /nfs/dbraw/zinc/47/80/71/211478071.db2.gz CSUJAGQXLJCRDC-UHFFFAOYSA-N -1 0 375.856 2.798 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000100033074 211381076 /nfs/dbraw/zinc/38/10/76/211381076.db2.gz DEABHCWMQZVLQR-RTBURBONSA-N -1 0 391.431 2.544 50 0 GFAARM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000236839977 211380643 /nfs/dbraw/zinc/38/06/43/211380643.db2.gz HEWQETAZCCGSHH-LLVKDONJSA-N -1 0 397.269 2.562 50 0 GFAARM CC(C)CN1CCn2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cc2C1=O ZINC000096102060 211301667 /nfs/dbraw/zinc/30/16/67/211301667.db2.gz XRUVYSDPDMKPSJ-UHFFFAOYSA-N -1 0 383.420 2.679 50 0 GFAARM O=C([O-])c1ccccc1-n1nc(-c2ccncc2)nc1CN1CCCCC1=O ZINC000095531192 211274791 /nfs/dbraw/zinc/27/47/91/211274791.db2.gz DRQCOYMDEZOSDK-UHFFFAOYSA-N -1 0 377.404 2.540 50 0 GFAARM CCOC(=O)Cn1nc(C)c2c1NC(=O)CS[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000095475632 211247677 /nfs/dbraw/zinc/24/76/77/211247677.db2.gz QTOVEMKJCPIZDA-MRXNPFEDSA-N -1 0 389.433 2.877 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cccc3c2C(=O)N(C2CC2)C3=O)cc1C ZINC000095466325 211245558 /nfs/dbraw/zinc/24/55/58/211245558.db2.gz BPZOLIYIHWWHSS-UHFFFAOYSA-N -1 0 386.429 2.563 50 0 GFAARM CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000095372188 211227939 /nfs/dbraw/zinc/22/79/39/211227939.db2.gz HUBQQHLGSNOCKL-KRWDZBQOSA-N -1 0 387.457 2.808 50 0 GFAARM COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000092020113 211212260 /nfs/dbraw/zinc/21/22/60/211212260.db2.gz IGRYUYIBHKYDFP-MRXNPFEDSA-N -1 0 381.436 2.753 50 0 GFAARM O=C([O-])C1(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CCCCC1 ZINC000095348426 211220419 /nfs/dbraw/zinc/22/04/19/211220419.db2.gz RNQNNYDTYBZLAC-UHFFFAOYSA-N -1 0 376.428 2.582 50 0 GFAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000091563203 211196514 /nfs/dbraw/zinc/19/65/14/211196514.db2.gz YZXQXVKXSBYDMG-UHFFFAOYSA-N -1 0 392.440 2.612 50 0 GFAARM COc1cc(F)c(S(=O)(=O)[N-]c2nnc(CC(C)C)s2)cc1OC ZINC000079020026 211153124 /nfs/dbraw/zinc/15/31/24/211153124.db2.gz FCBFMZBDSJJXBU-UHFFFAOYSA-N -1 0 375.447 2.694 50 0 GFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 ZINC000071285579 211043474 /nfs/dbraw/zinc/04/34/74/211043474.db2.gz XXBJIQYOJZPTHS-HUUCEWRRSA-N -1 0 377.404 2.829 50 0 GFAARM COc1ccccc1OCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641550 211038501 /nfs/dbraw/zinc/03/85/01/211038501.db2.gz UBNNRUADDGAWFA-UHFFFAOYSA-N -1 0 396.273 2.947 50 0 GFAARM Cc1[nH]c2c(cccc2C(=O)N2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)c1C ZINC000067769672 211020496 /nfs/dbraw/zinc/02/04/96/211020496.db2.gz PWGWTNRQOFNISF-AWEZNQCLSA-N -1 0 381.436 2.627 50 0 GFAARM O=C(/C=C/c1ccccc1Cl)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268537 210803116 /nfs/dbraw/zinc/80/31/16/210803116.db2.gz OVZLBNIXIFPNTP-VMPITWQZSA-N -1 0 379.821 2.630 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000020491698 210342085 /nfs/dbraw/zinc/34/20/85/210342085.db2.gz CJYMMLXUOBAYAC-UHFFFAOYSA-N -1 0 382.825 2.789 50 0 GFAARM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N(C)C2CCCCC2)c1OC ZINC000006497388 220938215 /nfs/dbraw/zinc/93/82/15/220938215.db2.gz PACJABBJSAVKIA-KTKRTIGZSA-N -1 0 383.466 2.755 50 0 GFAARM COC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101112300 533270604 /nfs/dbraw/zinc/27/06/04/533270604.db2.gz JIOWDABCXAKUTG-RDJZCZTQSA-N -1 0 397.818 2.556 50 0 GFAARM COc1cc([C@@H](C(=O)[O-])N2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000095375428 136178572 /nfs/dbraw/zinc/17/85/72/136178572.db2.gz HPEQVCXWTJBYHS-IBGZPJMESA-N -1 0 386.448 2.660 50 0 GFAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCCC[C@H]32)C(=O)N1c1ccccc1 ZINC000247964999 136192869 /nfs/dbraw/zinc/19/28/69/136192869.db2.gz YXXRVSYQDSBZML-AVRDEDQJSA-N -1 0 375.428 2.871 50 0 GFAARM COc1cccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3[n-]c2=S)c1 ZINC000002975999 136193561 /nfs/dbraw/zinc/19/35/61/136193561.db2.gz NXRCVLFEOSDCPM-UHFFFAOYSA-N -1 0 383.473 2.579 50 0 GFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C1 ZINC000269027540 525819344 /nfs/dbraw/zinc/81/93/44/525819344.db2.gz KXUPFQWKUYQDET-HXUWFJFHSA-N -1 0 387.457 2.597 50 0 GFAARM COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1C(=O)OC ZINC000003396883 551093266 /nfs/dbraw/zinc/09/32/66/551093266.db2.gz VXDPDZOLWRGVLX-UHFFFAOYSA-N -1 0 383.809 2.714 50 0 GFAARM CCCn1c(=O)cc([O-])nc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000009478196 551103175 /nfs/dbraw/zinc/10/31/75/551103175.db2.gz JVQCNADSIWAPAJ-UHFFFAOYSA-N -1 0 383.857 2.752 50 0 GFAARM O=S(=O)([N-]CC1(N2CCSCC2)CCCC1)c1c(F)cccc1F ZINC000042169417 551138683 /nfs/dbraw/zinc/13/86/83/551138683.db2.gz OCINCCYIVFBSMX-UHFFFAOYSA-N -1 0 376.494 2.605 50 0 GFAARM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@H]2CCCc3cccc1c32 ZINC000161965383 551601400 /nfs/dbraw/zinc/60/14/00/551601400.db2.gz RHPMRRLJDGHEIL-DGCLKSJQSA-N -1 0 378.475 2.773 50 0 GFAARM O=C([O-])C[C@H]1CN(C(=O)CCCCc2ccc(Br)cc2)CCO1 ZINC000238046849 553085547 /nfs/dbraw/zinc/08/55/47/553085547.db2.gz PLDSMIJSQJOJCW-HNNXBMFYSA-N -1 0 384.270 2.864 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)C[C@@H]1CCCO1 ZINC000238215555 553086787 /nfs/dbraw/zinc/08/67/87/553086787.db2.gz GAAUVGANZHICQS-SWLSCSKDSA-N -1 0 395.253 2.611 50 0 GFAARM CSc1nnc(CNC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000263377053 553187090 /nfs/dbraw/zinc/18/70/90/553187090.db2.gz OJIZNPCKCRVTHN-GFCCVEGCSA-N -1 0 380.495 2.535 50 0 GFAARM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)sc1Br ZINC000374450594 563372395 /nfs/dbraw/zinc/37/23/95/563372395.db2.gz GSDSKORJMHDGAS-SNVBAGLBSA-N -1 0 395.344 2.842 50 0 GFAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000299752931 563390655 /nfs/dbraw/zinc/39/06/55/563390655.db2.gz WAUGDAWTEPVNME-NEPJUHHUSA-N -1 0 381.215 2.863 50 0 GFAARM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000048382874 570250010 /nfs/dbraw/zinc/25/00/10/570250010.db2.gz LHBTUSJPJRQEOW-UHFFFAOYSA-N -1 0 394.424 2.939 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000015953809 570300752 /nfs/dbraw/zinc/30/07/52/570300752.db2.gz IBCZDZZYWPWXAW-VOJFVSQTSA-N -1 0 389.448 2.967 50 0 GFAARM CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C)cc2)CC1 ZINC000032946599 570312365 /nfs/dbraw/zinc/31/23/65/570312365.db2.gz UCWVEDMLQBDSHF-UHFFFAOYSA-N -1 0 381.432 2.614 50 0 GFAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc2oc1=O ZINC000016042716 570313582 /nfs/dbraw/zinc/31/35/82/570313582.db2.gz RTLPAGCOGXXQDI-XJKSGUPXSA-N -1 0 375.421 2.793 50 0 GFAARM CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)[O-])c1cccc2ccccc21 ZINC000002982576 570322425 /nfs/dbraw/zinc/32/24/25/570322425.db2.gz FJPPVKUUHDUHBS-UHFFFAOYSA-N -1 0 398.440 2.943 50 0 GFAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCCOC)c(=O)[n-]2)c1 ZINC000034765074 570333189 /nfs/dbraw/zinc/33/31/89/570333189.db2.gz PZZRHDYKQVFBMG-CQSZACIVSA-N -1 0 388.468 2.507 50 0 GFAARM C[C@@H]1CN(Cc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000237416527 570351139 /nfs/dbraw/zinc/35/11/39/570351139.db2.gz HGGONKLSTKVCMH-QINHECLXSA-N -1 0 382.460 2.852 50 0 GFAARM O=S(=O)([N-]c1ccc(S(=O)(=O)C(F)F)cc1)c1cc(F)ccc1F ZINC000008108316 570357118 /nfs/dbraw/zinc/35/71/18/570357118.db2.gz MUFDIZPNRFJHPV-UHFFFAOYSA-N -1 0 383.344 2.762 50 0 GFAARM O=C([O-])C1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000118959635 570377052 /nfs/dbraw/zinc/37/70/52/570377052.db2.gz RZYAEOYRYADFMP-GFCCVEGCSA-N -1 0 375.812 2.961 50 0 GFAARM Cc1cc(C)n(Cc2cccc(C(=O)N(CCC(=O)[O-])C3CCOCC3)c2)n1 ZINC000237665687 570389007 /nfs/dbraw/zinc/38/90/07/570389007.db2.gz IMUTUSGWZJRLCR-UHFFFAOYSA-N -1 0 385.464 2.644 50 0 GFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2)n1 ZINC000004877431 570414834 /nfs/dbraw/zinc/41/48/34/570414834.db2.gz FJKNONBWOSUGIC-RMKNXTFCSA-N -1 0 384.417 2.831 50 0 GFAARM O=C([O-])Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000025686589 570418284 /nfs/dbraw/zinc/41/82/84/570418284.db2.gz LNFBETAWVZNJKF-OAHLLOKOSA-N -1 0 376.771 2.850 50 0 GFAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000005145079 570426611 /nfs/dbraw/zinc/42/66/11/570426611.db2.gz DUEPMBFBSUJFEM-CYBMUJFWSA-N -1 0 390.417 2.640 50 0 GFAARM Cc1c2c(cc(=O)n1Cc1ccc3c(c1)OCO3)[n-]n(-c1ccccc1)c2=O ZINC000005274875 570432977 /nfs/dbraw/zinc/43/29/77/570432977.db2.gz ANUFFQUQIIVNIW-UHFFFAOYSA-N -1 0 375.384 2.566 50 0 GFAARM C[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccc2c(c1)OCCCO2 ZINC000222993452 570435828 /nfs/dbraw/zinc/43/58/28/570435828.db2.gz JURIKXFEZIDMST-AWEZNQCLSA-N -1 0 379.416 2.818 50 0 GFAARM O=C([O-])c1ccccc1C=NNC(=O)CCCCCNC(=O)c1ccccc1 ZINC000252452482 570448851 /nfs/dbraw/zinc/44/88/51/570448851.db2.gz LEQZOQKPRTUZSY-UHFFFAOYSA-N -1 0 381.432 2.825 50 0 GFAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000005961442 570463292 /nfs/dbraw/zinc/46/32/92/570463292.db2.gz BJJSPDHIKYCUPO-QWHCGFSZSA-N -1 0 381.384 2.817 50 0 GFAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000006269259 570474784 /nfs/dbraw/zinc/47/47/84/570474784.db2.gz ISXGJYOMWHRFND-UHFFFAOYSA-N -1 0 376.478 2.789 50 0 GFAARM O=C1CSC(=O)N1Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000060353915 570677615 /nfs/dbraw/zinc/67/76/15/570677615.db2.gz FERFYKQPUBUAPB-UHFFFAOYSA-N -1 0 398.412 2.961 50 0 GFAARM CC(C)n1c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2nc1C(F)(F)F ZINC000236701214 570678519 /nfs/dbraw/zinc/67/85/19/570678519.db2.gz RFGYEBUYRGFQFH-CYBMUJFWSA-N -1 0 385.342 2.562 50 0 GFAARM CCCCOc1c(Cl)cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OCC ZINC000262926770 570700287 /nfs/dbraw/zinc/70/02/87/570700287.db2.gz FTGLUCJBKHADLC-OAHLLOKOSA-N -1 0 385.844 2.843 50 0 GFAARM COc1cc(-c2cc(=O)c3cc(OCC(=O)[O-])ccc3o2)cc(OC)c1OC ZINC000000937405 570727881 /nfs/dbraw/zinc/72/78/81/570727881.db2.gz RXMFVYPSRSTHIR-UHFFFAOYSA-N -1 0 386.356 2.949 50 0 GFAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(-c2nnc(C3CC3)o2)o1 ZINC000065246331 570747158 /nfs/dbraw/zinc/74/71/58/570747158.db2.gz SGLJJYWZONGTNU-UHFFFAOYSA-N -1 0 389.389 2.779 50 0 GFAARM O=C(NCc1ccccc1F)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249876 570748444 /nfs/dbraw/zinc/74/84/44/570748444.db2.gz MKODTLWYZIAURQ-UHFFFAOYSA-N -1 0 392.390 2.548 50 0 GFAARM COc1cc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc(Cl)c1OC ZINC000018023010 570794915 /nfs/dbraw/zinc/79/49/15/570794915.db2.gz CDBHDQBCCQRJQV-UHFFFAOYSA-N -1 0 395.843 2.503 50 0 GFAARM CC(C)NC(=O)c1cc(C(=O)c2cc(Br)ccc2[O-])coc1=N ZINC000005863251 570798476 /nfs/dbraw/zinc/79/84/76/570798476.db2.gz NEVKVCDJPWFTMM-UHFFFAOYSA-N -1 0 379.210 2.596 50 0 GFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000101416305 570822269 /nfs/dbraw/zinc/82/22/69/570822269.db2.gz QQEGIWFIPAGCEK-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM COc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1OCc1csc(C)n1 ZINC000299743046 570823652 /nfs/dbraw/zinc/82/36/52/570823652.db2.gz JPGRDCLHOJOSPD-AWEZNQCLSA-N -1 0 376.434 2.728 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000004689759 570834939 /nfs/dbraw/zinc/83/49/39/570834939.db2.gz UVQIPZNXTNPIJW-MRXNPFEDSA-N -1 0 396.852 2.793 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3ccccc3oc2=O)cc1OC ZINC000004581002 570911512 /nfs/dbraw/zinc/91/15/12/570911512.db2.gz MRZOHXVESLCTCR-OAHLLOKOSA-N -1 0 397.383 2.756 50 0 GFAARM CCOc1ccc(C(=O)COC(=O)c2ccc(NC(=O)C=CC(=O)[O-])cc2)cc1 ZINC000017081240 570926881 /nfs/dbraw/zinc/92/68/81/570926881.db2.gz UNFLFPPNPDNPAE-VAWYXSNFSA-N -1 0 397.383 2.704 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000170638299 570939527 /nfs/dbraw/zinc/93/95/27/570939527.db2.gz SNQODTZDJFBIFN-OLZOCXBDSA-N -1 0 386.351 2.589 50 0 GFAARM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1OC ZINC000016625528 570985794 /nfs/dbraw/zinc/98/57/94/570985794.db2.gz JSXUPBCNGMFGPS-UHFFFAOYSA-N -1 0 383.857 2.684 50 0 GFAARM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1OC ZINC000016648377 570993286 /nfs/dbraw/zinc/99/32/86/570993286.db2.gz XAUAXUFJOLHMEH-UHFFFAOYSA-N -1 0 378.450 2.644 50 0 GFAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1OC ZINC000003434768 600168822 /nfs/dbraw/zinc/16/88/22/600168822.db2.gz QZMQAMWXOTYECC-LXKVQUBZSA-N -1 0 391.445 2.841 50 0 GFAARM NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1c([O-])cc(F)cc1F ZINC000066048038 654893584 /nfs/dbraw/zinc/89/35/84/654893584.db2.gz RIVILAYIVUKFPL-UHFFFAOYSA-N -1 0 399.191 2.561 50 0 GFAARM CC[C@@H](NC(=O)c1ccc(-c2cc(C(=O)[O-])ccn2)cc1)c1ncnn1CC ZINC000426412994 529666684 /nfs/dbraw/zinc/66/66/84/529666684.db2.gz PSSKNHFDGQBRCU-MRXNPFEDSA-N -1 0 379.420 2.939 50 0 GFAARM COC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000017952642 210212195 /nfs/dbraw/zinc/21/21/95/210212195.db2.gz OAQUZBGICZJULB-DOTOQJQBSA-N -1 0 397.818 2.556 50 0 GFAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1ccccc1Cl)N1CCOCC1 ZINC000016579394 210190184 /nfs/dbraw/zinc/19/01/84/210190184.db2.gz BDYKATRHCQNJJN-UHFFFAOYSA-N -1 0 394.880 2.754 50 0 GFAARM COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc([N-]S(C)(=O)=O)nn32)cc1 ZINC000013121977 210051033 /nfs/dbraw/zinc/05/10/33/210051033.db2.gz OHVDRDXOXGFHNM-SJORKVTESA-N -1 0 399.476 2.805 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCOc1ccccc1F ZINC000013235148 210054925 /nfs/dbraw/zinc/05/49/25/210054925.db2.gz UXPBYEPGTNJHSI-KRWDZBQOSA-N -1 0 385.395 2.681 50 0 GFAARM C[C@H]1CCc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3CCc2ccccc2)C1 ZINC000006759909 209681045 /nfs/dbraw/zinc/68/10/45/209681045.db2.gz VOXDTHWZGDHJAA-ZDUSSCGKSA-N -1 0 398.484 2.677 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1Cl ZINC000004852107 209533961 /nfs/dbraw/zinc/53/39/61/209533961.db2.gz OJUPUFGIEMIFIK-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM Nc1c2cc(C(=O)[O-])c(=O)[nH]c2sc1C(=O)c1ccc(Br)cc1 ZINC000004597379 209501552 /nfs/dbraw/zinc/50/15/52/209501552.db2.gz SOICVZGLWBXDDA-UHFFFAOYSA-N -1 0 393.218 2.864 50 0 GFAARM CCOc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)[O-])cc1 ZINC000003319040 209423555 /nfs/dbraw/zinc/42/35/55/209423555.db2.gz LFOWPNYNQJVOGO-GOSISDBHSA-N -1 0 375.446 2.848 50 0 GFAARM Cc1c(C)c2ccc(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2oc1=O ZINC000002140485 209347568 /nfs/dbraw/zinc/34/75/68/209347568.db2.gz URVDBVMHTCINRM-IBGZPJMESA-N -1 0 381.384 2.731 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@@H]2CCN3CCCc4cccc2c43)cc1 ZINC000001741910 209337036 /nfs/dbraw/zinc/33/70/36/209337036.db2.gz DBFBSNOYZFRDFV-GOSISDBHSA-N -1 0 385.489 2.881 50 0 GFAARM CCn1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000001460411 209329086 /nfs/dbraw/zinc/32/90/86/209329086.db2.gz BGZONIBVLOVGMX-GJZGRUSLSA-N -1 0 388.468 2.571 50 0 GFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1 ZINC000000892611 209278133 /nfs/dbraw/zinc/27/81/33/209278133.db2.gz BDLYIVHHINLIET-UHFFFAOYSA-N -1 0 388.474 2.829 50 0 GFAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(I)cc1)C2=O ZINC000000778004 209264218 /nfs/dbraw/zinc/26/42/18/209264218.db2.gz UGFIHUWBELUFCP-UHFFFAOYSA-N -1 0 393.136 2.790 50 0 GFAARM CCCC[C@H]1Oc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2NC1=O ZINC000257173484 209223824 /nfs/dbraw/zinc/22/38/24/209223824.db2.gz OQVXEMMWGSCEGR-CYBMUJFWSA-N -1 0 382.467 2.537 50 0 GFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(OC)c(OC)c1)c2=O ZINC000016959921 209183109 /nfs/dbraw/zinc/18/31/09/209183109.db2.gz OZDFBCGEHRDNKO-UHFFFAOYSA-N -1 0 386.429 2.911 50 0 GFAARM C[C@H]1CN(Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000194926164 212076095 /nfs/dbraw/zinc/07/60/95/212076095.db2.gz SBLKRDVGJWVIPQ-FIKGOQFSSA-N -1 0 396.487 2.722 50 0 GFAARM CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000022855122 211782371 /nfs/dbraw/zinc/78/23/71/211782371.db2.gz RLUGVPDNYMEUPB-KRWDZBQOSA-N -1 0 399.520 2.621 50 0 GFAARM CCc1nc2sc([C@H](c3cccc(C)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000022855118 211782904 /nfs/dbraw/zinc/78/29/04/211782904.db2.gz ACHWUBPVDOKNAZ-KRWDZBQOSA-N -1 0 399.520 2.621 50 0 GFAARM O=C([O-])c1cnn(-c2ccc(C(=O)NCC[C@H]3CCCO3)cc2)c1C(F)(F)F ZINC000237944825 211477921 /nfs/dbraw/zinc/47/79/21/211477921.db2.gz QXTUUXRLCJMILC-CYBMUJFWSA-N -1 0 397.353 2.888 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccnc(Cl)c2)cc1N(C)C ZINC000098053219 211378908 /nfs/dbraw/zinc/37/89/08/211378908.db2.gz BLSGSQZGBRIVQM-ALCCZGGFSA-N -1 0 379.869 2.628 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1 ZINC000100033243 211381528 /nfs/dbraw/zinc/38/15/28/211381528.db2.gz BUARZOXKKCIUSY-MOPGFXCFSA-N -1 0 391.431 2.544 50 0 GFAARM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000236836967 211379756 /nfs/dbraw/zinc/37/97/56/211379756.db2.gz HEWQETAZCCGSHH-NSHDSACASA-N -1 0 397.269 2.562 50 0 GFAARM Cc1nnc(-c2cc(S(=O)(=O)[N-]c3cccc(Br)c3)c[nH]2)o1 ZINC000096321589 211334600 /nfs/dbraw/zinc/33/46/00/211334600.db2.gz DMEUQJKKKVWJOR-UHFFFAOYSA-N -1 0 383.227 2.936 50 0 GFAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000095992009 211292830 /nfs/dbraw/zinc/29/28/30/211292830.db2.gz QOZMTADFYMSFFZ-LLVKDONJSA-N -1 0 398.253 2.937 50 0 GFAARM CN(C)c1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c2ccccc2n1 ZINC000095468792 211246114 /nfs/dbraw/zinc/24/61/14/211246114.db2.gz IQRGVVSBQBWEMF-UHFFFAOYSA-N -1 0 393.472 2.871 50 0 GFAARM Cc1ocnc1C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000095463934 211244704 /nfs/dbraw/zinc/24/47/04/211244704.db2.gz UIPSCRCWWFOBIN-ZDUSSCGKSA-N -1 0 392.209 2.653 50 0 GFAARM Cc1ccccc1[C@@H]1CN(C(=O)c2cc(-c3ccccn3)n[nH]2)C[C@H]1C(=O)[O-] ZINC000091746833 211205689 /nfs/dbraw/zinc/20/56/89/211205689.db2.gz KWBMFPVCSCQVAP-JKSUJKDBSA-N -1 0 376.416 2.721 50 0 GFAARM COCCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc([O-])c(Cl)c3)CC[C@H]21 ZINC000077458247 211135179 /nfs/dbraw/zinc/13/51/79/211135179.db2.gz FICMEHXICRODRP-GOEBONIOSA-N -1 0 380.872 2.535 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(C(=O)NC2CCCC2)c(Cl)c1 ZINC000072400885 211111928 /nfs/dbraw/zinc/11/19/28/211111928.db2.gz DYBLJKMJXACDKL-UHFFFAOYSA-N -1 0 388.811 2.753 50 0 GFAARM Cc1ccsc1-c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000071751836 211056805 /nfs/dbraw/zinc/05/68/05/211056805.db2.gz NSDRWBURZQRKMR-CQSZACIVSA-N -1 0 381.475 2.879 50 0 GFAARM Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1nccnc1C(=O)[O-] ZINC000071288794 211044449 /nfs/dbraw/zinc/04/44/49/211044449.db2.gz SXEHWIOIUYFLQB-UHFFFAOYSA-N -1 0 385.811 2.942 50 0 GFAARM COCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000071287856 211044251 /nfs/dbraw/zinc/04/42/51/211044251.db2.gz NHXCOFMYGJPUSO-UHFFFAOYSA-N -1 0 376.796 2.804 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)ccc1F ZINC000042792451 210804209 /nfs/dbraw/zinc/80/42/09/210804209.db2.gz DWGSJPDRYCHVLD-UHFFFAOYSA-N -1 0 394.302 2.661 50 0 GFAARM COc1ccc(OC)c(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)c1 ZINC000019880941 210305488 /nfs/dbraw/zinc/30/54/88/210305488.db2.gz FNDNZUCZCNTWLQ-INIZCTEOSA-N -1 0 387.413 2.826 50 0 GFAARM Cc1cccc([C@@H](C)Nc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)n1 ZINC000096141936 136184412 /nfs/dbraw/zinc/18/44/12/136184412.db2.gz NIOHMJIYRCCZRR-CQSZACIVSA-N -1 0 385.468 2.552 50 0 GFAARM COc1cc(N2CC[C@@H](c3ccc(F)cc3)[C@H]([N-]C(=O)C(F)(F)F)C2)ncn1 ZINC000129221386 136192699 /nfs/dbraw/zinc/19/26/99/136192699.db2.gz MEHPVTAOIRMZBY-UONOGXRCSA-N -1 0 398.360 2.665 50 0 GFAARM Cc1ccc2c(CC(=O)N3CCC[C@H](c4ccnn4CC(=O)[O-])C3)coc2c1 ZINC000426380262 534376702 /nfs/dbraw/zinc/37/67/02/534376702.db2.gz AJJSJPFSMVIQQS-HNNXBMFYSA-N -1 0 381.432 2.971 50 0 GFAARM CN1C(=O)C[C@@H](C(=O)NC2CCC(C(=O)[O-])CC2)[C@H]1c1cccc(Cl)c1 ZINC000299746117 523698281 /nfs/dbraw/zinc/69/82/81/523698281.db2.gz VJVVBLXLRGWOMZ-LJRFZVOVSA-N -1 0 378.856 2.619 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1CCOc2ccccc21 ZINC000238209992 527646939 /nfs/dbraw/zinc/64/69/39/527646939.db2.gz QSPPYEOQIHMNSL-FUHWJXTLSA-N -1 0 382.391 2.985 50 0 GFAARM COCCn1c(=O)c2ccc(C(=O)NCc3cccs3)cc2[n-]c1=S ZINC000003043549 551092068 /nfs/dbraw/zinc/09/20/68/551092068.db2.gz KINDXIQXJUBOMQ-UHFFFAOYSA-N -1 0 375.475 2.697 50 0 GFAARM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)s1 ZINC000005075430 551096164 /nfs/dbraw/zinc/09/61/64/551096164.db2.gz SFKXAXSSNGSZOE-UHFFFAOYSA-N -1 0 392.911 2.742 50 0 GFAARM Nn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccccc1Cl ZINC000005173226 551096672 /nfs/dbraw/zinc/09/66/72/551096672.db2.gz XPBXEGDIRXJORJ-UHFFFAOYSA-N -1 0 390.881 2.903 50 0 GFAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000011691682 551107231 /nfs/dbraw/zinc/10/72/31/551107231.db2.gz FYBMBRPRDFVRDQ-CYBMUJFWSA-N -1 0 384.251 2.840 50 0 GFAARM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000028936889 551125141 /nfs/dbraw/zinc/12/51/41/551125141.db2.gz TYYBHDKENXYYRY-UHFFFAOYSA-N -1 0 384.248 2.985 50 0 GFAARM O=S(=O)([N-][C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1 ZINC000030691750 551128425 /nfs/dbraw/zinc/12/84/25/551128425.db2.gz PSXOKXJMVRSARX-SCSAIBSYSA-N -1 0 391.742 2.782 50 0 investigational GFAARM Cc1nn(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)c(C)c1Br ZINC000237660754 553080712 /nfs/dbraw/zinc/08/07/12/553080712.db2.gz QFKUYOPWEJCWBD-CYBMUJFWSA-N -1 0 392.253 2.798 50 0 GFAARM O=C([O-])C1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000238020461 553084966 /nfs/dbraw/zinc/08/49/66/553084966.db2.gz ZARAKUHGUYXDJI-UHFFFAOYSA-N -1 0 396.281 2.821 50 0 GFAARM O=C([O-])C[C@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CCO1 ZINC000238053509 553085701 /nfs/dbraw/zinc/08/57/01/553085701.db2.gz IRHAQXVWCUPIMV-LBPRGKRZSA-N -1 0 380.853 2.708 50 0 GFAARM CCCCn1c(=O)c(C2=NN[C@@H](c3ccc(O)c(OC)c3)C2)c([O-])[nH]c1=S ZINC000015834771 570271343 /nfs/dbraw/zinc/27/13/43/570271343.db2.gz GQUWSKJFDYYWPB-LLVKDONJSA-N -1 0 390.465 2.564 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)[O-] ZINC000016042734 570313444 /nfs/dbraw/zinc/31/34/44/570313444.db2.gz GQEDXGPXHWISOL-BBATYDOGSA-N -1 0 375.421 2.713 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1nc(-c2ccco2)no1 ZINC000218295853 570330516 /nfs/dbraw/zinc/33/05/16/570330516.db2.gz OWWSANSNNQTDAN-HNNXBMFYSA-N -1 0 394.387 2.556 50 0 GFAARM CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000004025832 570354984 /nfs/dbraw/zinc/35/49/84/570354984.db2.gz QUYWHDBFNWGGHF-OAQYLSRUSA-N -1 0 395.411 2.985 50 0 GFAARM O=C([O-])c1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n(-c2ccccc2)n1 ZINC000237981271 570417845 /nfs/dbraw/zinc/41/78/45/570417845.db2.gz LUBGLDCZGHJEHK-IBGZPJMESA-N -1 0 395.390 2.923 50 0 GFAARM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1OC ZINC000004954402 570419923 /nfs/dbraw/zinc/41/99/23/570419923.db2.gz FNNFAEUEMHYZNE-CQSZACIVSA-N -1 0 389.404 2.667 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1csc([C@H]2CCCO2)n1 ZINC000119114422 570423430 /nfs/dbraw/zinc/42/34/30/570423430.db2.gz PNLBPWGGCTWDDU-CYBMUJFWSA-N -1 0 388.417 2.533 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000011865658 570440909 /nfs/dbraw/zinc/44/09/09/570440909.db2.gz UVVGZQXJIPLQFR-DYZYQPBXSA-N -1 0 375.421 2.576 50 0 GFAARM Cc1c(O[C@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000011866835 570441737 /nfs/dbraw/zinc/44/17/37/570441737.db2.gz FNADEWROTREHBE-DYVFJYSZSA-N -1 0 399.443 2.823 50 0 GFAARM C[C@H](C(=O)NC1CCCC1)N1CCc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2C1 ZINC000223154660 570447315 /nfs/dbraw/zinc/44/73/15/570447315.db2.gz NEKFNYWSUDMKSY-CYBMUJFWSA-N -1 0 382.464 2.580 50 0 GFAARM CNc1nc(=NN=Cc2cccc([N+](=O)[O-])c2[O-])nc(Nc2ccccc2)[nH]1 ZINC000252626268 570455035 /nfs/dbraw/zinc/45/50/35/570455035.db2.gz QZNCEQICRUJIQE-UHFFFAOYSA-N -1 0 380.368 2.717 50 0 GFAARM NC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000029323465 570472236 /nfs/dbraw/zinc/47/22/36/570472236.db2.gz FCOJPUUUZCLTMF-UHFFFAOYSA-N -1 0 375.328 2.877 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@H]2c2cccnc2)cc1 ZINC000006485697 570481410 /nfs/dbraw/zinc/48/14/10/570481410.db2.gz JEILHUBKOPMLOV-LJQANCHMSA-N -1 0 394.456 2.850 50 0 GFAARM COc1ccc(-c2noc(CCC(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])n2)cc1 ZINC000268950934 570491042 /nfs/dbraw/zinc/49/10/42/570491042.db2.gz TVNGXMRPJPMBQR-UAGQMJEPSA-N -1 0 399.447 2.922 50 0 GFAARM COc1cccc(C(=O)N[C@]2(C(F)(F)F)[N-]c3nc4ccccc4n3C2=O)c1 ZINC000005209621 570506906 /nfs/dbraw/zinc/50/69/06/570506906.db2.gz QNMIRPBUQTXKBE-KRWDZBQOSA-N -1 0 390.321 2.799 50 0 GFAARM Cc1cc(NC(=O)CSc2ncc(C(=O)[O-])n2-c2ccc(F)cc2)no1 ZINC000006651736 570518498 /nfs/dbraw/zinc/51/84/98/570518498.db2.gz UASABSSYOBDHQN-UHFFFAOYSA-N -1 0 376.369 2.737 50 0 GFAARM Cc1cc([O-])c(C2=Nc3c(C(N)=O)cnn3[C@H](c3ccc(Cl)cc3)C2)c(=O)o1 ZINC000006662811 570526278 /nfs/dbraw/zinc/52/62/78/570526278.db2.gz DEQRKELTFYPHKR-AWEZNQCLSA-N -1 0 398.806 2.717 50 0 GFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000036096218 570537163 /nfs/dbraw/zinc/53/71/63/570537163.db2.gz DZWJOYBTSGIRLO-UHFFFAOYSA-N -1 0 386.433 2.623 50 0 GFAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2nncn2Cc2ccccc2)c1 ZINC000225476325 570578136 /nfs/dbraw/zinc/57/81/36/570578136.db2.gz AGCPECIFTDZBKY-UHFFFAOYSA-N -1 0 390.852 2.983 50 0 GFAARM Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(c3ccccc3)CC2)c1C(=O)[O-] ZINC000036360301 570642263 /nfs/dbraw/zinc/64/22/63/570642263.db2.gz JJWYJNZMOAMZHJ-HXUWFJFHSA-N -1 0 393.443 2.824 50 0 GFAARM C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)C1=O ZINC000013428010 570642760 /nfs/dbraw/zinc/64/27/60/570642760.db2.gz DCHUISHEHHPLIQ-GDBMZVCRSA-N -1 0 382.416 2.523 50 0 GFAARM CCC(CC)(CNC(=O)[C@H](CCSC)NC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000241719802 570687543 /nfs/dbraw/zinc/68/75/43/570687543.db2.gz QPSXVJAPMBQQQW-INIZCTEOSA-N -1 0 394.537 2.854 50 0 GFAARM O=C([O-])COc1ccc(Cl)cc1CN1CCOc2ccc(CO)cc2C1 ZINC000244723593 570695692 /nfs/dbraw/zinc/69/56/92/570695692.db2.gz MEFDUYAXWHZOGI-UHFFFAOYSA-N -1 0 377.824 2.690 50 0 GFAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)NCc1ccccc1Cl ZINC000006918579 570704069 /nfs/dbraw/zinc/70/40/69/570704069.db2.gz CZLAADMBDAMJMD-UHFFFAOYSA-N -1 0 395.893 2.860 50 0 GFAARM CC(C)CN1CCn2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc2C1=O ZINC000065254819 570752489 /nfs/dbraw/zinc/75/24/89/570752489.db2.gz UUDFHJAKFCEFCY-UHFFFAOYSA-N -1 0 383.420 2.679 50 0 GFAARM CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000007071119 570781374 /nfs/dbraw/zinc/78/13/74/570781374.db2.gz KIAONJSVEQQINV-GYBQTFJISA-N -1 0 393.417 2.528 50 0 GFAARM COC(=O)c1c2c(sc1[N-][C@@](OC)(C(=O)OC)C(F)(F)F)CCCC2 ZINC000004653833 570806129 /nfs/dbraw/zinc/80/61/29/570806129.db2.gz OORMECJSZFSIKV-CQSZACIVSA-N -1 0 381.372 2.903 50 0 GFAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1 ZINC000101418291 570822707 /nfs/dbraw/zinc/82/27/07/570822707.db2.gz HSAPJPYSNJFLGZ-OALUTQOASA-N -1 0 394.431 2.760 50 0 GFAARM CC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000101764465 570833318 /nfs/dbraw/zinc/83/33/18/570833318.db2.gz POUZVIFGFATEQF-OAHLLOKOSA-N -1 0 386.477 2.969 50 0 GFAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000373031811 570835973 /nfs/dbraw/zinc/83/59/73/570835973.db2.gz YNVHVWJXJCWVCM-SKDRFNHKSA-N -1 0 391.777 2.656 50 0 GFAARM C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000170592127 570851395 /nfs/dbraw/zinc/85/13/95/570851395.db2.gz JPXTYANJFCGXMN-ZANVPECISA-N -1 0 398.843 2.991 50 0 GFAARM Cc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)o1 ZINC000104577632 570901018 /nfs/dbraw/zinc/90/10/18/570901018.db2.gz WNWLFAHYKYDPSC-UHIISALHSA-N -1 0 390.408 2.918 50 0 GFAARM COc1cccc(C(=O)Nc2cc(=O)nc3[n-]c(CCc4ccccc4)nn32)c1 ZINC000016976305 570936685 /nfs/dbraw/zinc/93/66/85/570936685.db2.gz DYIDQRBAMOZMHA-UHFFFAOYSA-N -1 0 389.415 2.876 50 0 GFAARM Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000237833895 570944418 /nfs/dbraw/zinc/94/44/18/570944418.db2.gz BBZDPSBRHWEKAR-UHFFFAOYSA-N -1 0 388.489 2.590 50 0 GFAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000237962773 570945368 /nfs/dbraw/zinc/94/53/68/570945368.db2.gz BTDFASSEYOFPND-BBRMVZONSA-N -1 0 378.856 2.796 50 0 GFAARM COc1cc(C)cc2oc(=O)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(C)c12 ZINC000002124610 570957986 /nfs/dbraw/zinc/95/79/86/570957986.db2.gz JFMINVBDFYTFLG-FQEVSTJZSA-N -1 0 395.411 2.903 50 0 GFAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1 ZINC000001322462 570958259 /nfs/dbraw/zinc/95/82/59/570958259.db2.gz SBTSZKKXRYDOEG-UHFFFAOYSA-N -1 0 378.384 2.692 50 0 GFAARM CC[C@@]1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CCC(=O)NC1=O ZINC000057121538 654801180 /nfs/dbraw/zinc/80/11/80/654801180.db2.gz BJYOURSLMWEANE-KRWDZBQOSA-N -1 0 378.475 2.633 50 0 GFAARM CO[C@@H](CS(=O)(=O)[N-]c1nc(-c2cccnc2Cl)ns1)C(C)C ZINC000888094361 663178150 /nfs/dbraw/zinc/17/81/50/663178150.db2.gz LNJQMCVWRBEBSI-JTQLQIEISA-N -1 0 376.891 2.666 50 0 GFAARM Cc1cc(C(=O)Nn2c(=O)c3c(C)c(C(=O)[O-])sc3[nH]c2=S)cs1 ZINC000017077978 210202313 /nfs/dbraw/zinc/20/23/13/210202313.db2.gz XUOSSXWPBOLUSM-UHFFFAOYSA-N -1 0 381.460 2.881 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCCCC3)cs2)cc1 ZINC000017051038 210201741 /nfs/dbraw/zinc/20/17/41/210201741.db2.gz HNKUODYFEGQRQQ-UHFFFAOYSA-N -1 0 379.507 2.807 50 0 GFAARM Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2C(=O)[O-])cc1 ZINC000015109658 210153773 /nfs/dbraw/zinc/15/37/73/210153773.db2.gz AGRGJLVUNABHNY-UHFFFAOYSA-N -1 0 377.418 2.506 50 0 GFAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])c(C)c1 ZINC000013317498 210057493 /nfs/dbraw/zinc/05/74/93/210057493.db2.gz CQFGSAMFKBGRCY-UHFFFAOYSA-N -1 0 390.461 2.639 50 0 GFAARM Cc1ccc(OCCNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000013234883 210055165 /nfs/dbraw/zinc/05/51/65/210055165.db2.gz UEQQJVMAPYLFSO-IBGZPJMESA-N -1 0 381.432 2.850 50 0 GFAARM CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000013175123 210054304 /nfs/dbraw/zinc/05/43/04/210054304.db2.gz HWZKPDOFAAATAH-HNNXBMFYSA-N -1 0 381.837 2.689 50 0 GFAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000012867270 210021491 /nfs/dbraw/zinc/02/14/91/210021491.db2.gz LBGLFTNKDQXOER-OAHLLOKOSA-N -1 0 399.472 2.815 50 0 GFAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000012604582 209986537 /nfs/dbraw/zinc/98/65/37/209986537.db2.gz KKOAXGLJAOOTKK-UHFFFAOYSA-N -1 0 377.418 2.677 50 0 GFAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccccn3)s2)on1 ZINC000020994884 531582158 /nfs/dbraw/zinc/58/21/58/531582158.db2.gz LBIKZTXDBPCOEC-UHFFFAOYSA-N -1 0 379.419 2.776 50 0 GFAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccn(Cc2cccc3ccccc32)n1 ZINC000002804589 209387953 /nfs/dbraw/zinc/38/79/53/209387953.db2.gz OQNGHMLFIVEDEC-UHFFFAOYSA-N -1 0 381.461 2.927 50 0 GFAARM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002564502 209369207 /nfs/dbraw/zinc/36/92/07/209369207.db2.gz XINBRUNUJFZFGH-RBUKOAKNSA-N -1 0 398.459 2.750 50 0 GFAARM CCC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000002706980 209378686 /nfs/dbraw/zinc/37/86/86/209378686.db2.gz ZGGJPTVJWJDKKR-NSHDSACASA-N -1 0 398.699 2.894 50 0 GFAARM CCOC(=O)N1CCC(n2c(=O)c3cc(OC)c(OC)cc3[n-]c2=S)CC1 ZINC000002975698 209327370 /nfs/dbraw/zinc/32/73/70/209327370.db2.gz XOYUYUOBRWHYEZ-UHFFFAOYSA-N -1 0 393.465 2.870 50 0 GFAARM CC(C)CN1C(=O)c2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000001170812 209310395 /nfs/dbraw/zinc/31/03/95/209310395.db2.gz LRQSSTOXSUQTSB-UHFFFAOYSA-N -1 0 380.400 2.567 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000001003692 209289015 /nfs/dbraw/zinc/28/90/15/209289015.db2.gz YZJACVYBJUPTJH-UHFFFAOYSA-N -1 0 382.441 2.846 50 0 GFAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000000623950 209251276 /nfs/dbraw/zinc/25/12/76/209251276.db2.gz AAZRLEOBBFSJGJ-UHFFFAOYSA-N -1 0 393.856 2.823 50 0 GFAARM COC(=O)c1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000033663829 209244299 /nfs/dbraw/zinc/24/42/99/209244299.db2.gz VSAFZBWMQBEOFQ-UVTDQMKNSA-N -1 0 376.368 2.826 50 0 GFAARM Cc1nc2cc(CCC(=O)NCC3(CC(=O)[O-])CCCCC3)ccc2n(C)c1=O ZINC000218294926 211759791 /nfs/dbraw/zinc/75/97/91/211759791.db2.gz HNQBOGKXOSLHAZ-UHFFFAOYSA-N -1 0 399.491 2.716 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000006603765 211579551 /nfs/dbraw/zinc/57/95/51/211579551.db2.gz YSRBTLZFGKPIHV-MNRXQERYSA-N -1 0 375.421 2.793 50 0 GFAARM CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000004000227 211525328 /nfs/dbraw/zinc/52/53/28/211525328.db2.gz PUPLWZIOAIGMRK-FZMZJTMJSA-N -1 0 393.871 2.566 50 0 GFAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC(=O)[O-])oc1c3CCCC1 ZINC000002107185 211513104 /nfs/dbraw/zinc/51/31/04/211513104.db2.gz FSHXJWCVFXFKHX-UHFFFAOYSA-N -1 0 383.400 2.860 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002095353 211513132 /nfs/dbraw/zinc/51/31/32/211513132.db2.gz SVYHFIUVFJSAER-IUUKEHGRSA-N -1 0 387.432 2.665 50 0 GFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000237661289 211474784 /nfs/dbraw/zinc/47/47/84/211474784.db2.gz GSJHVALXSSVWCI-MRXNPFEDSA-N -1 0 378.226 2.572 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000100033389 211381111 /nfs/dbraw/zinc/38/11/11/211381111.db2.gz ACCQGHIXOMPUAC-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM Cc1c(Cl)cccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000098212474 211379601 /nfs/dbraw/zinc/37/96/01/211379601.db2.gz JSNCTMPYZZLIKS-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM CC[C@H](NC(=O)c1cc(OC)cc(C(=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000097547570 211367361 /nfs/dbraw/zinc/36/73/61/211367361.db2.gz UOBMQVHRXSBXQJ-KRWDZBQOSA-N -1 0 391.445 2.678 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C)o2)cc1F ZINC000096379589 211338805 /nfs/dbraw/zinc/33/88/05/211338805.db2.gz ITISDDXYFRMNOC-UHFFFAOYSA-N -1 0 380.401 2.938 50 0 GFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C)no2)c1 ZINC000096379750 211338498 /nfs/dbraw/zinc/33/84/98/211338498.db2.gz RPXAKSJFAVERIF-UHFFFAOYSA-N -1 0 392.437 2.808 50 0 GFAARM CSCc1ccc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)o1 ZINC000096179658 211316605 /nfs/dbraw/zinc/31/66/05/211316605.db2.gz YLHRMMNDOMLBCA-VBKZILBWSA-N -1 0 387.457 2.921 50 0 GFAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000096167036 211316607 /nfs/dbraw/zinc/31/66/07/211316607.db2.gz CHSBTFHWTXJOQL-FQEVSTJZSA-N -1 0 375.428 2.970 50 0 GFAARM COc1ccc([C@](C)(NC(=O)Cc2cc(C(C)=O)ccc2OC)C(=O)[O-])cc1 ZINC000095463986 211244687 /nfs/dbraw/zinc/24/46/87/211244687.db2.gz QXKNLCBCUIZZST-NRFANRHFSA-N -1 0 385.416 2.565 50 0 GFAARM CCCn1cc(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cn1 ZINC000095357272 211223555 /nfs/dbraw/zinc/22/35/55/211223555.db2.gz FYWHOYCSTYPAKA-INIZCTEOSA-N -1 0 377.466 2.560 50 0 GFAARM CCCn1cc(S(=O)(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000095380552 211232202 /nfs/dbraw/zinc/23/22/02/211232202.db2.gz SSAJFCZOZZIDTO-MRXNPFEDSA-N -1 0 377.466 2.560 50 0 GFAARM Cc1ncsc1CCC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)[O-])C1 ZINC000095376201 211230414 /nfs/dbraw/zinc/23/04/14/211230414.db2.gz GAXRMIQTTWIPEL-MGPUTAFESA-N -1 0 386.473 2.549 50 0 GFAARM Cn1c(=O)c(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cc2c1CCCC2 ZINC000095367564 211227266 /nfs/dbraw/zinc/22/72/66/211227266.db2.gz QWQMWHBRNJMXKI-SFHVURJKSA-N -1 0 394.471 2.982 50 0 GFAARM Cn1c2ccccc2nc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1=O ZINC000095365380 211225873 /nfs/dbraw/zinc/22/58/73/211225873.db2.gz KARHQVOOOJXIDO-MRXNPFEDSA-N -1 0 391.427 2.652 50 0 GFAARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C1/C[C@@H](c2ccc(Cl)cc2)NN1 ZINC000095190826 211219929 /nfs/dbraw/zinc/21/99/29/211219929.db2.gz MQLLVKGYIJPPDZ-DQHOPXMZSA-N -1 0 388.855 2.544 50 0 GFAARM COc1cccc([C@@H]2CN(C(=O)c3ccc4nccnc4c3)C[C@H]2C(=O)[O-])c1 ZINC000091988418 211212730 /nfs/dbraw/zinc/21/27/30/211212730.db2.gz LJZVMMDOJMECJU-DLBZAZTESA-N -1 0 377.400 2.579 50 0 GFAARM C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000089920494 211188398 /nfs/dbraw/zinc/18/83/98/211188398.db2.gz XOZBABYOXUVRSL-VXNVDRBHSA-N -1 0 375.650 2.909 50 0 GFAARM Cc1ccnc(-n2cc(S(=O)(=O)[N-]c3cccc(-c4nccn4C)c3)cn2)c1 ZINC000089701869 211182992 /nfs/dbraw/zinc/18/29/92/211182992.db2.gz LKVPDRRHSQRYGD-UHFFFAOYSA-N -1 0 394.460 2.777 50 0 GFAARM COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)OC)c1 ZINC000089420206 211178972 /nfs/dbraw/zinc/17/89/72/211178972.db2.gz HPCUKUIHBVPARD-UHFFFAOYSA-N -1 0 399.852 2.953 50 0 GFAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C)o3)c2)c1 ZINC000085621667 211177019 /nfs/dbraw/zinc/17/70/19/211177019.db2.gz ZGURIQBUNNLLOX-UHFFFAOYSA-N -1 0 392.437 2.971 50 0 GFAARM O=S(=O)([N-]c1n[nH]cc1-c1ccc2c(c1)OCO2)c1cc(F)cc(F)c1 ZINC000084490375 211169419 /nfs/dbraw/zinc/16/94/19/211169419.db2.gz GSDNBVDKRRNKRH-UHFFFAOYSA-N -1 0 379.344 2.884 50 0 GFAARM Cc1nc(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)nc2c1CCCC2 ZINC000072475457 211125061 /nfs/dbraw/zinc/12/50/61/211125061.db2.gz HJOTZQHYZKCYQX-UHFFFAOYSA-N -1 0 376.420 2.826 50 0 GFAARM Cc1nc(C(=O)N2CCC(C(=O)[O-])(n3ccc(-c4ccco4)n3)CC2)cs1 ZINC000072422605 211116812 /nfs/dbraw/zinc/11/68/12/211116812.db2.gz WWTQGJQAXPAYHU-UHFFFAOYSA-N -1 0 386.433 2.624 50 0 GFAARM O=C([O-])c1cccc(S(=O)(=O)N2CCc3cc(Br)ccc32)c1 ZINC000071833040 211065083 /nfs/dbraw/zinc/06/50/83/211065083.db2.gz QXHZWULUJWRQPQ-UHFFFAOYSA-N -1 0 382.235 2.899 50 0 GFAARM COc1ccc(Br)cc1Cn1nnc(C(=O)[O-])c1-c1cccnc1 ZINC000071327497 211045935 /nfs/dbraw/zinc/04/59/35/211045935.db2.gz UGKRQTSWKZIMIW-UHFFFAOYSA-N -1 0 389.209 2.858 50 0 GFAARM CC1(C)[C@H](C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)[C@@H]1C(=O)[O-] ZINC000071284871 211043447 /nfs/dbraw/zinc/04/34/47/211043447.db2.gz LZBLDEJBRXMYHI-ZWKOTPCHSA-N -1 0 380.444 2.954 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1N1CCCC1=O ZINC000021867866 210397010 /nfs/dbraw/zinc/39/70/10/210397010.db2.gz PUGLDCHHPNZINW-UHFFFAOYSA-N -1 0 382.388 2.901 50 0 GFAARM CCOC(=O)c1ccc(CSc2nnnn2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000019854503 210302736 /nfs/dbraw/zinc/30/27/36/210302736.db2.gz NDKAQJQQWYULHN-UHFFFAOYSA-N -1 0 384.417 2.830 50 0 GFAARM COc1ccc(-n2ccnc2CN2CCC[C@H](c3ccnn3CC(=O)[O-])C2)cc1 ZINC000426370652 533216079 /nfs/dbraw/zinc/21/60/79/533216079.db2.gz USWGOWOVTKRCMR-INIZCTEOSA-N -1 0 395.463 2.542 50 0 GFAARM COc1ccccc1NC(=O)CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1 ZINC000008671447 221048779 /nfs/dbraw/zinc/04/87/79/221048779.db2.gz ZALWOAAPDZKCRL-UHFFFAOYSA-N -1 0 397.456 2.806 50 0 GFAARM CSCC[C@H](NC(=O)N(C)Cc1cnn(-c2cccc(C)c2)c1)C(=O)[O-] ZINC000426489728 533650457 /nfs/dbraw/zinc/65/04/57/533650457.db2.gz XQHRFPSLKSXKFT-INIZCTEOSA-N -1 0 376.482 2.528 50 0 GFAARM COc1ccc(-c2noc(CCC(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])n2)cc1 ZINC000268950925 523281987 /nfs/dbraw/zinc/28/19/87/523281987.db2.gz TVNGXMRPJPMBQR-OIISXLGYSA-N -1 0 399.447 2.922 50 0 GFAARM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000003564286 551093875 /nfs/dbraw/zinc/09/38/75/551093875.db2.gz WBUCSRPKOIYLPN-UHFFFAOYSA-N -1 0 386.470 2.657 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3nccs3)cs2)cc1 ZINC000009819502 551103964 /nfs/dbraw/zinc/10/39/64/551103964.db2.gz FSVLUEXLNPIMGO-UHFFFAOYSA-N -1 0 394.503 2.890 50 0 GFAARM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1 ZINC000010512347 551105093 /nfs/dbraw/zinc/10/50/93/551105093.db2.gz WGCBHDSTOOWQDX-UHFFFAOYSA-N -1 0 394.499 2.863 50 0 GFAARM Cc1nonc1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000028248989 551123790 /nfs/dbraw/zinc/12/37/90/551123790.db2.gz AWCJDDLNKVDBNR-UHFFFAOYSA-N -1 0 397.048 2.704 50 0 GFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)s2)c1 ZINC000064920015 551185108 /nfs/dbraw/zinc/18/51/08/551185108.db2.gz GOPSTHSKYAKSMU-UHFFFAOYSA-N -1 0 381.435 2.925 50 0 GFAARM O=C([O-])C[C@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCO1 ZINC000238053373 553085817 /nfs/dbraw/zinc/08/58/17/553085817.db2.gz URBLMGYNROWAIR-JTQLQIEISA-N -1 0 386.882 2.770 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1cccs1 ZINC000238185892 553086883 /nfs/dbraw/zinc/08/68/83/553086883.db2.gz SQDMSXZWHCWHDY-LLVKDONJSA-N -1 0 380.857 2.738 50 0 GFAARM CCOc1cc(S(=O)(=O)[N-]c2ccccc2C(N)=O)ccc1Br ZINC000252485798 553149921 /nfs/dbraw/zinc/14/99/21/553149921.db2.gz HEQMQYJYEIRMHG-UHFFFAOYSA-N -1 0 399.266 2.748 50 0 GFAARM O=C([O-])CCN(C(=O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000299741965 563390739 /nfs/dbraw/zinc/39/07/39/563390739.db2.gz AMUFGKFEBCYRHN-UHFFFAOYSA-N -1 0 376.236 2.855 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCO1 ZINC000321889828 563448531 /nfs/dbraw/zinc/44/85/31/563448531.db2.gz LFDKNAIGFZOUGY-JTQLQIEISA-N -1 0 397.147 2.785 50 0 GFAARM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC)cc1 ZINC000048331771 570238308 /nfs/dbraw/zinc/23/83/08/570238308.db2.gz UEPGOVLPYKWTHP-UHFFFAOYSA-N -1 0 383.397 2.577 50 0 GFAARM Cc1cc(I)c(C(=O)[O-])cc1I ZINC000043214936 570271457 /nfs/dbraw/zinc/27/14/57/570271457.db2.gz JZRQVDCRZBNYHP-UHFFFAOYSA-N -1 0 387.942 2.902 50 0 GFAARM O=C([O-])C=CC(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)c1 ZINC000113564270 570271924 /nfs/dbraw/zinc/27/19/24/570271924.db2.gz JVGKQALPJVBTBS-ZNFPLGDCSA-N -1 0 396.424 2.690 50 0 GFAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c(OC)c1OC ZINC000004012429 570354547 /nfs/dbraw/zinc/35/45/47/570354547.db2.gz NEEYWOPERFZLCV-NVXWUHKLSA-N -1 0 382.416 2.882 50 0 GFAARM C[C@H]1CN(Cc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000237628745 570385043 /nfs/dbraw/zinc/38/50/43/570385043.db2.gz SBLKRDVGJWVIPQ-XGHQBKJUSA-N -1 0 396.487 2.722 50 0 GFAARM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)no1 ZINC000004756601 570403826 /nfs/dbraw/zinc/40/38/26/570403826.db2.gz NRDSOBURBHLBJC-UHFFFAOYSA-N -1 0 376.394 2.641 50 0 GFAARM COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000005135045 570424205 /nfs/dbraw/zinc/42/42/05/570424205.db2.gz QVFIXDUUDUOXKC-UHFFFAOYSA-N -1 0 377.418 2.897 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(C)=O)CCC3)c(OC)c1 ZINC000005136451 570424606 /nfs/dbraw/zinc/42/46/06/570424606.db2.gz TZDHMFWBBWZMTJ-UHFFFAOYSA-N -1 0 390.461 2.804 50 0 GFAARM CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)C(=O)[O-] ZINC000238901813 570427835 /nfs/dbraw/zinc/42/78/35/570427835.db2.gz MVJMLJLSYBIQBG-BXWFABGCSA-N -1 0 399.491 2.818 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000011865553 570440864 /nfs/dbraw/zinc/44/08/64/570440864.db2.gz BMUZWICCRQHOTG-DYZYQPBXSA-N -1 0 375.421 2.664 50 0 GFAARM O=C(Nc1ccc(Cl)cc1Cl)C(=O)C1=S([O-])c2ccccc2NC1=O ZINC000005739305 570454205 /nfs/dbraw/zinc/45/42/05/570454205.db2.gz PTUIGLJFYKYTGB-PWECECGKSA-N -1 0 397.239 2.630 50 0 GFAARM Cc1c(C)c2ccc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cc2oc1=O ZINC000245239904 570458908 /nfs/dbraw/zinc/45/89/08/570458908.db2.gz NFFRJLIAGVJWIQ-SHTZXODSSA-N -1 0 387.432 2.796 50 0 GFAARM O=C([O-])Cc1ccc(N[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000006579847 570480964 /nfs/dbraw/zinc/48/09/64/570480964.db2.gz LNFBETAWVZNJKF-HNNXBMFYSA-N -1 0 376.771 2.850 50 0 GFAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)c(C)cc2OC)cc1 ZINC000008132507 570522296 /nfs/dbraw/zinc/52/22/96/570522296.db2.gz JRSYMRAFIQTXRG-UHFFFAOYSA-N -1 0 379.434 2.990 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC ZINC000005329444 570554652 /nfs/dbraw/zinc/55/46/52/570554652.db2.gz MZBHQACWWUAMLL-UHFFFAOYSA-N -1 0 376.434 2.631 50 0 GFAARM COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000064837139 570560260 /nfs/dbraw/zinc/56/02/60/570560260.db2.gz ICNMPEFRJIEPKY-UHFFFAOYSA-N -1 0 385.445 2.863 50 0 GFAARM CC(C)Cc1ccc(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)[O-])c2)cc1 ZINC000064843444 570563383 /nfs/dbraw/zinc/56/33/83/570563383.db2.gz JDFQRIVYHVFDMN-UHFFFAOYSA-N -1 0 377.466 2.845 50 0 GFAARM COC(=O)/C=C1\[C@@H](CC(=O)[O-])[C@@H](c2ccc(OC)cc2)CC[C@]1(C)C(=O)OC ZINC000032573510 570591736 /nfs/dbraw/zinc/59/17/36/570591736.db2.gz LQFAEZLAAQIGEJ-ZLMMICIUSA-N -1 0 390.432 2.942 50 0 GFAARM CCOC(=O)c1cccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c1 ZINC000042783178 570622724 /nfs/dbraw/zinc/62/27/24/570622724.db2.gz LLNQBJGVMJASDM-GJZGRUSLSA-N -1 0 379.409 2.705 50 0 GFAARM CCOC(=O)c1ccccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000042783146 570622862 /nfs/dbraw/zinc/62/28/62/570622862.db2.gz TYGQHCQPPOJNQL-JSGCOSHPSA-N -1 0 379.409 2.705 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2 ZINC000006832646 570636079 /nfs/dbraw/zinc/63/60/79/570636079.db2.gz VLDSUDXUZLAUJA-UHFFFAOYSA-N -1 0 396.852 2.895 50 0 GFAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000036360963 570643667 /nfs/dbraw/zinc/64/36/67/570643667.db2.gz XACDJJJZONNMEW-NRFANRHFSA-N -1 0 393.443 2.674 50 0 GFAARM Cn1nc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)ccc1=O ZINC000065119431 570702642 /nfs/dbraw/zinc/70/26/42/570702642.db2.gz IJPZBFMWQKDMCR-UHFFFAOYSA-N -1 0 381.866 2.963 50 0 GFAARM Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000058223262 570721425 /nfs/dbraw/zinc/72/14/25/570721425.db2.gz XVBNVTUTYGGMCQ-GFCCVEGCSA-N -1 0 375.375 2.865 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc1 ZINC000065196206 570728404 /nfs/dbraw/zinc/72/84/04/570728404.db2.gz RBYGLRWUTGHEJO-UHFFFAOYSA-N -1 0 392.502 2.852 50 0 GFAARM COC(=O)c1cn([C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc2c(=O)[nH]nc1-2 ZINC000524735144 570773648 /nfs/dbraw/zinc/77/36/48/570773648.db2.gz YZBFNAKLFJQNPF-CYBMUJFWSA-N -1 0 375.768 2.593 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cccc(-c3noc(C)n3)c2)c(OC)c1 ZINC000033086327 570808438 /nfs/dbraw/zinc/80/84/38/570808438.db2.gz CUBVHIFPPPOXPX-UHFFFAOYSA-N -1 0 375.406 2.863 50 0 GFAARM COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)[n-]c2=O)cc1 ZINC000032778623 570811659 /nfs/dbraw/zinc/81/16/59/570811659.db2.gz FCHBYSYDQVSQFG-UHFFFAOYSA-N -1 0 398.444 2.992 50 0 GFAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000007323783 570829376 /nfs/dbraw/zinc/82/93/76/570829376.db2.gz WLFFSMPZIPYKAN-CYBMUJFWSA-N -1 0 390.461 2.802 50 0 GFAARM Cc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)Cc2ccccc2)cc1 ZINC000101801914 570834993 /nfs/dbraw/zinc/83/49/93/570834993.db2.gz PSPMIHLPQRPHGX-UHFFFAOYSA-N -1 0 387.443 2.810 50 0 GFAARM O=C(Nc1ccc(OCc2cc(=O)n3nc[n-]c3n2)cc1)c1ccccc1Cl ZINC000102621543 570854485 /nfs/dbraw/zinc/85/44/85/570854485.db2.gz PBHTWQNCTMZWSP-UHFFFAOYSA-N -1 0 395.806 2.902 50 0 GFAARM COc1ccc(NC(=O)CSc2nc(=O)c3sccc3[n-]2)cc1OC ZINC000051317199 570908946 /nfs/dbraw/zinc/90/89/46/570908946.db2.gz GIACUTWRGYFDEA-UHFFFAOYSA-N -1 0 377.447 2.733 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)NCCC(C)C)cs2)cc1 ZINC000012628211 570928151 /nfs/dbraw/zinc/92/81/51/570928151.db2.gz RFLAYBRNXBZUEO-UHFFFAOYSA-N -1 0 383.495 2.728 50 0 GFAARM Cc1c(O)ccc2c(C)c(CCC(=O)NC3(C(=O)[O-])CCCCC3)c(=O)oc12 ZINC000002105425 570948171 /nfs/dbraw/zinc/94/81/71/570948171.db2.gz YZIPRXZMDZUQFN-UHFFFAOYSA-N -1 0 387.432 2.952 50 0 GFAARM O=C([O-])CCCNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002105670 570948469 /nfs/dbraw/zinc/94/84/69/570948469.db2.gz QWFUCEJWHAXXRV-UHFFFAOYSA-N -1 0 381.384 2.820 50 0 GFAARM CC(C)c1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000004742773 570956865 /nfs/dbraw/zinc/95/68/65/570956865.db2.gz MUBGUUXDHCFYLH-BEFAXECRSA-N -1 0 382.460 2.740 50 0 GFAARM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3cc(C)ccn3)cs2)no1 ZINC000016650741 570994221 /nfs/dbraw/zinc/99/42/21/570994221.db2.gz POZDUVICJBEUCC-UHFFFAOYSA-N -1 0 378.435 2.801 50 0 GFAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1 ZINC000170671416 571008172 /nfs/dbraw/zinc/00/81/72/571008172.db2.gz XNLLBIAEXXOBQC-UHFFFAOYSA-N -1 0 388.387 2.916 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CO[C@@H]2CCC[C@H](C)C2)cc1OC ZINC000299741686 600533173 /nfs/dbraw/zinc/53/31/73/600533173.db2.gz ADIJIUFUQBNASN-IMJJTQAJSA-N -1 0 379.453 2.931 50 0 GFAARM CC(C)NC(=O)CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000002973720 654439130 /nfs/dbraw/zinc/43/91/30/654439130.db2.gz YXUHWURQDXUFRL-UHFFFAOYSA-N -1 0 384.299 2.753 50 0 GFAARM O=C(CCCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NCc1ccccc1 ZINC000002975225 230827244 /nfs/dbraw/zinc/82/72/44/230827244.db2.gz DQWQIAZAHCAGIN-UHFFFAOYSA-N -1 0 397.456 2.884 50 0 GFAARM CC[C@@]1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3[n-]cnc1=O ZINC000017056917 210201293 /nfs/dbraw/zinc/20/12/93/210201293.db2.gz IRXSIBLJBNTOAF-IBGZPJMESA-N -1 0 386.477 2.611 50 0 GFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(Cl)nc1 ZINC000016025004 210182523 /nfs/dbraw/zinc/18/25/23/210182523.db2.gz FZWKGSWQGJXWGT-UHFFFAOYSA-N -1 0 389.824 2.578 50 0 GFAARM CCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc(CC(C)C)cc1)c2=O ZINC000015942087 210179289 /nfs/dbraw/zinc/17/92/89/210179289.db2.gz XDKNDPMKXASHKO-UHFFFAOYSA-N -1 0 389.481 2.700 50 0 GFAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])cc1 ZINC000013317553 210057265 /nfs/dbraw/zinc/05/72/65/210057265.db2.gz UPVBENCXZZCPDQ-UHFFFAOYSA-N -1 0 390.461 2.585 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2ccc(OC)c(OC)c2)cc1 ZINC000013188633 210053889 /nfs/dbraw/zinc/05/38/89/210053889.db2.gz DYCFHXLWEUYTQR-KRWDZBQOSA-N -1 0 387.432 2.977 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)nc2scc(C)n2c1=O ZINC000006823599 209694092 /nfs/dbraw/zinc/69/40/92/209694092.db2.gz VGNIBPZMGZJDDY-UHFFFAOYSA-N -1 0 399.881 2.836 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000004763722 209523591 /nfs/dbraw/zinc/52/35/91/209523591.db2.gz GTXSTEDIVHHJQL-CWRNSKLLSA-N -1 0 396.509 2.650 50 0 GFAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ncn(Cc2cccc(C)c2)n1 ZINC000002804053 209388797 /nfs/dbraw/zinc/38/87/97/209388797.db2.gz YGGPJIOYHQDDPB-UHFFFAOYSA-N -1 0 396.423 2.644 50 0 GFAARM CCOC(=O)[C@@]1(C)C=C(Nc2ccc(C(=O)[O-])c(O)c2)C(=O)N1c1ccccc1 ZINC000002372799 209359784 /nfs/dbraw/zinc/35/97/84/209359784.db2.gz ZMADAYLPTXPYSD-OAQYLSRUSA-N -1 0 396.399 2.755 50 0 GFAARM COC(=O)c1[nH]c2ccc(F)cc2c1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000002241778 209352279 /nfs/dbraw/zinc/35/22/79/209352279.db2.gz CVSSWVXMXIIWJV-UHFFFAOYSA-N -1 0 378.381 2.903 50 0 GFAARM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002150766 209349213 /nfs/dbraw/zinc/34/92/13/209349213.db2.gz SVCBOTIKJUIHHB-SWLSCSKDSA-N -1 0 375.421 2.801 50 0 GFAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(=O)n(C)n3)cc2)s1 ZINC000010324933 209329547 /nfs/dbraw/zinc/32/95/47/209329547.db2.gz RJVIHNNGEVFVFE-UHFFFAOYSA-N -1 0 375.475 2.872 50 0 GFAARM CCCC[C@@H]1Oc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2NC1=O ZINC000257173485 209224697 /nfs/dbraw/zinc/22/46/97/209224697.db2.gz OQVXEMMWGSCEGR-ZDUSSCGKSA-N -1 0 382.467 2.537 50 0 GFAARM CCO[C@@H](C)c1nc(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)cs1 ZINC000151798990 211527125 /nfs/dbraw/zinc/52/71/25/211527125.db2.gz YGSNPXSKGBPPKN-VIFPVBQESA-N -1 0 390.433 2.946 50 0 GFAARM COc1ccc2c(c1OC)C(=O)N1[C@H]2c2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC000000754220 211488149 /nfs/dbraw/zinc/48/81/49/211488149.db2.gz NNRWDPOHSYYGEI-KBXCAEBGSA-N -1 0 378.384 2.740 50 0 biogenic,in-vitro GFAARM COC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100909429 211392056 /nfs/dbraw/zinc/39/20/56/211392056.db2.gz OAQUZBGICZJULB-RDJZCZTQSA-N -1 0 397.818 2.556 50 0 GFAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000100033307 211382454 /nfs/dbraw/zinc/38/24/54/211382454.db2.gz MQNMSQFOYXDPNX-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM O=C(Nc1ccccc1F)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000096361196 211336394 /nfs/dbraw/zinc/33/63/94/211336394.db2.gz NFVNSVNFNWFTCH-UHFFFAOYSA-N -1 0 378.360 2.741 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(C)c2)cc1 ZINC000096361137 211336934 /nfs/dbraw/zinc/33/69/34/211336934.db2.gz OVSSUBGSUTYJQV-UHFFFAOYSA-N -1 0 386.433 2.780 50 0 GFAARM O=C([O-])C1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000095969435 211289437 /nfs/dbraw/zinc/28/94/37/211289437.db2.gz LRKRYXZHXHDLHE-UHFFFAOYSA-N -1 0 393.443 2.939 50 0 GFAARM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)C1 ZINC000095500040 211252378 /nfs/dbraw/zinc/25/23/78/211252378.db2.gz NNWZBEBLXYHDRT-QFIPXVFZSA-N -1 0 377.444 2.937 50 0 GFAARM COc1ccc2oc(C)c(C(=O)Nc3cccc(C(=O)NCC(=O)[O-])c3)c2c1 ZINC000095425113 211239642 /nfs/dbraw/zinc/23/96/42/211239642.db2.gz JVENWOAFJJNSQR-UHFFFAOYSA-N -1 0 382.372 2.817 50 0 GFAARM O=C([O-])c1ccc(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)o1 ZINC000095425470 211239155 /nfs/dbraw/zinc/23/91/55/211239155.db2.gz AGCCGSKOHDYTDE-UHFFFAOYSA-N -1 0 399.424 2.882 50 0 GFAARM O=C([O-])c1cnn([C@H]2CCCN(C(=O)c3ccn(-c4cccc(Cl)c4)n3)C2)c1 ZINC000095453981 211242426 /nfs/dbraw/zinc/24/24/26/211242426.db2.gz YOVMAIVMJBTDFK-INIZCTEOSA-N -1 0 399.838 2.898 50 0 GFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)COc3ccc4c(c3)OCO4)C2)c1 ZINC000095361315 211224279 /nfs/dbraw/zinc/22/42/79/211224279.db2.gz ZRTYFEVPIWKNRF-MRXNPFEDSA-N -1 0 383.400 2.899 50 0 GFAARM CCCn1cc(S(=O)(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000095380551 211233184 /nfs/dbraw/zinc/23/31/84/211233184.db2.gz SSAJFCZOZZIDTO-INIZCTEOSA-N -1 0 377.466 2.560 50 0 GFAARM Cn1c(=O)c(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cc2c1CCCC2 ZINC000095379117 211232823 /nfs/dbraw/zinc/23/28/23/211232823.db2.gz XMDYZVSFDZSNPH-GOSISDBHSA-N -1 0 394.471 2.982 50 0 GFAARM C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C(=O)Nc1ccc(F)cc1)CC2 ZINC000091691037 211202450 /nfs/dbraw/zinc/20/24/50/211202450.db2.gz FVGFHWDSKSEAJE-ZDUSSCGKSA-N -1 0 377.416 2.535 50 0 GFAARM Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C(=O)[O-])cc(-c3cccs3)c12 ZINC000073666848 211126480 /nfs/dbraw/zinc/12/64/80/211126480.db2.gz RUOAFLASEVQYFF-JTQLQIEISA-N -1 0 377.447 2.526 50 0 GFAARM Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)c2n[nH]cc2Cl)CC1 ZINC000072432087 211118357 /nfs/dbraw/zinc/11/83/57/211118357.db2.gz OEDDVROHNONTAC-UHFFFAOYSA-N -1 0 381.791 2.649 50 0 GFAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CC(=O)Nc3nnc(-c4cccs4)n32)c1 ZINC000072405609 211114960 /nfs/dbraw/zinc/11/49/60/211114960.db2.gz UPJAIQOLMMZTJH-NSHDSACASA-N -1 0 383.389 2.876 50 0 GFAARM CC(=O)c1c(C)nn(CCC(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)c1C ZINC000072161292 211078129 /nfs/dbraw/zinc/07/81/29/211078129.db2.gz CYVSAZMRURCZBH-INIZCTEOSA-N -1 0 383.448 2.807 50 0 GFAARM Cc1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCN(C)CC3)c2)c1C ZINC000071774535 211063407 /nfs/dbraw/zinc/06/34/07/211063407.db2.gz VZAWVHMLLAXCSW-UHFFFAOYSA-N -1 0 388.489 2.605 50 0 GFAARM O=C([O-])c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1ccc[nH]1)CC2 ZINC000067886046 211026910 /nfs/dbraw/zinc/02/69/10/211026910.db2.gz KIAVBMHEAHFDCO-UHFFFAOYSA-N -1 0 378.432 2.741 50 0 GFAARM CC(C)N(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055227177 210882978 /nfs/dbraw/zinc/88/29/78/210882978.db2.gz WAWHUBWJTCMGNQ-QGZVFWFLSA-N -1 0 384.432 2.874 50 0 GFAARM COc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc(C(=O)[O-])c1OC ZINC000045946792 210830362 /nfs/dbraw/zinc/83/03/62/210830362.db2.gz GVNBWNIEUOESSC-NSHDSACASA-N -1 0 377.418 2.542 50 0 GFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000032933540 210604277 /nfs/dbraw/zinc/60/42/77/210604277.db2.gz CYYBVXSBTVYJBQ-UHFFFAOYSA-N -1 0 380.397 2.528 50 0 GFAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1 ZINC000020574720 210347597 /nfs/dbraw/zinc/34/75/97/210347597.db2.gz CIUXVZXJVIUSNT-UHFFFAOYSA-N -1 0 377.447 2.698 50 0 GFAARM COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCCC(=O)[O-])cc1 ZINC000020035230 210312466 /nfs/dbraw/zinc/31/24/66/210312466.db2.gz QLXAIIMSCNYADN-RGEXLXHISA-N -1 0 396.443 2.756 50 0 GFAARM CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)[O-])cc3OC)nc2N1C(C)C ZINC000095628816 136182577 /nfs/dbraw/zinc/18/25/77/136182577.db2.gz QNLSHJVWZNHSED-CQSZACIVSA-N -1 0 399.451 2.897 50 0 GFAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000055611880 551173519 /nfs/dbraw/zinc/17/35/19/551173519.db2.gz BWIGNXRIELBFOR-UHFFFAOYSA-N -1 0 399.266 2.666 50 0 GFAARM COc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)c1 ZINC000064919570 551185507 /nfs/dbraw/zinc/18/55/07/551185507.db2.gz FZHBXJXSDIIQAR-UHFFFAOYSA-N -1 0 380.491 2.722 50 0 GFAARM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C1CCOCC1 ZINC000238102847 553086361 /nfs/dbraw/zinc/08/63/61/553086361.db2.gz GLCSTPAHHQSDFF-HUUCEWRRSA-N -1 0 382.254 2.645 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCc3ccccc32)c(Br)o1 ZINC000238204490 553086934 /nfs/dbraw/zinc/08/69/34/553086934.db2.gz DMPJAGZAQAKVNK-SNVBAGLBSA-N -1 0 386.223 2.706 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(-n3cc(Br)cn3)c2)C1 ZINC000299745262 563390777 /nfs/dbraw/zinc/39/07/77/563390777.db2.gz XGOXQIZVAVKMPM-GFCCVEGCSA-N -1 0 378.226 2.572 50 0 GFAARM CC(C)c1nc(S(=O)(=O)NCc2nccnc2-c2ccsc2)cn1C ZINC000575620951 564701237 /nfs/dbraw/zinc/70/12/37/564701237.db2.gz WXUKBAMOUKXYCF-UHFFFAOYSA-N -1 0 377.495 2.541 50 0 GFAARM CO[C@](C)(C(=O)[O-])C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000663034530 565393000 /nfs/dbraw/zinc/39/30/00/565393000.db2.gz GZEXKFZBDKGJGN-DOMZBBRYSA-N -1 0 380.199 2.522 50 0 GFAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(C)cc2)c(C(=O)OC)c1C ZINC000000730161 570221634 /nfs/dbraw/zinc/22/16/34/570221634.db2.gz GUHXUKLVJGWIMP-UHFFFAOYSA-N -1 0 383.447 2.739 50 0 GFAARM O=S(=O)([N-]c1ccc(F)cc1OCCO)c1ccc(OC(F)(F)F)cc1 ZINC000048355714 570244031 /nfs/dbraw/zinc/24/40/31/570244031.db2.gz QTOBAOQAMNGRRJ-UHFFFAOYSA-N -1 0 395.330 2.896 50 0 GFAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000005145078 570274798 /nfs/dbraw/zinc/27/47/98/570274798.db2.gz DUEPMBFBSUJFEM-ZDUSSCGKSA-N -1 0 390.417 2.640 50 0 GFAARM C[C@@H](NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000007784975 570326826 /nfs/dbraw/zinc/32/68/26/570326826.db2.gz ITNJGKHBTRFPFB-LLVKDONJSA-N -1 0 385.807 2.626 50 0 GFAARM O=C([O-])CCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000004976784 570387849 /nfs/dbraw/zinc/38/78/49/570387849.db2.gz PQJAKUJXHNAVQN-KAMYIIQDSA-N -1 0 376.796 2.685 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)c(OC)c1 ZINC000005099535 570416343 /nfs/dbraw/zinc/41/63/43/570416343.db2.gz UOBGVYQFGHYUOH-UHFFFAOYSA-N -1 0 390.461 2.804 50 0 GFAARM O=C([O-])CN(C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)C1CCOCC1 ZINC000238114340 570425411 /nfs/dbraw/zinc/42/54/11/570425411.db2.gz YZQVFCWSQRMVKK-UHFFFAOYSA-N -1 0 397.353 2.597 50 0 GFAARM CCOc1ccccc1NC(=O)[C@@H](Cc1cc(OC)ccc1OC)c1nnn[n-]1 ZINC000005444725 570440086 /nfs/dbraw/zinc/44/00/86/570440086.db2.gz CVJZAYNPJWZYME-HNNXBMFYSA-N -1 0 397.435 2.581 50 0 GFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cncc(Br)c2)c1 ZINC000024153038 570463454 /nfs/dbraw/zinc/46/34/54/570463454.db2.gz WRRUNGMGILZKKJ-UHFFFAOYSA-N -1 0 385.239 2.596 50 0 GFAARM CCCOc1ccc(-c2nc(C(=O)N3CCOC[C@H]3C(=O)[O-])cs2)cc1 ZINC000268963778 570496515 /nfs/dbraw/zinc/49/65/15/570496515.db2.gz BCVWUTHGPNYMQF-HNNXBMFYSA-N -1 0 376.434 2.525 50 0 GFAARM CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000006951450 570499413 /nfs/dbraw/zinc/49/94/13/570499413.db2.gz CDPPNNVWAPRPEN-MHWRWJLKSA-N -1 0 396.399 2.885 50 0 GFAARM CC(C)=CCOc1ccc2c(C)c(CC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc2c1C ZINC000006624033 570508434 /nfs/dbraw/zinc/50/84/34/570508434.db2.gz PPPNOJXLJMYITH-AWEZNQCLSA-N -1 0 387.432 2.887 50 0 GFAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCC(=O)[O-])OC(C)(C)CC3 ZINC000006624405 570508717 /nfs/dbraw/zinc/50/87/17/570508717.db2.gz LJNRNRXEHFJCST-UHFFFAOYSA-N -1 0 387.432 2.729 50 0 GFAARM CCc1ccc(NC(=O)[C@@H](Cc2cc(OC)ccc2OC)c2nnn[n-]2)cc1 ZINC000009434900 570557882 /nfs/dbraw/zinc/55/78/82/570557882.db2.gz KKZFAFAFGBIRRV-KRWDZBQOSA-N -1 0 381.436 2.744 50 0 GFAARM COc1ccccc1Oc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000036293798 570562716 /nfs/dbraw/zinc/56/27/16/570562716.db2.gz QCHPUVCGQMQMLS-HNNXBMFYSA-N -1 0 377.418 2.725 50 0 GFAARM Cc1cccc(F)c1S(=O)(=O)N(Cc1ccccc1)[C@@]1(C(=O)[O-])CCOC1 ZINC000225839822 570624397 /nfs/dbraw/zinc/62/43/97/570624397.db2.gz HYZBSIZZHSPJOR-IBGZPJMESA-N -1 0 393.436 2.569 50 0 GFAARM C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)/C=C/C(=O)[O-])ccc32)C1 ZINC000036359356 570641034 /nfs/dbraw/zinc/64/10/34/570641034.db2.gz HMUZHIACPWHYCM-FOFFECOMSA-N -1 0 399.447 2.851 50 0 GFAARM COc1ccccc1Cn1c(C)c2c(cc1=O)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012321654 570642964 /nfs/dbraw/zinc/64/29/64/570642964.db2.gz GBKRGHHUQFXPCV-UHFFFAOYSA-N -1 0 379.391 2.985 50 0 GFAARM CC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000005624591 570673985 /nfs/dbraw/zinc/67/39/85/570673985.db2.gz NOXFWGOISWYROR-XMHGGMMESA-N -1 0 388.427 2.857 50 0 GFAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000006887591 570682067 /nfs/dbraw/zinc/68/20/67/570682067.db2.gz DFVITYAJLVTELA-UHFFFAOYSA-N -1 0 396.465 2.637 50 0 GFAARM COc1ccc(F)cc1[C@H](C(=O)[O-])N1CC=C(n2c(=O)[nH]c3ccccc32)CC1 ZINC000055414375 570695717 /nfs/dbraw/zinc/69/57/17/570695717.db2.gz ZCKLDAKUXZLQPO-LJQANCHMSA-N -1 0 397.406 2.850 50 0 GFAARM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000014728869 570738029 /nfs/dbraw/zinc/73/80/29/570738029.db2.gz TVEKRFWMOKZHRJ-UHFFFAOYSA-N -1 0 384.248 2.985 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000004484064 570805531 /nfs/dbraw/zinc/80/55/31/570805531.db2.gz YTNTXHKIGHUMTN-RTBURBONSA-N -1 0 391.431 2.544 50 0 GFAARM CC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000101456089 570823608 /nfs/dbraw/zinc/82/36/08/570823608.db2.gz WEXUFDNZIFAWCQ-CYBMUJFWSA-N -1 0 392.868 2.510 50 0 GFAARM C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102654545 570855982 /nfs/dbraw/zinc/85/59/82/570855982.db2.gz XZDJTLCFDWBOEW-BLLLJJGKSA-N -1 0 375.494 2.547 50 0 GFAARM CC(C)(C)C(=O)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012560840 570864730 /nfs/dbraw/zinc/86/47/30/570864730.db2.gz QEZQGMKNHNPRSK-UHFFFAOYSA-N -1 0 392.452 2.972 50 0 GFAARM Cc1c(O)ccc2c(C)c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(=O)oc12 ZINC000002101586 570942540 /nfs/dbraw/zinc/94/25/40/570942540.db2.gz ZGWLUQXBQKFZEQ-GOSISDBHSA-N -1 0 381.384 2.600 50 0 GFAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)Cc1ccc2c(c1)OCCO2 ZINC000486003071 570946285 /nfs/dbraw/zinc/94/62/85/570946285.db2.gz HULDQEBDMXRFBC-UHFFFAOYSA-N -1 0 391.370 2.782 50 0 GFAARM Cc1noc(-c2csc(S(=O)(=O)[N-]c3ccccc3C(N)=O)c2)c1C ZINC000044920983 570983588 /nfs/dbraw/zinc/98/35/88/570983588.db2.gz BWOYAQJNTUGTJV-UHFFFAOYSA-N -1 0 377.447 2.920 50 0 GFAARM Cc1cc(=O)n2nc(CN(C(=O)c3cccs3)c3ccc(F)cc3)[n-]c2n1 ZINC000046020733 571012565 /nfs/dbraw/zinc/01/25/65/571012565.db2.gz NTOVUTKOTYRXRQ-UHFFFAOYSA-N -1 0 383.408 2.774 50 0 GFAARM Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)s1 ZINC000275275083 597053236 /nfs/dbraw/zinc/05/32/36/597053236.db2.gz KHLVBXXGKBVSOF-SECBINFHSA-N -1 0 382.301 2.694 50 0 GFAARM CCCOc1c(Br)cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000269216549 597502769 /nfs/dbraw/zinc/50/27/69/597502769.db2.gz YJDPQJCGZHMLRV-SNVBAGLBSA-N -1 0 386.242 2.793 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CCO1 ZINC000299750373 599943093 /nfs/dbraw/zinc/94/30/93/599943093.db2.gz NHARZAFNLXILSV-AWEZNQCLSA-N -1 0 384.413 2.996 50 0 GFAARM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000262313260 601085935 /nfs/dbraw/zinc/08/59/35/601085935.db2.gz QDASAAHYLRTRFO-AWEZNQCLSA-N -1 0 386.370 2.648 50 0 GFAARM CCn1ncc(CN(C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1C ZINC000426397652 231213296 /nfs/dbraw/zinc/21/32/96/231213296.db2.gz WJDFYGNXWNSCNW-SFHVURJKSA-N -1 0 383.452 2.530 50 0 GFAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(Br)cc1F)C2=O ZINC000018038688 210213368 /nfs/dbraw/zinc/21/33/68/210213368.db2.gz VMXXBMGFHBMHRN-UHFFFAOYSA-N -1 0 398.232 2.734 50 0 GFAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000016102266 210184723 /nfs/dbraw/zinc/18/47/23/210184723.db2.gz AKFSMLYJKZHSPM-WFAGLZIHSA-N -1 0 375.424 2.988 50 0 GFAARM O=C([O-])C1CCN([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000013856348 210093186 /nfs/dbraw/zinc/09/31/86/210093186.db2.gz MCATYWYBZHIWMS-IBGZPJMESA-N -1 0 394.427 2.907 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCCn2ccnc2)cc1 ZINC000013689608 210079495 /nfs/dbraw/zinc/07/94/95/210079495.db2.gz YSKKSKRQASXJKO-UHFFFAOYSA-N -1 0 398.488 2.812 50 0 GFAARM COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc([N-]S(C)(=O)=O)nn32)cc1 ZINC000013121976 210051479 /nfs/dbraw/zinc/05/14/79/210051479.db2.gz OHVDRDXOXGFHNM-DLBZAZTESA-N -1 0 399.476 2.805 50 0 GFAARM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)C1=O ZINC000012992847 210042763 /nfs/dbraw/zinc/04/27/63/210042763.db2.gz MWWBSXFVPUCTEW-ZHZWZMEUSA-N -1 0 380.400 2.927 50 0 GFAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1)O[C@H](C)C2 ZINC000012526037 209969591 /nfs/dbraw/zinc/96/95/91/209969591.db2.gz YKWIEGVDFPHPJJ-GFCCVEGCSA-N -1 0 391.445 2.996 50 0 GFAARM CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000006244064 209638712 /nfs/dbraw/zinc/63/87/12/209638712.db2.gz XQUAWPQLNSMYJG-UHFFFAOYSA-N -1 0 389.477 2.976 50 0 GFAARM O=C([O-])CCc1nn2c3ccccc3n(Cc3ccccc3Cl)c2nc1=O ZINC000004858708 209534035 /nfs/dbraw/zinc/53/40/35/209534035.db2.gz IIVRFSITUWGRKA-UHFFFAOYSA-N -1 0 382.807 2.763 50 0 GFAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N(C)C2CCCCC2)c1OC ZINC000003329041 209425264 /nfs/dbraw/zinc/42/52/64/209425264.db2.gz PACJABBJSAVKIA-MDZDMXLPSA-N -1 0 383.466 2.755 50 0 GFAARM CCOC(=O)c1ccc(C(=O)OCC)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000002801101 209386566 /nfs/dbraw/zinc/38/65/66/209386566.db2.gz LMIYGGSMPMMYTQ-ZIAGYGMSSA-N -1 0 389.404 2.646 50 0 GFAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)[O-] ZINC000002568077 209369680 /nfs/dbraw/zinc/36/96/80/209369680.db2.gz JZLZDBGQWRBTHN-LLVKDONJSA-N -1 0 391.205 2.812 50 0 GFAARM CC(=O)N[C@@H](CSc1cc(C)nc2ccc(Br)cc21)C(=O)[O-] ZINC000002419940 209362988 /nfs/dbraw/zinc/36/29/88/209362988.db2.gz LAJAYRAKHFWSGO-ZDUSSCGKSA-N -1 0 383.267 2.987 50 0 GFAARM Cn1cncc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002392285 209361133 /nfs/dbraw/zinc/36/11/33/209361133.db2.gz UEDYXEZHNPXCFB-FQEVSTJZSA-N -1 0 391.427 2.955 50 0 GFAARM CN1C(=O)[C@](O)(CC(=O)C2=C([O-])c3ccccc3CC2)c2cc(Cl)ccc21 ZINC000002353605 209358967 /nfs/dbraw/zinc/35/89/67/209358967.db2.gz JPARBIBNMJGEIY-BTYIYWSLSA-N -1 0 383.831 2.909 50 0 GFAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)c12 ZINC000002121723 209347830 /nfs/dbraw/zinc/34/78/30/209347830.db2.gz VFSXWQGFFLXHDP-IBGZPJMESA-N -1 0 375.421 2.658 50 0 GFAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](CCC)C(=O)[O-])ccc12 ZINC000002104191 209347194 /nfs/dbraw/zinc/34/71/94/209347194.db2.gz FUZDNNDXMUGHAC-WBMJQRKESA-N -1 0 375.421 2.882 50 0 GFAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002098953 209346537 /nfs/dbraw/zinc/34/65/37/209346537.db2.gz UNCCPQVPAPFZBH-ZDUSSCGKSA-N -1 0 375.421 2.802 50 0 GFAARM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2c(F)cccc2F)c3=O)cc1 ZINC000010251465 209322215 /nfs/dbraw/zinc/32/22/15/209322215.db2.gz ZNWAQTKZJNHSQK-UHFFFAOYSA-N -1 0 381.342 2.553 50 0 GFAARM COc1ccc(C[C@H](C(=O)Nc2cc(C)ccc2C)c2nnn[n-]2)c(OC)c1 ZINC000000931765 209279108 /nfs/dbraw/zinc/27/91/08/209279108.db2.gz GOVQXEUYYAESFH-INIZCTEOSA-N -1 0 381.436 2.799 50 0 GFAARM CCOc1ccc(C(=O)CCNc2ccc(C(=O)NCCC(=O)[O-])cc2)cc1 ZINC000026959086 211846314 /nfs/dbraw/zinc/84/63/14/211846314.db2.gz YMCGLJMZIKUFBT-UHFFFAOYSA-N -1 0 384.432 2.975 50 0 GFAARM CSCC[C@H](C(=O)Nc1ccccc1C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000008429425 211597388 /nfs/dbraw/zinc/59/73/88/211597388.db2.gz XWEIDLKYOFWVHH-MRXNPFEDSA-N -1 0 398.440 2.741 50 0 GFAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)o1 ZINC000238118545 211477804 /nfs/dbraw/zinc/47/78/04/211477804.db2.gz UZYNNZNINRGNAV-NSHDSACASA-N -1 0 397.214 2.954 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100563720 211388633 /nfs/dbraw/zinc/38/86/33/211388633.db2.gz QMSRKXOPQMMKMS-NVXWUHKLSA-N -1 0 397.818 2.637 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(F)c2)cc1 ZINC000096361151 211336513 /nfs/dbraw/zinc/33/65/13/211336513.db2.gz BGSBXZXJUVFLSK-UHFFFAOYSA-N -1 0 390.396 2.611 50 0 GFAARM CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1)C(=O)[O-] ZINC000095970433 211289444 /nfs/dbraw/zinc/28/94/44/211289444.db2.gz IGKJYUPICDCGFI-HNNXBMFYSA-N -1 0 394.424 2.528 50 0 GFAARM CC[C@@](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000095970010 211288608 /nfs/dbraw/zinc/28/86/08/211288608.db2.gz RPWOHMPOOLBEHG-SFHVURJKSA-N -1 0 395.864 2.863 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C[C@H]1c1ccccc1 ZINC000092028931 211213682 /nfs/dbraw/zinc/21/36/82/211213682.db2.gz NTQXAGYKIVHHPF-DLBZAZTESA-N -1 0 377.400 2.723 50 0 GFAARM [O-]c1c(I)cc(F)c(F)c1I ZINC000085221539 211175769 /nfs/dbraw/zinc/17/57/69/211175769.db2.gz CCJXITPNMWRFFR-UHFFFAOYSA-N -1 0 381.885 2.880 50 0 GFAARM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)[C@H]1CCCO1 ZINC000078597048 211146937 /nfs/dbraw/zinc/14/69/37/211146937.db2.gz YBQFZZMUBCLJQN-XHDPSFHLSA-N -1 0 396.490 2.552 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 ZINC000072401132 211111876 /nfs/dbraw/zinc/11/18/76/211111876.db2.gz QPYROOHOPLPGMD-UHFFFAOYSA-N -1 0 397.778 2.728 50 0 GFAARM COc1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCC3)c2)c(OC)c1 ZINC000072149004 211075392 /nfs/dbraw/zinc/07/53/92/211075392.db2.gz FWUFMXWOYUVEBN-UHFFFAOYSA-N -1 0 391.445 2.854 50 0 GFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1 ZINC000071288683 211044313 /nfs/dbraw/zinc/04/43/13/211044313.db2.gz MJLRIFZRTSPKQX-QZTJIDSGSA-N -1 0 382.416 2.999 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000071285445 211044206 /nfs/dbraw/zinc/04/42/06/211044206.db2.gz NDZPIEBSUCWQQH-IRXDYDNUSA-N -1 0 379.416 2.580 50 0 GFAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)CSC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000067851673 211024067 /nfs/dbraw/zinc/02/40/67/211024067.db2.gz NMJVEAQXZVMTFU-DUKHMXAISA-N -1 0 377.510 2.970 50 0 GFAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC1=NCCS1 ZINC000040042672 210767045 /nfs/dbraw/zinc/76/70/45/210767045.db2.gz VADWXIWCUKROFM-UHFFFAOYSA-N -1 0 393.465 2.768 50 0 GFAARM CCc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)n2nc(C)cc2C)cc1 ZINC000021731058 210391638 /nfs/dbraw/zinc/39/16/38/210391638.db2.gz IVUKYHKDWDAUST-UHFFFAOYSA-N -1 0 387.465 2.583 50 0 GFAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c2=O)s1 ZINC000020922026 210368162 /nfs/dbraw/zinc/36/81/62/210368162.db2.gz NWSKPAUTYTZHSU-UHFFFAOYSA-N -1 0 387.845 2.966 50 0 GFAARM CC(=O)Nc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000019880938 210304420 /nfs/dbraw/zinc/30/44/20/210304420.db2.gz ZDCZXHYKEDGPMY-MRXNPFEDSA-N -1 0 384.413 2.767 50 0 GFAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000019881503 210304343 /nfs/dbraw/zinc/30/43/43/210304343.db2.gz WVWJWOYKWNYLPT-GFCCVEGCSA-N -1 0 380.784 2.997 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCN1C(=O)CCc2cc(F)ccc21 ZINC000238024718 136192392 /nfs/dbraw/zinc/19/23/92/136192392.db2.gz STJPBPLQGOJGLM-LJQANCHMSA-N -1 0 396.418 2.533 50 0 GFAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)N1CCCc2ccccc21 ZINC000004306475 136193905 /nfs/dbraw/zinc/19/39/05/136193905.db2.gz SYJXSKFDFRHLCL-UHFFFAOYSA-N -1 0 387.486 2.869 50 0 GFAARM O=C1[N-]C(=O)[C@@]2(Cc3cccc(F)c3N3CCOC[C@@H]32)C(=O)N1c1ccccc1 ZINC000025185169 136202801 /nfs/dbraw/zinc/20/28/01/136202801.db2.gz TVBCTALBKNVSJY-IERDGZPVSA-N -1 0 395.390 2.697 50 0 GFAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)c1 ZINC000045961699 524439321 /nfs/dbraw/zinc/43/93/21/524439321.db2.gz ZHDXZTRMEOZRIV-UHFFFAOYSA-N -1 0 380.491 2.638 50 0 GFAARM COc1ccc(C=CC(O)=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1O ZINC000101392142 536595419 /nfs/dbraw/zinc/59/54/19/536595419.db2.gz KLZBGELVZUZBBL-AHZSMNOQSA-N -1 0 398.346 2.648 50 0 GFAARM COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000013342693 551108714 /nfs/dbraw/zinc/10/87/14/551108714.db2.gz DMAAQZWMCIMHJB-UHFFFAOYSA-N -1 0 383.809 2.934 50 0 GFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3ccnn3C)cs2)c1 ZINC000065112361 551185927 /nfs/dbraw/zinc/18/59/27/551185927.db2.gz PEYSDTSEFQZTEA-UHFFFAOYSA-N -1 0 379.463 2.967 50 0 GFAARM CN1CCN([C@H](c2sc3ncnn3c2[O-])c2ccc(F)c(Cl)c2)CC1 ZINC000252510012 553149737 /nfs/dbraw/zinc/14/97/37/553149737.db2.gz ZACGPQOXINEQDK-ZDUSSCGKSA-N -1 0 381.864 2.626 50 0 GFAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(CCCn1ccnc1)Cc1ccncc1 ZINC000214953902 570282857 /nfs/dbraw/zinc/28/28/57/570282857.db2.gz XLXMXVOXAKLCDX-UHFFFAOYSA-N -1 0 381.436 2.654 50 0 GFAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(Br)ccc1O ZINC000022185386 570306824 /nfs/dbraw/zinc/30/68/24/570306824.db2.gz DCFVIABNTNUITQ-UHFFFAOYSA-N -1 0 394.250 2.725 50 0 GFAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c(OC)c1OC ZINC000004012432 570354539 /nfs/dbraw/zinc/35/45/39/570354539.db2.gz NEEYWOPERFZLCV-RDJZCZTQSA-N -1 0 382.416 2.882 50 0 GFAARM Cc1cc(=O)n2nc(CN(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)[n-]c2n1 ZINC000035476767 570365873 /nfs/dbraw/zinc/36/58/73/570365873.db2.gz WHEZFJNYXOVYFK-UHFFFAOYSA-N -1 0 395.369 2.851 50 0 GFAARM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2ccc3ccccc3n2)C1=O ZINC000023946256 570375496 /nfs/dbraw/zinc/37/54/96/570375496.db2.gz FRQZOHPLJSOZCK-QFIPXVFZSA-N -1 0 388.427 2.823 50 0 GFAARM O=C([O-])CNC(=O)c1ccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000190882106 570376081 /nfs/dbraw/zinc/37/60/81/570376081.db2.gz KGDZLDCXAMYPLA-UHFFFAOYSA-N -1 0 388.370 2.840 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000004535720 570382806 /nfs/dbraw/zinc/38/28/06/570382806.db2.gz BSRAGXJNZJMFMY-BHYGNILZSA-N -1 0 378.469 2.943 50 0 GFAARM Cc1cc(C)n(Cc2cccc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)c2)n1 ZINC000237665762 570388795 /nfs/dbraw/zinc/38/87/95/570388795.db2.gz JCMJQKCQKNOPOS-LJQANCHMSA-N -1 0 385.464 2.644 50 0 GFAARM Cc1oc(-c2ccsc2)nc1CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000237668978 570388873 /nfs/dbraw/zinc/38/88/73/570388873.db2.gz DODWYUJHUUPROX-CQSZACIVSA-N -1 0 378.450 2.736 50 0 GFAARM Cc1nc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])nn1-c1ccc(Cl)cc1 ZINC000237681173 570389739 /nfs/dbraw/zinc/38/97/39/570389739.db2.gz NCGRRYYPTKVBEQ-QGZVFWFLSA-N -1 0 396.834 2.881 50 0 GFAARM Cc1nc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)nn1-c1ccc(Cl)cc1 ZINC000237826920 570403093 /nfs/dbraw/zinc/40/30/93/570403093.db2.gz SFCPHATWJUJLAW-ZDUSSCGKSA-N -1 0 376.844 2.946 50 0 GFAARM Cc1ccc(-c2ccc(CCC(=O)N[C@@H]3CCOC[C@H]3OCC(=O)[O-])o2)cc1 ZINC000222229557 570407792 /nfs/dbraw/zinc/40/77/92/570407792.db2.gz ZQPXKSZHOMEKRM-IEBWSBKVSA-N -1 0 387.432 2.563 50 0 GFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000005099510 570416294 /nfs/dbraw/zinc/41/62/94/570416294.db2.gz CORVNUFJXOCXNT-UHFFFAOYSA-N -1 0 390.461 2.804 50 0 GFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000005074144 570428378 /nfs/dbraw/zinc/42/83/78/570428378.db2.gz UCRLHEGXDVZBKA-QGZVFWFLSA-N -1 0 378.384 2.958 50 0 GFAARM CCn1c2ccccc2c([O-])c(C(=O)NCCc2ccc(OC)c(OC)c2)c1=O ZINC000100811359 570449941 /nfs/dbraw/zinc/44/99/41/570449941.db2.gz RQIWFRHFRNBTMP-UHFFFAOYSA-N -1 0 396.443 2.717 50 0 GFAARM CCOc1cc(C(=O)N[C@H]2C[C@H](OCC)C23CCC3)ccc1OCC(=O)[O-] ZINC000268939141 570479053 /nfs/dbraw/zinc/47/90/53/570479053.db2.gz IRPYGNMPBMJQTN-IRXDYDNUSA-N -1 0 377.437 2.626 50 0 GFAARM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2csc(-c3ccco3)n2)C1=O ZINC000030521317 570490532 /nfs/dbraw/zinc/49/05/32/570490532.db2.gz XUJWPMQSSXDSCM-IBGZPJMESA-N -1 0 396.428 2.905 50 0 GFAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@H]1C(=O)[O-])OC(C)(C)CC3 ZINC000006624336 570508802 /nfs/dbraw/zinc/50/88/02/570508802.db2.gz QLJJENPTFPHHGW-INIZCTEOSA-N -1 0 399.443 2.823 50 0 GFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(Cc2cc(C)n[nH]c2=O)cc1 ZINC000033026609 570518337 /nfs/dbraw/zinc/51/83/37/570518337.db2.gz JESUBJXZRFILOE-UHFFFAOYSA-N -1 0 399.472 2.787 50 0 GFAARM O=C([O-])c1ccc(NCc2cccnc2)c(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000001117041 570535004 /nfs/dbraw/zinc/53/50/04/570535004.db2.gz JNYJLYZTBDSDPA-HZPDHXFCSA-N -1 0 377.400 2.848 50 0 GFAARM [O-]c1cc(I)c(Br)nc1Br ZINC000035270329 570550521 /nfs/dbraw/zinc/55/05/21/570550521.db2.gz ROFLBQPJOBJFTH-UHFFFAOYSA-N -1 0 378.789 2.917 50 0 GFAARM O=C([O-])c1cc(NC(=O)c2ccc(C=C3SC(=O)NC3=O)cc2)ccc1O ZINC000005346171 570561055 /nfs/dbraw/zinc/56/10/55/570561055.db2.gz IGALEVPFPMTEFZ-VGOFMYFVSA-N -1 0 384.369 2.667 50 0 GFAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC ZINC000064862457 570570198 /nfs/dbraw/zinc/57/01/98/570570198.db2.gz FQHHEXPMGPGSLW-UHFFFAOYSA-N -1 0 375.450 2.588 50 0 GFAARM O=C([O-])c1cc(Nc2nc3ccccc3n3cnnc23)ccc1N1CCOCC1 ZINC000006792871 570596869 /nfs/dbraw/zinc/59/68/69/570596869.db2.gz ZRJIZRGDBWNRNH-UHFFFAOYSA-N -1 0 390.403 2.556 50 0 GFAARM Cc1ccc(C(=O)N[C@@H](c2nnc(-c3cccs3)o2)[P@@](=O)([O-])O)cc1 ZINC000041154266 570648271 /nfs/dbraw/zinc/64/82/71/570648271.db2.gz ATUJPFIVCYBDQE-OAHLLOKOSA-N -1 0 379.334 2.713 50 0 GFAARM O=C([O-])[C@@H](Cc1cc[nH]n1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002585978 570663352 /nfs/dbraw/zinc/66/33/52/570663352.db2.gz GFIVRGPOWWPVDJ-LJQANCHMSA-N -1 0 377.400 2.944 50 0 GFAARM CCOC(=O)[C@@H]1CC=C2[C@@H]3CC[C@]4(O)C[C@H](O)CC[C@]4(C(=O)[O-])[C@H]3CC[C@@]21C ZINC000254381487 570736114 /nfs/dbraw/zinc/73/61/14/570736114.db2.gz RIUISGYIXPQHGQ-WLLUSHMASA-N -1 0 392.492 2.669 50 0 GFAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)cc1 ZINC000065250035 570748905 /nfs/dbraw/zinc/74/89/05/570748905.db2.gz YWDYMKBEWCBBNG-UHFFFAOYSA-N -1 0 390.399 2.989 50 0 GFAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)Cc1c(F)cccc1Cl ZINC000007107884 570791135 /nfs/dbraw/zinc/79/11/35/570791135.db2.gz BZAFOZIMWKIPBJ-UHFFFAOYSA-N -1 0 379.771 2.530 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC12CCOCC2)c1ccc(Br)cc1 ZINC000170066328 570799255 /nfs/dbraw/zinc/79/92/55/570799255.db2.gz ZFCBUZYFESATAV-UONOGXRCSA-N -1 0 382.254 2.898 50 0 GFAARM O=C(Cc1csc(-c2cccc(F)c2)n1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000102141315 570842110 /nfs/dbraw/zinc/84/21/10/570842110.db2.gz RIMIQXAVWSJZMD-OAHLLOKOSA-N -1 0 398.481 2.507 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1OC ZINC000102820617 570865880 /nfs/dbraw/zinc/86/58/80/570865880.db2.gz OIFCTHPZOAEFMR-IRXDYDNUSA-N -1 0 384.367 2.649 50 0 GFAARM Cc1nn(C)c(Oc2cccnc2)c1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000170617504 570876367 /nfs/dbraw/zinc/87/63/67/570876367.db2.gz HMCSBWNPAURYPZ-UHFFFAOYSA-N -1 0 387.465 2.783 50 0 GFAARM O=C([O-])CN(C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CCOCC1 ZINC000238113530 570891334 /nfs/dbraw/zinc/89/13/34/570891334.db2.gz LNGFCNPXNKEYPC-UHFFFAOYSA-N -1 0 397.353 2.597 50 0 GFAARM O=C(c1ccsc1)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097123668 570897448 /nfs/dbraw/zinc/89/74/48/570897448.db2.gz CLFAAARLHSYFHD-UHFFFAOYSA-N -1 0 376.441 2.950 50 0 GFAARM O=C([O-])C=CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2Cl)cc1 ZINC000017079173 570926944 /nfs/dbraw/zinc/92/69/44/570926944.db2.gz XJCBWTFLWQAIES-MDZDMXLPSA-N -1 0 387.775 2.959 50 0 GFAARM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)no1 ZINC000032926295 570938368 /nfs/dbraw/zinc/93/83/68/570938368.db2.gz QOXPRFVAITZEMI-UHFFFAOYSA-N -1 0 383.385 2.952 50 0 GFAARM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000014867697 570938649 /nfs/dbraw/zinc/93/86/49/570938649.db2.gz FQNMSRXLKSJJDJ-UHFFFAOYSA-N -1 0 377.846 2.992 50 0 GFAARM COc1ccc2c(C)c(CCC(=O)NCCCCCC(=O)[O-])c(=O)oc2c1 ZINC000002099175 570941709 /nfs/dbraw/zinc/94/17/09/570941709.db2.gz REUNPCIFPOYEDV-UHFFFAOYSA-N -1 0 375.421 2.804 50 0 GFAARM COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c12 ZINC000002116796 570952346 /nfs/dbraw/zinc/95/23/46/570952346.db2.gz OEPKVZWLXDZGPW-AWEZNQCLSA-N -1 0 375.421 2.576 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000002150602 570972650 /nfs/dbraw/zinc/97/26/50/570972650.db2.gz YSRBTLZFGKPIHV-GDKCJGSASA-N -1 0 375.421 2.793 50 0 GFAARM CCC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000003147867 654439275 /nfs/dbraw/zinc/43/92/75/654439275.db2.gz UDNQRDMPKDAWOE-NSHDSACASA-N -1 0 398.699 2.894 50 0 GFAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)cc1 ZINC000012772302 654502035 /nfs/dbraw/zinc/50/20/35/654502035.db2.gz SZGPYENAFSRKDB-ZZXKWVIFSA-N -1 0 381.793 2.967 50 0 GFAARM Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)s1 ZINC000185017025 655361866 /nfs/dbraw/zinc/36/18/66/655361866.db2.gz KUVGVHYTJZDDIJ-UHFFFAOYSA-N -1 0 388.898 2.941 50 0 GFAARM CS[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000888093309 663178083 /nfs/dbraw/zinc/17/80/83/663178083.db2.gz XEYOIIRPKPVZRA-LBPRGKRZSA-N -1 0 380.495 2.584 50 0 GFAARM Cc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)o1 ZINC000017121653 210205185 /nfs/dbraw/zinc/20/51/85/210205185.db2.gz WNWLFAHYKYDPSC-COPLHBTASA-N -1 0 390.408 2.918 50 0 GFAARM O=C([O-])Cn1ccc(NC(=O)OC(c2ccccc2)c2ccccc2)nc1=O ZINC000016696939 210195144 /nfs/dbraw/zinc/19/51/44/210195144.db2.gz VPWKJWIKZUONJA-UHFFFAOYSA-N -1 0 379.372 2.666 50 0 GFAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000014291507 210114022 /nfs/dbraw/zinc/11/40/22/210114022.db2.gz BWDMPAOAQBIBQO-UHFFFAOYSA-N -1 0 394.880 2.754 50 0 GFAARM Cc1cc(C)c(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)c(C)c1 ZINC000013090206 210049270 /nfs/dbraw/zinc/04/92/70/210049270.db2.gz KXEOMNOYRWGXDU-UHFFFAOYSA-N -1 0 377.418 2.882 50 0 GFAARM Cn1nc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Oc3ccccc3)c2)ccc1=O ZINC000009550320 209833687 /nfs/dbraw/zinc/83/36/87/209833687.db2.gz PISDQBORWMVVHY-GOSISDBHSA-N -1 0 393.399 2.518 50 0 GFAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000004856567 209534333 /nfs/dbraw/zinc/53/43/33/209534333.db2.gz WVWJWOYKWNYLPT-LBPRGKRZSA-N -1 0 380.784 2.997 50 0 GFAARM CCn1cc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3Cl)c2)c(C)n1 ZINC000002793275 209384808 /nfs/dbraw/zinc/38/48/08/209384808.db2.gz SQYALCLCOXYJHJ-UHFFFAOYSA-N -1 0 379.873 2.910 50 0 GFAARM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002433230 209364339 /nfs/dbraw/zinc/36/43/39/209364339.db2.gz ZXDGKJVGKVGXGC-SJKOYZFVSA-N -1 0 387.432 2.809 50 0 GFAARM O=C([O-])/C=C/C(=O)N1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000002442634 209364031 /nfs/dbraw/zinc/36/40/31/209364031.db2.gz GVMVPIUKYHTXPE-ZHACJKMWSA-N -1 0 388.427 2.586 50 0 GFAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)CCc1nc2ccccc2s1 ZINC000002625233 209372753 /nfs/dbraw/zinc/37/27/53/209372753.db2.gz SPSXWZIALXPSFM-UHFFFAOYSA-N -1 0 398.440 2.737 50 0 GFAARM CC(C)C[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002106991 209347233 /nfs/dbraw/zinc/34/72/33/209347233.db2.gz BECHYHJRWRRZLV-KRWDZBQOSA-N -1 0 387.432 2.666 50 0 GFAARM CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002098416 209346603 /nfs/dbraw/zinc/34/66/03/209346603.db2.gz LQECMMNXGMMWGH-SGTLLEGYSA-N -1 0 387.432 2.665 50 0 GFAARM CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002096345 209346217 /nfs/dbraw/zinc/34/62/17/209346217.db2.gz NAHCUSJLJQVSLG-PXAZEXFGSA-N -1 0 387.432 2.665 50 0 GFAARM CCCC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000002097892 209346043 /nfs/dbraw/zinc/34/60/43/209346043.db2.gz YOLYINFGKPLKAG-MRXNPFEDSA-N -1 0 375.421 2.802 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@H]2CCN3CCCc4cccc2c43)cc1 ZINC000001741908 209337453 /nfs/dbraw/zinc/33/74/53/209337453.db2.gz DBFBSNOYZFRDFV-SFHVURJKSA-N -1 0 385.489 2.881 50 0 GFAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000640040 209253622 /nfs/dbraw/zinc/25/36/22/209253622.db2.gz XTCGHODADVWNMJ-CYBMUJFWSA-N -1 0 389.477 2.974 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1C ZINC000013094186 209164016 /nfs/dbraw/zinc/16/40/16/209164016.db2.gz MNBJTXIHPRBZJI-UHFFFAOYSA-N -1 0 394.518 2.570 50 0 GFAARM COc1ccc([C@@H](NC(=O)Nc2ccc(OC)c(OC)c2)C(=O)[O-])c(OC)c1 ZINC000225486894 211900969 /nfs/dbraw/zinc/90/09/69/211900969.db2.gz RYKYNTYYLVZTMP-QGZVFWFLSA-N -1 0 390.392 2.668 50 0 GFAARM CCOC(=O)C1CCN([C@@H](c2ccco2)c2sc3nc(C)nn3c2[O-])CC1 ZINC000023158068 211789035 /nfs/dbraw/zinc/78/90/35/211789035.db2.gz JDFWIFGKKQADOX-AWEZNQCLSA-N -1 0 390.465 2.762 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1)C(=O)[O-] ZINC000013541537 211700158 /nfs/dbraw/zinc/70/01/58/211700158.db2.gz HNUPIHOETWAZJL-QAVIERHMSA-N -1 0 399.491 2.818 50 0 GFAARM O=C(NCc1cccs1)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012627999 211686287 /nfs/dbraw/zinc/68/62/87/211686287.db2.gz SLBWXFHQZCMTFU-UHFFFAOYSA-N -1 0 379.488 2.935 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002146537 211512968 /nfs/dbraw/zinc/51/29/68/211512968.db2.gz MIKWOQPDLWFLKK-BTDLBPIBSA-N -1 0 375.421 2.713 50 0 GFAARM CCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238937389 211479453 /nfs/dbraw/zinc/47/94/53/211479453.db2.gz VAINHEDGSJOOKU-CTYIDZIISA-N -1 0 387.432 2.741 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1 ZINC000101260807 211397079 /nfs/dbraw/zinc/39/70/79/211397079.db2.gz WDQZGRMUVKQWMB-ZWKOTPCHSA-N -1 0 380.404 2.818 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(C)c4)c=3c2=O)c1 ZINC000101260828 211396629 /nfs/dbraw/zinc/39/66/29/211396629.db2.gz PSHHJFGMIIAYME-QZTJIDSGSA-N -1 0 380.404 2.818 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100563690 211388616 /nfs/dbraw/zinc/38/86/16/211388616.db2.gz HSVKCNAZNOMLDI-NVXWUHKLSA-N -1 0 397.818 2.637 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)c(Cl)c1 ZINC000100033026 211382381 /nfs/dbraw/zinc/38/23/81/211382381.db2.gz IOZKNBMWIVVUEK-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM COc1ccc(C(=O)N2CCC(C(=O)NC[C@H](C)C(=O)[O-])CC2)c2ccccc12 ZINC000097018696 211355620 /nfs/dbraw/zinc/35/56/20/211355620.db2.gz DIBLIHPVVOAIIP-AWEZNQCLSA-N -1 0 398.459 2.538 50 0 GFAARM Cc1cc(COc2ccccc2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1C(=O)[O-] ZINC000096130350 211304746 /nfs/dbraw/zinc/30/47/46/211304746.db2.gz WARHVWVKCUDVHG-KRWDZBQOSA-N -1 0 381.388 2.714 50 0 GFAARM O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1cc(F)c(Cl)cc1F ZINC000095979095 211290216 /nfs/dbraw/zinc/29/02/16/211290216.db2.gz AZARZAHJDVBGGU-UHFFFAOYSA-N -1 0 392.836 2.713 50 0 GFAARM CC(C)n1nc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c2ccccc2c1=O ZINC000095969912 211289474 /nfs/dbraw/zinc/28/94/74/211289474.db2.gz NBNFUMURPXYVHK-SFHVURJKSA-N -1 0 391.427 2.629 50 0 GFAARM O=C([O-])COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)c2ccccc12 ZINC000095463906 211243640 /nfs/dbraw/zinc/24/36/40/211243640.db2.gz OLGGELCUZGCMCB-UHFFFAOYSA-N -1 0 392.367 2.886 50 0 GFAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)cc1 ZINC000095359264 211223475 /nfs/dbraw/zinc/22/34/75/211223475.db2.gz IEYZPPXSSUHISF-QGZVFWFLSA-N -1 0 378.432 2.926 50 0 GFAARM CCc1c(C)cc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(=O)n1C ZINC000095380227 211232140 /nfs/dbraw/zinc/23/21/40/211232140.db2.gz LKOSNCVIIKEFFI-KRWDZBQOSA-N -1 0 382.460 2.974 50 0 GFAARM CCn1c(C)cc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)c1C ZINC000095379255 211231080 /nfs/dbraw/zinc/23/10/80/211231080.db2.gz RTCLIAKKGDSXDY-HTAPYJJXSA-N -1 0 382.460 2.903 50 0 GFAARM O=C([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1F ZINC000089841040 211186048 /nfs/dbraw/zinc/18/60/48/211186048.db2.gz XVGFTRRGTXBCGS-UHFFFAOYSA-N -1 0 393.827 2.843 50 0 GFAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)OC(C)C)CC3)s1 ZINC000077453286 211134281 /nfs/dbraw/zinc/13/42/81/211134281.db2.gz PQIGEHCEPJXALB-UHFFFAOYSA-N -1 0 396.494 2.550 50 0 GFAARM Cc1ccc(C(=O)N2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)c(C)c1 ZINC000072419120 211115823 /nfs/dbraw/zinc/11/58/23/211115823.db2.gz WVXXYTHWGGFWJO-GOSISDBHSA-N -1 0 384.476 2.621 50 0 GFAARM Cc1cc(C)n2nc(C(=O)N3CC[C@@H](Cc4ccc(C(=O)[O-])cc4)C3)cc2n1 ZINC000072432263 211118271 /nfs/dbraw/zinc/11/82/71/211118271.db2.gz MVOGJHRBDVITOO-INIZCTEOSA-N -1 0 378.432 2.749 50 0 GFAARM COCc1[nH]nc(NC(=O)c2nccnc2C(=O)[O-])c1-c1ccc(Cl)cc1 ZINC000072400484 211112253 /nfs/dbraw/zinc/11/22/53/211112253.db2.gz MQINAUVWSQCEJX-UHFFFAOYSA-N -1 0 387.783 2.617 50 0 GFAARM COc1cccc(CN(C)C(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)c1 ZINC000072274535 211083448 /nfs/dbraw/zinc/08/34/48/211083448.db2.gz WMDXQUGWQZAMFR-UHFFFAOYSA-N -1 0 392.459 2.740 50 0 GFAARM CC(C)Cn1nc(C(=O)[O-])c2c1CCN(C(=O)Cc1ccc(O)c(Cl)c1)C2 ZINC000067956246 211030523 /nfs/dbraw/zinc/03/05/23/211030523.db2.gz ZSTAQEWBHCNLTA-UHFFFAOYSA-N -1 0 391.855 2.724 50 0 GFAARM COc1ccc(CCn2c3nnc([S-])n3c3ccsc3c2=O)cc1OC ZINC000067349556 211008748 /nfs/dbraw/zinc/00/87/48/211008748.db2.gz JHJLKQDVVNFDFC-UHFFFAOYSA-N -1 0 388.474 2.654 50 0 GFAARM Cc1ccsc1C(=O)N1CCc2c(c(C(=O)[O-])nn2Cc2ccncc2)C1 ZINC000067650546 211015359 /nfs/dbraw/zinc/01/53/59/211015359.db2.gz VJVAORVPJCMYRV-UHFFFAOYSA-N -1 0 382.445 2.593 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000299753944 210836443 /nfs/dbraw/zinc/83/64/43/210836443.db2.gz ZYCIBRWLEDWYJE-UBHSHLNASA-N -1 0 378.860 2.588 50 0 GFAARM O=C([O-])[C@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)Cc1ccccc1 ZINC000299750549 210835234 /nfs/dbraw/zinc/83/52/34/210835234.db2.gz NUTOOCRXPFQZPG-HNNXBMFYSA-N -1 0 384.407 2.626 50 0 GFAARM CS(=O)(=O)[N-]c1ccsc1C(=O)NCc1ccccc1OC(F)F ZINC000040135217 210777450 /nfs/dbraw/zinc/77/74/50/210777450.db2.gz LAATXOHHXUDINK-UHFFFAOYSA-N -1 0 376.406 2.651 50 0 GFAARM CCOC(=O)c1c(CC)[nH]nc1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000033256066 210632730 /nfs/dbraw/zinc/63/27/30/210632730.db2.gz WGDZBZMYNKAJKP-UHFFFAOYSA-N -1 0 387.845 2.612 50 0 GFAARM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000020722818 210357101 /nfs/dbraw/zinc/35/71/01/210357101.db2.gz QJVABMADZQATDM-AWEZNQCLSA-N -1 0 381.226 2.853 50 0 GFAARM COc1ccc(-n2c(=O)[n-]c(=S)cc(-c3ccc4c(c3)OCO4)c2=O)cc1 ZINC000008782864 221058489 /nfs/dbraw/zinc/05/84/89/221058489.db2.gz BSALWWPWMXLMRG-UHFFFAOYSA-N -1 0 382.397 2.660 50 0 GFAARM Cc1cc(N2CCC(N(C)C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)nc(C)n1 ZINC000237288127 136192291 /nfs/dbraw/zinc/19/22/91/136192291.db2.gz ZBRZGSXMENIBHE-UHFFFAOYSA-N -1 0 396.491 2.852 50 0 GFAARM CCCOc1c(Br)cc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000269216548 520290738 /nfs/dbraw/zinc/29/07/38/520290738.db2.gz YJDPQJCGZHMLRV-JTQLQIEISA-N -1 0 386.242 2.793 50 0 GFAARM C[C@H]1Sc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])cc2NC1=O ZINC000268941790 525076744 /nfs/dbraw/zinc/07/67/44/525076744.db2.gz KGZUSBNZMWLPRH-BZNIZROVSA-N -1 0 382.441 2.771 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C1 ZINC000262493613 526322735 /nfs/dbraw/zinc/32/27/35/526322735.db2.gz XADAODQYMITSKY-KRWDZBQOSA-N -1 0 387.457 2.597 50 0 GFAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1)N1CC1 ZINC000006437345 551099082 /nfs/dbraw/zinc/09/90/82/551099082.db2.gz OYUHGUNPGZKVRW-UHFFFAOYSA-N -1 0 381.251 2.706 50 0 GFAARM COCc1nc(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cs1 ZINC000065041749 551185398 /nfs/dbraw/zinc/18/53/98/551185398.db2.gz JDCMRWUHXWFFQN-UHFFFAOYSA-N -1 0 381.262 2.715 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)s2)c(OC)c1 ZINC000064919906 551185418 /nfs/dbraw/zinc/18/54/18/551185418.db2.gz NUPYDSKXKJVXOC-UHFFFAOYSA-N -1 0 381.435 2.925 50 0 GFAARM Cc1cc2ncc(C(=O)N(Cc3ccsc3)Cc3cccnc3)c(=O)n2[n-]1 ZINC000102427211 570256608 /nfs/dbraw/zinc/25/66/08/570256608.db2.gz FNASIKZKOWXAAV-UHFFFAOYSA-N -1 0 379.445 2.630 50 0 GFAARM CC(C)c1noc2ncc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)cc21 ZINC000014372484 570309596 /nfs/dbraw/zinc/30/95/96/570309596.db2.gz SVKNHZLGWQIWGC-UHFFFAOYSA-N -1 0 383.433 2.916 50 0 GFAARM COc1ccccc1CNC(=O)c1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000012323086 570313950 /nfs/dbraw/zinc/31/39/50/570313950.db2.gz CGIDKNGOIIHKBP-UHFFFAOYSA-N -1 0 391.474 2.606 50 0 GFAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000003175690 570331482 /nfs/dbraw/zinc/33/14/82/570331482.db2.gz HHAQCLORXUAUPG-UHFFFAOYSA-N -1 0 375.450 2.727 50 0 GFAARM C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000024435631 570383457 /nfs/dbraw/zinc/38/34/57/570383457.db2.gz LOXQNPGNAVUBPY-KBPBESRZSA-N -1 0 392.452 2.876 50 0 GFAARM C[C@@H]1CN(Cc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000237628718 570385139 /nfs/dbraw/zinc/38/51/39/570385139.db2.gz SBLKRDVGJWVIPQ-LLGFUMIMSA-N -1 0 396.487 2.722 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000004763714 570404404 /nfs/dbraw/zinc/40/44/04/570404404.db2.gz GTXSTEDIVHHJQL-BPUTZDHNSA-N -1 0 396.509 2.650 50 0 GFAARM CC(C)(C)OC(=O)N[C@@H](CSCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004899646 570416366 /nfs/dbraw/zinc/41/63/66/570416366.db2.gz WOISIWBKIILOSH-AWEZNQCLSA-N -1 0 398.481 2.624 50 0 GFAARM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004899721 570416545 /nfs/dbraw/zinc/41/65/45/570416545.db2.gz YINDOSYVRZADBY-IBGZPJMESA-N -1 0 394.427 2.601 50 0 GFAARM O=C([O-])c1ccc(CCC(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)cc1 ZINC000191647743 570421241 /nfs/dbraw/zinc/42/12/41/570421241.db2.gz FPLACMDAQPBDSS-GOSISDBHSA-N -1 0 386.835 2.671 50 0 GFAARM COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000005135047 570424223 /nfs/dbraw/zinc/42/42/23/570424223.db2.gz ILYLCLQEFKBMBW-UHFFFAOYSA-N -1 0 377.418 2.600 50 0 GFAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000238108565 570425307 /nfs/dbraw/zinc/42/53/07/570425307.db2.gz KHASCCADGYAPJG-GFCCVEGCSA-N -1 0 377.828 2.826 50 0 GFAARM O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238899370 570427448 /nfs/dbraw/zinc/42/74/48/570427448.db2.gz GAMHDIDFJYINEW-HDJSIYSDSA-N -1 0 399.443 2.668 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000238209600 570427557 /nfs/dbraw/zinc/42/75/57/570427557.db2.gz SRZVEVGRLPUBAK-RTBURBONSA-N -1 0 382.391 2.733 50 0 GFAARM O=C([O-])C1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 ZINC000268907623 570460048 /nfs/dbraw/zinc/46/00/48/570460048.db2.gz DOUGEMKEMWPWRO-UHFFFAOYSA-N -1 0 387.457 2.597 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCC2)c1C ZINC000237896489 570462678 /nfs/dbraw/zinc/46/26/78/570462678.db2.gz KGZMIRNDEBVBDA-MRXNPFEDSA-N -1 0 392.477 2.710 50 0 GFAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccnc2)c1 ZINC000133959912 570468440 /nfs/dbraw/zinc/46/84/40/570468440.db2.gz MRRBWDZMAUFKGK-KGLIPLIRSA-N -1 0 378.837 2.546 50 0 GFAARM Cc1nc(C)c(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)s1 ZINC000177088982 570519023 /nfs/dbraw/zinc/51/90/23/570519023.db2.gz KZNYSBPOELHDNM-UHFFFAOYSA-N -1 0 383.886 2.854 50 0 GFAARM COCCn1c(=O)c2ccc(C(=O)N3CCc4ccccc4C3)cc2[n-]c1=S ZINC000002969753 570523553 /nfs/dbraw/zinc/52/35/53/570523553.db2.gz NZDQVNPKECPDSI-UHFFFAOYSA-N -1 0 395.484 2.530 50 0 GFAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1Cl ZINC000006788813 570595342 /nfs/dbraw/zinc/59/53/42/570595342.db2.gz PWVRZLKCTXSGPM-UHFFFAOYSA-N -1 0 382.825 2.653 50 0 GFAARM CC(C)(C)n1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(-c2ccc(F)cc2F)n1 ZINC000236775615 570677977 /nfs/dbraw/zinc/67/79/77/570677977.db2.gz FDZVCVJWUDMGHR-OAHLLOKOSA-N -1 0 393.390 2.509 50 0 GFAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC000006887611 570682131 /nfs/dbraw/zinc/68/21/31/570682131.db2.gz OVVHJAZYITYVJO-UHFFFAOYSA-N -1 0 380.466 2.936 50 0 GFAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1 ZINC000065196086 570728296 /nfs/dbraw/zinc/72/82/96/570728296.db2.gz GFTVVBBJUQDYII-UHFFFAOYSA-N -1 0 378.475 2.656 50 0 GFAARM O=C(C1CC1)N1CCc2sc(S(=O)(=O)[N-]c3cccc(F)c3)cc2C1 ZINC000065196218 570728387 /nfs/dbraw/zinc/72/83/87/570728387.db2.gz GEOPMLSQGCPRIN-UHFFFAOYSA-N -1 0 380.466 2.983 50 0 GFAARM C[C@H](NC(=O)c1c([O-])c2cnn(Cc3ccccc3)c2[nH]c1=O)c1ccccc1 ZINC000065249886 570748462 /nfs/dbraw/zinc/74/84/62/570748462.db2.gz BWLJEQLNJJGKLN-AWEZNQCLSA-N -1 0 388.427 2.970 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(C[C@@H]3COc4ccccc4O3)c2)s1 ZINC000206846967 570755758 /nfs/dbraw/zinc/75/57/58/570755758.db2.gz RVUDAKLCRIXJLI-CQSZACIVSA-N -1 0 391.474 2.894 50 0 GFAARM CCOC(=O)c1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000004651240 570806621 /nfs/dbraw/zinc/80/66/21/570806621.db2.gz MPIOXIQSKMNYNE-HOTGVXAUSA-N -1 0 389.404 2.646 50 0 GFAARM CCOC(=O)[C@](NC(=O)CC)(Nc1nc2c(s1)CCCC2)C(F)(F)F ZINC000005950702 570808156 /nfs/dbraw/zinc/80/81/56/570808156.db2.gz OQUWJEFZWZDTLK-AWEZNQCLSA-N -1 0 379.404 2.782 50 0 GFAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)NC4CCCCC4)c3=O)c2c1 ZINC000101497616 570825655 /nfs/dbraw/zinc/82/56/55/570825655.db2.gz ABZXYNMLALFERL-UHFFFAOYSA-N -1 0 386.477 2.998 50 0 GFAARM COc1ccc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000299752803 570829518 /nfs/dbraw/zinc/82/95/18/570829518.db2.gz VMOLANSPNMSJQR-GOSISDBHSA-N -1 0 396.443 2.509 50 0 GFAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000013278732 570838747 /nfs/dbraw/zinc/83/87/47/570838747.db2.gz NUIPNPTWJJIDQU-UHFFFAOYSA-N -1 0 383.809 2.919 50 0 GFAARM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1csc(Cc2ccc(F)cc2)n1 ZINC000170620488 570878216 /nfs/dbraw/zinc/87/82/16/570878216.db2.gz NGMOKHAFRRMIBA-AWEZNQCLSA-N -1 0 398.481 2.502 50 0 GFAARM CCn1c(=O)c2ccc(C(=O)NCCc3cc(F)cc(F)c3)cc2[n-]c1=S ZINC000103469635 570885294 /nfs/dbraw/zinc/88/52/94/570885294.db2.gz MCGBXRHVLWDENC-UHFFFAOYSA-N -1 0 389.427 2.956 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)NN=c2ccc(C(F)(F)F)c[nH]2)ccc1Cl ZINC000012608520 570889523 /nfs/dbraw/zinc/88/95/23/570889523.db2.gz IJOORCSVLBQVHN-UHFFFAOYSA-N -1 0 395.746 2.757 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000170638297 570939539 /nfs/dbraw/zinc/93/95/39/570939539.db2.gz SNQODTZDJFBIFN-STQMWFEESA-N -1 0 386.351 2.589 50 0 GFAARM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000001295777 570956163 /nfs/dbraw/zinc/95/61/63/570956163.db2.gz BPVKQRQJQSDSDR-XJKCOSOUSA-N -1 0 399.756 2.839 50 0 GFAARM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C)c1 ZINC000012734459 570977344 /nfs/dbraw/zinc/97/73/44/570977344.db2.gz HBVUEQPTNPLPNW-UHFFFAOYSA-N -1 0 377.418 2.897 50 0 GFAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000585094025 655511955 /nfs/dbraw/zinc/51/19/55/655511955.db2.gz OQQYRDKNHBIINU-LSDHHAIUSA-N -1 0 395.278 2.761 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCCCc3ccco3)cc2s1 ZINC000013692159 210081385 /nfs/dbraw/zinc/08/13/85/210081385.db2.gz CGJJFRILAMEILO-UHFFFAOYSA-N -1 0 379.463 2.623 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000013555600 210067554 /nfs/dbraw/zinc/06/75/54/210067554.db2.gz HDXIWDLBQWZULX-JQFCIGGWSA-N -1 0 390.480 2.964 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 ZINC000013427564 210060571 /nfs/dbraw/zinc/06/05/71/210060571.db2.gz IXMSUSZGWRURMA-QGZVFWFLSA-N -1 0 382.420 2.967 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)OC)c1 ZINC000012943785 210034610 /nfs/dbraw/zinc/03/46/10/210034610.db2.gz ITJOCAKUBFJCSW-UHFFFAOYSA-N -1 0 389.838 2.776 50 0 GFAARM O=C([O-])COc1ccc(C(=O)OCC(=O)c2cccc(Br)c2)cc1 ZINC000006940663 209709868 /nfs/dbraw/zinc/70/98/68/209709868.db2.gz ONIKGXWITBTGCU-UHFFFAOYSA-N -1 0 393.189 2.952 50 0 GFAARM CCC(NCCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000005625190 209606859 /nfs/dbraw/zinc/60/68/59/209606859.db2.gz WZVZNXYCVMXPHM-VHEBQXMUSA-N -1 0 393.443 2.774 50 0 GFAARM O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O ZINC000004455770 209487688 /nfs/dbraw/zinc/48/76/88/209487688.db2.gz KVLFEZSMBHKJHH-UHFFFAOYSA-N -1 0 387.351 2.833 50 0 GFAARM Cc1nn(C[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2O)c(C)c1Br ZINC000002794810 209384884 /nfs/dbraw/zinc/38/48/84/209384884.db2.gz VOIYPLMQNVLASY-QMMMGPOBSA-N -1 0 396.241 2.941 50 0 GFAARM CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCC(=O)[O-])C1=O ZINC000002844132 209389974 /nfs/dbraw/zinc/38/99/74/209389974.db2.gz LCXRVHWWKMILHV-WDZFZDKYSA-N -1 0 386.223 2.969 50 0 GFAARM O=C([O-])CN1CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O ZINC000002545947 209369734 /nfs/dbraw/zinc/36/97/34/209369734.db2.gz WGBORFZFCVWACO-IBGZPJMESA-N -1 0 394.427 2.601 50 0 GFAARM CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ncn2)cc1 ZINC000002471497 209366837 /nfs/dbraw/zinc/36/68/37/209366837.db2.gz FCJKYEYPAVQVML-UHFFFAOYSA-N -1 0 378.454 2.805 50 0 GFAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccn(C(F)F)n1)CCCC3 ZINC000002778789 209383931 /nfs/dbraw/zinc/38/39/31/209383931.db2.gz BEVVMZMMRPIUGV-UHFFFAOYSA-N -1 0 379.392 2.621 50 0 GFAARM CCn1cc(Cl)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCC4)n1 ZINC000002780564 209383220 /nfs/dbraw/zinc/38/32/20/209383220.db2.gz PBECIHVCZYDXHO-UHFFFAOYSA-N -1 0 391.884 2.899 50 0 GFAARM CCCC[C@H](NC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002121328 209347217 /nfs/dbraw/zinc/34/72/17/209347217.db2.gz FTGIVXSPVFBEPW-HNNXBMFYSA-N -1 0 387.432 2.729 50 0 GFAARM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002094594 209345964 /nfs/dbraw/zinc/34/59/64/209345964.db2.gz URZDPNCTZDVGKL-YVEFUNNKSA-N -1 0 387.432 2.809 50 0 GFAARM CCc1ccc(-n2c(=O)[nH]c([O-])c(Cc3ccc(OC)c(OC)c3)c2=O)cc1 ZINC000001067811 209294868 /nfs/dbraw/zinc/29/48/68/209294868.db2.gz CLCFTJMOSFZBJZ-MRXNPFEDSA-N -1 0 382.416 2.708 50 0 GFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1 ZINC000000892643 209277877 /nfs/dbraw/zinc/27/78/77/209277877.db2.gz RALKQNKQXMQZOB-UHFFFAOYSA-N -1 0 398.444 2.603 50 0 GFAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000136463134 212075093 /nfs/dbraw/zinc/07/50/93/212075093.db2.gz IWDKEMYAYBGFKY-CQSZACIVSA-N -1 0 378.226 2.714 50 0 GFAARM Cc1oc(-c2cccc(C)c2)nc1CN1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC000095367112 212067575 /nfs/dbraw/zinc/06/75/75/212067575.db2.gz UFAMREVZCVPWDU-INIZCTEOSA-N -1 0 383.448 2.514 50 0 GFAARM COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc2c1OCCO2 ZINC000013257751 209164132 /nfs/dbraw/zinc/16/41/32/209164132.db2.gz MIVPUKFUPLFFFO-AWEZNQCLSA-N -1 0 375.352 2.551 50 0 GFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004029167 211528154 /nfs/dbraw/zinc/52/81/54/211528154.db2.gz GMUYSWQSSRROPG-RBUKOAKNSA-N -1 0 396.443 2.600 50 0 biogenic,in-vitro GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000101387098 211397940 /nfs/dbraw/zinc/39/79/40/211397940.db2.gz WVJALADLVGMNOZ-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM COc1ccc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1OC ZINC000101260758 211397141 /nfs/dbraw/zinc/39/71/41/211397141.db2.gz HAAMMCZJCZLDNF-ZWKOTPCHSA-N -1 0 380.404 2.818 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1C ZINC000101169338 211396226 /nfs/dbraw/zinc/39/62/26/211396226.db2.gz RCENVAMDHBFNCK-RBUKOAKNSA-N -1 0 391.431 2.544 50 0 GFAARM CCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(OC)c(OC)c2)c1=O ZINC000100621146 211388257 /nfs/dbraw/zinc/38/82/57/211388257.db2.gz IFENLWAGBXJDGQ-UHFFFAOYSA-N -1 0 382.416 2.674 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1 ZINC000100033404 211382568 /nfs/dbraw/zinc/38/25/68/211382568.db2.gz VVVXZNLHLIXOLA-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc[nH]n3)oc2C)cc1 ZINC000096386721 211337742 /nfs/dbraw/zinc/33/77/42/211337742.db2.gz IBDQIQSVTKBRHR-UHFFFAOYSA-N -1 0 375.406 2.956 50 0 GFAARM Cc1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1O[C@H](C)C(=O)[O-] ZINC000095991850 211292814 /nfs/dbraw/zinc/29/28/14/211292814.db2.gz DIQCRPLPJLGUKJ-CYBMUJFWSA-N -1 0 396.403 2.863 50 0 GFAARM CC[C@](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000095970009 211289813 /nfs/dbraw/zinc/28/98/13/211289813.db2.gz RPWOHMPOOLBEHG-GOSISDBHSA-N -1 0 395.864 2.863 50 0 GFAARM COc1ccc(-c2nc(C(=O)N3CCSC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000095970124 211289727 /nfs/dbraw/zinc/28/97/27/211289727.db2.gz NKQXIJNVIIHUJE-LBPRGKRZSA-N -1 0 378.475 2.851 50 0 GFAARM CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000095424978 211238932 /nfs/dbraw/zinc/23/89/32/211238932.db2.gz MKORJBMVBJHVNJ-QGZVFWFLSA-N -1 0 386.473 2.804 50 0 GFAARM COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(C(=O)Cc3ccc(F)c(C)c3)C[C@H]21 ZINC000095382121 211232802 /nfs/dbraw/zinc/23/28/02/211232802.db2.gz QOFLIHCSBMOGNA-VGOFRKELSA-N -1 0 399.418 2.775 50 0 GFAARM CC(C)Nc1ncc(CN2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)cn1 ZINC000082098338 211160340 /nfs/dbraw/zinc/16/03/40/211160340.db2.gz ZKSGSGVAHVOXME-UHFFFAOYSA-N -1 0 388.443 2.934 50 0 GFAARM Cn1c2ccccc2nc1-c1ccc(CN2CCc3nc[nH]c3[C@H]2C(=O)[O-])o1 ZINC000072458306 211122759 /nfs/dbraw/zinc/12/27/59/211122759.db2.gz UHTCBAGHIKXXCE-SFHVURJKSA-N -1 0 377.404 2.740 50 0 GFAARM O=C([O-])c1cc(-c2ccc3[nH]ccc3c2)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000071551645 211048341 /nfs/dbraw/zinc/04/83/41/211048341.db2.gz AMEYKJDLBNYSKQ-UHFFFAOYSA-N -1 0 386.429 2.554 50 0 GFAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000071285004 211044097 /nfs/dbraw/zinc/04/40/97/211044097.db2.gz UBEQVWLHMHSCLX-UHFFFAOYSA-N -1 0 382.416 2.567 50 0 GFAARM CN(C(=O)c1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1)c1ccccc1 ZINC000071288865 211043976 /nfs/dbraw/zinc/04/39/76/211043976.db2.gz UEUPTXJTPQBCLW-UHFFFAOYSA-N -1 0 376.372 2.704 50 0 GFAARM CC1(C)[C@H](C(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)[C@@H]1C(=O)[O-] ZINC000071285360 211043737 /nfs/dbraw/zinc/04/37/37/211043737.db2.gz UAEZIAPMEXQAKZ-DLBZAZTESA-N -1 0 379.416 2.580 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(-c2nnc(-c3ccncc3)[nH]2)cc1 ZINC000071286633 211043529 /nfs/dbraw/zinc/04/35/29/211043529.db2.gz KALWYJUPRPMCSS-CABCVRRESA-N -1 0 377.404 2.829 50 0 GFAARM CC(=O)Nc1nc(-c2cccc(NC(=O)c3nccnc3C(=O)[O-])c2)cs1 ZINC000071279666 211042893 /nfs/dbraw/zinc/04/28/93/211042893.db2.gz VWWCWGNIDODHBY-UHFFFAOYSA-N -1 0 383.389 2.509 50 0 GFAARM Cc1n[nH]c(C)c1[C@H](NC(=O)CSC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000067851671 211025190 /nfs/dbraw/zinc/02/51/90/211025190.db2.gz NMJVEAQXZVMTFU-AFRKLYKTSA-N -1 0 377.510 2.970 50 0 GFAARM O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)c1cccc3cnccc31)CC2 ZINC000067757337 211020706 /nfs/dbraw/zinc/02/07/06/211020706.db2.gz GSPSRXYXEBPSFP-UHFFFAOYSA-N -1 0 376.416 2.738 50 0 GFAARM O=C([O-])c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1ccccn1)CC2 ZINC000067675382 211014211 /nfs/dbraw/zinc/01/42/11/211014211.db2.gz GIIYTALWQMNSFG-UHFFFAOYSA-N -1 0 390.443 2.808 50 0 GFAARM COCCN(C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C1CC1 ZINC000040146800 210778519 /nfs/dbraw/zinc/77/85/19/210778519.db2.gz BRFMJNKIROZLSK-UHFFFAOYSA-N -1 0 380.491 2.800 50 0 GFAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)[nH]n2)cc1 ZINC000032950975 210606459 /nfs/dbraw/zinc/60/64/59/210606459.db2.gz HMDGYPKAJNPAPI-UHFFFAOYSA-N -1 0 386.433 2.862 50 0 GFAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2=O)s1 ZINC000020922095 210367747 /nfs/dbraw/zinc/36/77/47/210367747.db2.gz GCWROIJZRPXWBF-UHFFFAOYSA-N -1 0 387.845 2.966 50 0 GFAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000008745277 221054412 /nfs/dbraw/zinc/05/44/12/221054412.db2.gz BWUPXFNXJPQJHO-UHFFFAOYSA-N -1 0 388.445 2.631 50 0 GFAARM Cc1cc(S(=O)(=O)N2CCCc3cccc(F)c32)ccc1OCC(=O)[O-] ZINC000058377720 136155306 /nfs/dbraw/zinc/15/53/06/136155306.db2.gz MOAIZOWHSJDYCD-UHFFFAOYSA-N -1 0 379.409 2.739 50 0 GFAARM O=C([O-])c1ccnc(-c2ccnc(N3CCC(Nc4ccccn4)CC3)n2)c1 ZINC000072440720 136170503 /nfs/dbraw/zinc/17/05/03/136170503.db2.gz HWZABYSVXJCJCO-UHFFFAOYSA-N -1 0 376.420 2.713 50 0 GFAARM COc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000072063503 222204265 /nfs/dbraw/zinc/20/42/65/222204265.db2.gz PFKKPYAROBVBTO-UHFFFAOYSA-N -1 0 380.853 2.776 50 0 GFAARM CC(=O)N[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1c(F)cccc1F ZINC000236687336 519682908 /nfs/dbraw/zinc/68/29/08/519682908.db2.gz ZTHXNQCHVPWCOL-CJNGLKHVSA-N -1 0 382.407 2.636 50 0 GFAARM O=C([O-])C1CCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CC1 ZINC000269117830 527565973 /nfs/dbraw/zinc/56/59/73/527565973.db2.gz GGLVIZVJKGWMAX-UHFFFAOYSA-N -1 0 387.457 2.597 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)NCCc2ccccn2)c(Cl)cc1Cl ZINC000003261575 551092686 /nfs/dbraw/zinc/09/26/86/551092686.db2.gz VWLMPJFZEKUTJL-UHFFFAOYSA-N -1 0 375.233 2.608 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003886296 551094345 /nfs/dbraw/zinc/09/43/45/551094345.db2.gz IEFVFKOHASQYES-MRXNPFEDSA-N -1 0 378.837 2.796 50 0 GFAARM Cn1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)n1 ZINC000007813568 551102097 /nfs/dbraw/zinc/10/20/97/551102097.db2.gz QVTWDTHVNVDTJT-UHFFFAOYSA-N -1 0 395.076 2.746 50 0 GFAARM Cc1nc(-c2cccc(C(=O)[N-]S(=O)(=O)C[C@H]3CCCCO3)c2)cs1 ZINC000170645656 551636810 /nfs/dbraw/zinc/63/68/10/551636810.db2.gz IFEOARJZOFOWDE-OAHLLOKOSA-N -1 0 380.491 2.747 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCO1 ZINC000669494017 565690042 /nfs/dbraw/zinc/69/00/42/565690042.db2.gz BISVLYLADSXLDM-ZDUSSCGKSA-N -1 0 381.841 2.705 50 0 GFAARM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000015906348 570287451 /nfs/dbraw/zinc/28/74/51/570287451.db2.gz FVUGRJYVDVXNIE-XJKCOSOUSA-N -1 0 399.756 2.839 50 0 GFAARM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(Cc2cccs2)CC1 ZINC000236970536 570306683 /nfs/dbraw/zinc/30/66/83/570306683.db2.gz WZFHIYDOOVISDJ-UHFFFAOYSA-N -1 0 394.518 2.515 50 0 GFAARM O=C(c1csc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CCCC1 ZINC000035449068 570361172 /nfs/dbraw/zinc/36/11/72/570361172.db2.gz MXWJHRLHDJFPRE-UHFFFAOYSA-N -1 0 380.447 2.514 50 0 GFAARM CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)(C(=O)[O-])CC1 ZINC000004240742 570363850 /nfs/dbraw/zinc/36/38/50/570363850.db2.gz IHSWVSORYDACRV-UHFFFAOYSA-N -1 0 378.425 2.767 50 0 GFAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000004559279 570384564 /nfs/dbraw/zinc/38/45/64/570384564.db2.gz WKLJTSBXAWSUKP-DLBZAZTESA-N -1 0 394.493 2.691 50 0 GFAARM C[C@@H]1CN(Cc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000237628587 570385001 /nfs/dbraw/zinc/38/50/01/570385001.db2.gz HGGONKLSTKVCMH-YRNRMSPPSA-N -1 0 382.460 2.852 50 0 GFAARM CCc1nn2c(nc(C)c(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c2=O)s1 ZINC000006784631 570386261 /nfs/dbraw/zinc/38/62/61/570386261.db2.gz IVBZIRVCRLHFKI-UHFFFAOYSA-N -1 0 392.506 2.946 50 0 GFAARM Cc1c2c(cc(=O)n1Cc1ccccc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000213025652 570424390 /nfs/dbraw/zinc/42/43/90/570424390.db2.gz HGYSMOSMQOQULD-UHFFFAOYSA-O -1 0 389.460 2.701 50 0 GFAARM COC(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)N=C([O-])OC)cc1 ZINC000005145050 570426408 /nfs/dbraw/zinc/42/64/08/570426408.db2.gz PBYIIVAMOFEZOJ-UHFFFAOYSA-N -1 0 390.417 2.900 50 0 GFAARM Cc1c(I)cc(I)cc1C(=O)[O-] ZINC000005724459 570453684 /nfs/dbraw/zinc/45/36/84/570453684.db2.gz KGXDDJVMNGOJQB-UHFFFAOYSA-N -1 0 387.942 2.902 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(OC2CCC2)cc1Cl ZINC000136021859 570471742 /nfs/dbraw/zinc/47/17/42/570471742.db2.gz VRTQLWHBNFNRMF-UHFFFAOYSA-N -1 0 384.841 2.995 50 0 GFAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000006267359 570474786 /nfs/dbraw/zinc/47/47/86/570474786.db2.gz CPDQGPLRAMPDEC-ZDUSSCGKSA-N -1 0 390.461 2.787 50 0 GFAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000006579022 570483784 /nfs/dbraw/zinc/48/37/84/570483784.db2.gz CCWVZIHVOYIZPA-UHFFFAOYSA-N -1 0 395.458 2.783 50 0 GFAARM COc1ccc(-c2noc(CCC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000268950939 570490878 /nfs/dbraw/zinc/49/08/78/570490878.db2.gz TVNGXMRPJPMBQR-XIRDDKMYSA-N -1 0 399.447 2.922 50 0 GFAARM COc1ccc(C2(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCOCC2)cc1 ZINC000006624157 570508374 /nfs/dbraw/zinc/50/83/74/570508374.db2.gz KWNFHQNZAIVILS-KRWDZBQOSA-N -1 0 378.469 2.542 50 0 GFAARM CC1=C(c2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000032920054 570516290 /nfs/dbraw/zinc/51/62/90/570516290.db2.gz NEVKFKNDMCZCIC-UHFFFAOYSA-N -1 0 375.377 2.627 50 0 GFAARM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2)CC1 ZINC000033274880 570523664 /nfs/dbraw/zinc/52/36/64/570523664.db2.gz QLMZXIABBMWCRJ-UHFFFAOYSA-N -1 0 377.466 2.650 50 0 GFAARM CCc1nc2sc([C@@H](c3ccco3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854165 570556875 /nfs/dbraw/zinc/55/68/75/570556875.db2.gz LOKMBRNYDLBEAQ-CQSZACIVSA-N -1 0 390.465 2.580 50 0 GFAARM CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000004320454 570560331 /nfs/dbraw/zinc/56/03/31/570560331.db2.gz ZEXILWGYTJFLJQ-UHFFFAOYSA-N -1 0 390.461 2.976 50 0 GFAARM CC(=O)N[C@@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000236690008 570677043 /nfs/dbraw/zinc/67/70/43/570677043.db2.gz YLPJKYNZZUJIBR-VQTJNVASSA-N -1 0 380.444 2.600 50 0 GFAARM COc1cccc([C@@H]2CCN(C(=O)c3cccc(NCC(=O)[O-])c3)C2)c1OC ZINC000055183233 570686333 /nfs/dbraw/zinc/68/63/33/570686333.db2.gz JJZJUVHHVJNVRF-OAHLLOKOSA-N -1 0 384.432 2.830 50 0 GFAARM O=C([O-])c1ccc2c(c1)n(CCCCO)c(=O)n2Cc1c(F)cccc1F ZINC000055386483 570693967 /nfs/dbraw/zinc/69/39/67/570693967.db2.gz JMGLJHIQBZMMIV-UHFFFAOYSA-N -1 0 376.359 2.600 50 0 GFAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCN(C(=O)OCc2ccccc2)CC1 ZINC000012648497 570694795 /nfs/dbraw/zinc/69/47/95/570694795.db2.gz BGRHKAAVXJAPGP-UHFFFAOYSA-N -1 0 378.425 2.767 50 0 GFAARM Cc1oc(CNC(=O)[C@H]2CCCN2c2ncnc3sccc32)cc1C(=O)[O-] ZINC000262902301 570699700 /nfs/dbraw/zinc/69/97/00/570699700.db2.gz BPETVBPCOOJHRK-CQSZACIVSA-N -1 0 386.433 2.576 50 0 GFAARM CC(C)CNC(=O)COC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000006945191 570715827 /nfs/dbraw/zinc/71/58/27/570715827.db2.gz HMSBHMCTBLWDOT-UHFFFAOYSA-N -1 0 385.342 2.526 50 0 GFAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000097940940 570742954 /nfs/dbraw/zinc/74/29/54/570742954.db2.gz OFQVCRBUMQCMMV-UHFFFAOYSA-N -1 0 388.449 2.789 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1C(=O)[O-] ZINC000372021374 570766053 /nfs/dbraw/zinc/76/60/53/570766053.db2.gz IWBTVTILVRRKAN-HNNXBMFYSA-N -1 0 390.823 2.951 50 0 GFAARM C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](CC(=O)[O-])c2cccs2)C1=O ZINC000299744022 570824306 /nfs/dbraw/zinc/82/43/06/570824306.db2.gz NIRFWNHIUQTLBB-QWHCGFSZSA-N -1 0 388.445 2.584 50 0 GFAARM COc1ccc(O)c(C(=O)c2cnn(C(=O)Cn3cnc4ccccc43)c2)c1 ZINC000012534750 570835262 /nfs/dbraw/zinc/83/52/62/570835262.db2.gz AIKSRDYGVCXGOK-UHFFFAOYSA-N -1 0 376.372 2.518 50 0 GFAARM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCCc3cn4c(n3)SCC4)n2)cc1 ZINC000170597364 570855177 /nfs/dbraw/zinc/85/51/77/570855177.db2.gz GJLXIACWXCSCED-UHFFFAOYSA-N -1 0 397.504 2.976 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)N3CCCC3)cs2)cc1 ZINC000016848502 570914202 /nfs/dbraw/zinc/91/42/02/570914202.db2.gz MUJGGKAESCVUTF-UHFFFAOYSA-N -1 0 395.506 2.508 50 0 GFAARM Cc1noc(-c2csc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3)c2)c1C ZINC000044919407 570983615 /nfs/dbraw/zinc/98/36/15/570983615.db2.gz QDXWYJRJMUEBNH-UHFFFAOYSA-N -1 0 377.447 2.920 50 0 GFAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000007728418 571025640 /nfs/dbraw/zinc/02/56/40/571025640.db2.gz CSJGRNPBVXDFJQ-ZDUSSCGKSA-N -1 0 378.425 2.535 50 0 GFAARM CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263302314 598170720 /nfs/dbraw/zinc/17/07/20/598170720.db2.gz XAFRYDVKFGPXQO-JKOKRWQUSA-N -1 0 385.258 2.641 50 0 GFAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)[C@@H]1Cc3ccccc3O1)CC2 ZINC000277783911 599816417 /nfs/dbraw/zinc/81/64/17/599816417.db2.gz XUTZYLHUQNBLED-JXFKEZNVSA-N -1 0 397.427 2.608 50 0 GFAARM Cc1cc(C)n(Cc2ccc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)cc2)n1 ZINC000237659762 600488607 /nfs/dbraw/zinc/48/86/07/600488607.db2.gz HFOLNDGPMNKHFH-LJQANCHMSA-N -1 0 385.464 2.644 50 0 GFAARM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000236919831 601085991 /nfs/dbraw/zinc/08/59/91/601085991.db2.gz KJPMRWCWYFWKOU-CQSZACIVSA-N -1 0 386.370 2.648 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000040158011 654620912 /nfs/dbraw/zinc/62/09/12/654620912.db2.gz XMSJSLOERGTRFU-UHFFFAOYSA-N -1 0 381.460 2.854 50 0 GFAARM NC(=O)N[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1cccc(Oc2ccccc2)c1 ZINC000299743365 222782252 /nfs/dbraw/zinc/78/22/52/222782252.db2.gz NIHPNQRIIALQKP-YJBOKZPZSA-N -1 0 397.431 2.512 50 0 GFAARM O=C([O-])c1ccc(CCNC(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1 ZINC000299752587 222784457 /nfs/dbraw/zinc/78/44/57/222784457.db2.gz UQSSFCGCHVWEIP-UHFFFAOYSA-N -1 0 387.823 2.540 50 0 GFAARM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000299751329 222784218 /nfs/dbraw/zinc/78/42/18/222784218.db2.gz QKAVOYUUMMZFNS-LBPRGKRZSA-N -1 0 389.370 2.955 50 0 GFAARM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2c(F)cccc2F)c3=O)cc1C ZINC000010252048 212240300 /nfs/dbraw/zinc/24/03/00/212240300.db2.gz XGOAAJLABJKGKY-UHFFFAOYSA-N -1 0 395.369 2.861 50 0 GFAARM COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)[O-])cc1Cl ZINC000001050729 212210763 /nfs/dbraw/zinc/21/07/63/212210763.db2.gz FVSDFHKTRXNTNX-UHFFFAOYSA-N -1 0 383.853 2.667 50 0 GFAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC3CCC(C(=O)[O-])CC3)ccc12 ZINC000000627585 212166178 /nfs/dbraw/zinc/16/61/78/212166178.db2.gz GCWSGQPKIODBTC-WLYUNCDWSA-N -1 0 387.432 2.876 50 0 GFAARM COc1ccc2c(CC(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)coc2c1 ZINC000010721141 212117869 /nfs/dbraw/zinc/11/78/69/212117869.db2.gz GJGDKGBOWQQGFJ-UHFFFAOYSA-N -1 0 383.429 2.941 50 0 GFAARM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cc(-c3ccco3)no2)cn1 ZINC000328593932 212083431 /nfs/dbraw/zinc/08/34/31/212083431.db2.gz BCZIKKFDQOVDLL-UHFFFAOYSA-N -1 0 386.389 2.930 50 0 GFAARM CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002096347 220503426 /nfs/dbraw/zinc/50/34/26/220503426.db2.gz NAHCUSJLJQVSLG-SJCJKPOMSA-N -1 0 387.432 2.665 50 0 GFAARM COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000004853059 220775886 /nfs/dbraw/zinc/77/58/86/220775886.db2.gz HRQURWILMCCLDC-UHFFFAOYSA-N -1 0 399.852 2.946 50 0 GFAARM CC(C)C[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000005235474 220847661 /nfs/dbraw/zinc/84/76/61/220847661.db2.gz BECHYHJRWRRZLV-QGZVFWFLSA-N -1 0 387.432 2.666 50 0 GFAARM CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000007709216 221007445 /nfs/dbraw/zinc/00/74/45/221007445.db2.gz DHURKUYPVJDLEY-UHFFFAOYSA-N -1 0 390.461 2.976 50 0 GFAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](CC(C)C)C(=O)[O-])ccc12 ZINC000008856481 221060770 /nfs/dbraw/zinc/06/07/70/221060770.db2.gz DDNWTLKITWNFPX-OAHLLOKOSA-N -1 0 375.421 2.658 50 0 GFAARM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(C(C)C)s2)n1 ZINC000008916246 221061945 /nfs/dbraw/zinc/06/19/45/221061945.db2.gz FGIZDNKAKJHGFG-UHFFFAOYSA-N -1 0 389.890 2.541 50 0 GFAARM CCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=O)NC1=O)CCCCC2 ZINC000009088490 221069836 /nfs/dbraw/zinc/06/98/36/221069836.db2.gz DXWWNLQDNUTOKN-UHFFFAOYSA-N -1 0 377.422 2.900 50 0 GFAARM Nc1nc([N-]S(=O)(=O)c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 ZINC000009421803 221080144 /nfs/dbraw/zinc/08/01/44/221080144.db2.gz RSXYRJGYFLYMAQ-UHFFFAOYSA-N -1 0 398.473 2.774 50 0 GFAARM COc1ccc(C[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[n-]2)c(OC)c1 ZINC000009434367 221081934 /nfs/dbraw/zinc/08/19/34/221081934.db2.gz KBCFDEUEDFREPD-QGZVFWFLSA-N -1 0 381.436 2.799 50 0 GFAARM Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(C(=O)[O-])c2)C3)cc1 ZINC000012323250 221181761 /nfs/dbraw/zinc/18/17/61/221181761.db2.gz NNBHBKMXWSEAFR-GOSISDBHSA-N -1 0 377.400 2.690 50 0 GFAARM COc1ccccc1/C=C(/NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)[O-] ZINC000012437204 221193853 /nfs/dbraw/zinc/19/38/53/221193853.db2.gz AYYDDGSZHAXAIB-NTEUORMPSA-N -1 0 387.388 2.577 50 0 GFAARM COc1ccc2nc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)sc2c1 ZINC000012769544 221229041 /nfs/dbraw/zinc/22/90/41/221229041.db2.gz MXHGQEBUDWAQOX-UHFFFAOYSA-N -1 0 377.447 2.929 50 0 GFAARM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 ZINC000012940792 221248745 /nfs/dbraw/zinc/24/87/45/221248745.db2.gz YCJZPXSKEUSTGA-VEGGFIAOSA-N -1 0 378.428 2.814 50 0 GFAARM Cc1cccc(CN2CCN(S(=O)(=O)c3cc(C(=O)[O-])ccc3C)CC2)c1 ZINC000013309647 221265054 /nfs/dbraw/zinc/26/50/54/221265054.db2.gz PESDJSFNQGFAPM-UHFFFAOYSA-N -1 0 388.489 2.508 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000013427361 221267651 /nfs/dbraw/zinc/26/76/51/221267651.db2.gz NDHGKNCDUVZCCV-GOSISDBHSA-N -1 0 382.416 2.768 50 0 GFAARM C[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000013468247 221269041 /nfs/dbraw/zinc/26/90/41/221269041.db2.gz FBCCBTGBPOTPSX-QVKFZJNVSA-N -1 0 378.432 2.877 50 0 GFAARM CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2=O)c1ccccc1 ZINC000013843383 221291975 /nfs/dbraw/zinc/29/19/75/221291975.db2.gz FYOGODRHQMCRDY-OAHLLOKOSA-N -1 0 380.400 2.890 50 0 GFAARM CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000095390253 533439732 /nfs/dbraw/zinc/43/97/32/533439732.db2.gz WEAKDCRWKAHODA-QGZVFWFLSA-N -1 0 387.457 2.808 50 0 GFAARM Cc1ccc(C)c(CNc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)c1 ZINC000096142150 136184290 /nfs/dbraw/zinc/18/42/90/136184290.db2.gz OJVCLYJHKWDADF-UHFFFAOYSA-N -1 0 384.480 2.904 50 0 GFAARM Cc1csc(-n2[n-]c(C)c(CC(=O)N3CCN(c4ccccc4)CC3)c2=O)n1 ZINC000101831002 136189939 /nfs/dbraw/zinc/18/99/39/136189939.db2.gz HJOSDLLBEVPWGX-UHFFFAOYSA-N -1 0 397.504 2.543 50 0 GFAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCN1C(=O)CCc2ccccc21 ZINC000237646189 136192319 /nfs/dbraw/zinc/19/23/19/136192319.db2.gz DSCMNFAKJMLGAB-SFHVURJKSA-N -1 0 380.444 2.997 50 0 GFAARM O=C1N[C@]([N-]c2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000049547564 222001241 /nfs/dbraw/zinc/00/12/41/222001241.db2.gz QNGRPGWRZDFKKV-AWEZNQCLSA-N -1 0 385.733 2.757 50 0 GFAARM CCSCCn1c2cc(C(=O)[O-])cnc2n(Cc2ccc(F)cc2)c1=O ZINC000055227121 222018772 /nfs/dbraw/zinc/01/87/72/222018772.db2.gz JYOXYZUSTNSPJH-UHFFFAOYSA-N -1 0 375.425 2.837 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccn(C)n2)cc1 ZINC000058282563 222047879 /nfs/dbraw/zinc/04/78/79/222047879.db2.gz ASMVMISMXBLVDI-UHFFFAOYSA-N -1 0 376.463 2.843 50 0 GFAARM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000058420821 222052666 /nfs/dbraw/zinc/05/26/66/222052666.db2.gz QVZIFOXPEJUHCR-CJNGLKHVSA-N -1 0 386.370 2.628 50 0 GFAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCOc2c(C)cccc2C)c1 ZINC000059894936 222058181 /nfs/dbraw/zinc/05/81/81/222058181.db2.gz WIFYLNVCLNHEDH-UHFFFAOYSA-N -1 0 376.478 2.792 50 0 GFAARM CCn1c2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2sc1=O ZINC000064946797 222088910 /nfs/dbraw/zinc/08/89/10/222088910.db2.gz GRYUKMYWZBSRSP-UHFFFAOYSA-N -1 0 394.474 2.901 50 0 GFAARM CCc1nnc(-c2ccc(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)o2)o1 ZINC000065246234 222115152 /nfs/dbraw/zinc/11/51/52/222115152.db2.gz UZEZUNRBRGNWBX-UHFFFAOYSA-N -1 0 379.394 2.710 50 0 GFAARM COc1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCSCC3)c2)cc1 ZINC000071759685 222193316 /nfs/dbraw/zinc/19/33/16/222193316.db2.gz BNCFMOCJWIINDT-UHFFFAOYSA-N -1 0 393.486 2.798 50 0 GFAARM CC(=O)c1c(C)nn(CCC(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)c1C ZINC000072161293 222215398 /nfs/dbraw/zinc/21/53/98/222215398.db2.gz CYVSAZMRURCZBH-MRXNPFEDSA-N -1 0 383.448 2.807 50 0 GFAARM O=S(=O)([N-]c1nnc(-c2ccccn2)s1)c1ccc2c(c1)OCCCO2 ZINC000079061465 222301447 /nfs/dbraw/zinc/30/14/47/222301447.db2.gz GCSLPEQLFUXEAZ-UHFFFAOYSA-N -1 0 390.446 2.562 50 0 GFAARM COC(=O)c1ncsc1S(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC000096008985 222370925 /nfs/dbraw/zinc/37/09/25/222370925.db2.gz WUOALUBQNPPLGO-UHFFFAOYSA-N -1 0 388.470 2.998 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc2c(c1)CCO2 ZINC000096220921 222398632 /nfs/dbraw/zinc/39/86/32/222398632.db2.gz MMTNHOVIOHMMNR-IBGZPJMESA-N -1 0 378.428 2.848 50 0 GFAARM COc1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000096361186 222414530 /nfs/dbraw/zinc/41/45/30/222414530.db2.gz IVOAQBRSQBTNIJ-UHFFFAOYSA-N -1 0 390.396 2.611 50 0 GFAARM COc1ccccc1NC(=O)CSc1nc([O-])cc(=O)n1-c1ccccc1C ZINC000008575268 534173816 /nfs/dbraw/zinc/17/38/16/534173816.db2.gz KVUREDOEDYDZLS-UHFFFAOYSA-N -1 0 397.456 2.986 50 0 GFAARM Cc1ccc(-n2cc(C(=O)Nc3ccc(OCC(=O)[O-])c(Cl)c3)nn2)cc1 ZINC000095464072 534238333 /nfs/dbraw/zinc/23/83/33/534238333.db2.gz MHTDCBDBFFESRG-UHFFFAOYSA-N -1 0 386.795 2.945 50 0 GFAARM Cc1oc(CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000408513376 534544988 /nfs/dbraw/zinc/54/49/88/534544988.db2.gz LDDIYCXNKLMRSZ-UHFFFAOYSA-N -1 0 384.344 2.642 50 0 GFAARM O=C([O-])c1csc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000237963960 534550922 /nfs/dbraw/zinc/55/09/22/534550922.db2.gz MGHINBRASYHTNI-HNNXBMFYSA-N -1 0 380.491 2.562 50 0 GFAARM O=C(CCCCCn1c(=S)[n-]c2ccsc2c1=O)NC[C@@H]1CCCO1 ZINC000003059184 551092250 /nfs/dbraw/zinc/09/22/50/551092250.db2.gz HRGAISBRVVLTGR-LBPRGKRZSA-N -1 0 381.523 2.976 50 0 GFAARM O=C([O-])C[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccc(Cl)cc1 ZINC000004126539 551094377 /nfs/dbraw/zinc/09/43/77/551094377.db2.gz SGQLMLKFYNQNOY-LBPRGKRZSA-N -1 0 397.865 2.839 50 0 GFAARM O=C(Nc1cc(=O)nc2[n-]c(C(F)(F)F)nn21)c1ccc(Cl)cc1Cl ZINC000009318692 551103506 /nfs/dbraw/zinc/10/35/06/551103506.db2.gz PPTYUUYSCQFVNG-UHFFFAOYSA-N -1 0 392.124 2.996 50 0 GFAARM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2csc(Br)c2)C1=O ZINC000030579034 551127945 /nfs/dbraw/zinc/12/79/45/551127945.db2.gz BOWDWQCKBSDCFG-HNNXBMFYSA-N -1 0 394.250 2.623 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc(Cl)nc1)c1ccc(OC(F)(F)F)cc1 ZINC000042282118 551139361 /nfs/dbraw/zinc/13/93/61/551139361.db2.gz NMDZFVNDNXIPBR-UHFFFAOYSA-N -1 0 380.731 2.752 50 0 GFAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CCO1 ZINC000238193941 553086703 /nfs/dbraw/zinc/08/67/03/553086703.db2.gz HOSRNZYYOXIVJT-YFBAIUBQSA-N -1 0 377.746 2.988 50 0 GFAARM Cc1nc(-c2cccc(C(=O)[N-]S(=O)(=O)c3ncccc3F)c2)cs1 ZINC000252478513 553149704 /nfs/dbraw/zinc/14/97/04/553149704.db2.gz AOQLWMCCAQRVOQ-UHFFFAOYSA-N -1 0 377.422 2.771 50 0 GFAARM O=C([O-])C1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000263003313 553180625 /nfs/dbraw/zinc/18/06/25/553180625.db2.gz GKSIKIMZZKWZKK-UHFFFAOYSA-N -1 0 393.241 2.963 50 0 GFAARM COc1ccc2c(c1OC)C(=O)N1[C@H]2c2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-] ZINC000000754222 560178693 /nfs/dbraw/zinc/17/86/93/560178693.db2.gz NNRWDPOHSYYGEI-RDTXWAMCSA-N -1 0 378.384 2.740 50 0 biogenic,in-vitro GFAARM CO[C@@](C)(C(=O)[O-])C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000663034532 565393016 /nfs/dbraw/zinc/39/30/16/565393016.db2.gz GZEXKFZBDKGJGN-SWLSCSKDSA-N -1 0 380.199 2.522 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100563693 570273247 /nfs/dbraw/zinc/27/32/47/570273247.db2.gz HSVKCNAZNOMLDI-DOTOQJQBSA-N -1 0 397.818 2.637 50 0 GFAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000020714863 570275386 /nfs/dbraw/zinc/27/53/86/570275386.db2.gz IEZAEEIXOBBCBF-MRXNPFEDSA-N -1 0 377.416 2.985 50 0 GFAARM CCc1nnc([N-]S(=O)(=O)c2ccc(I)cc2)s1 ZINC000000642764 570279363 /nfs/dbraw/zinc/27/93/63/570279363.db2.gz OMTQVWYZVYTYEA-UHFFFAOYSA-N -1 0 395.247 2.506 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2oc3ccccc3c2COc2ccccc2)CCO1 ZINC000485830964 570323514 /nfs/dbraw/zinc/32/35/14/570323514.db2.gz UJEJUWAQPHALTR-SFHVURJKSA-N -1 0 381.384 2.937 50 0 GFAARM Cc1cccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)[O-])cc(c43)C2=O)c1 ZINC000003045306 570326796 /nfs/dbraw/zinc/32/67/96/570326796.db2.gz MEFWMAYRBIYTMX-UHFFFAOYSA-N -1 0 382.397 2.778 50 0 GFAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCCOC)c(=O)[n-]2)c1 ZINC000034765078 570333253 /nfs/dbraw/zinc/33/32/53/570333253.db2.gz PZZRHDYKQVFBMG-AWEZNQCLSA-N -1 0 388.468 2.507 50 0 GFAARM CN1c2ccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])c3cccc(c23)C1=O ZINC000004660896 570390509 /nfs/dbraw/zinc/39/05/09/570390509.db2.gz GUABNFZTQZJDSR-UHFFFAOYSA-N -1 0 382.397 2.929 50 0 GFAARM Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)[N-]C3=O)cc2Cl)cc1 ZINC000004696492 570394279 /nfs/dbraw/zinc/39/42/79/570394279.db2.gz ZNAKHPDUYZWKTJ-OQLLNIDSSA-N -1 0 385.807 2.846 50 0 GFAARM Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237838779 570404338 /nfs/dbraw/zinc/40/43/38/570404338.db2.gz YKLFPWWFZQYCRH-AWEZNQCLSA-N -1 0 375.856 2.927 50 0 GFAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)cnn32)c1 ZINC000035685043 570416606 /nfs/dbraw/zinc/41/66/06/570416606.db2.gz LNODAEADSBBYIY-INIZCTEOSA-N -1 0 394.362 2.909 50 0 GFAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccnc1 ZINC000005144802 570426584 /nfs/dbraw/zinc/42/65/84/570426584.db2.gz YOZMWMFHZUPAQN-UHFFFAOYSA-N -1 0 381.461 2.940 50 0 GFAARM Cc1ccc(CN2C[C@@H](C(=O)N[C@H](CC(=O)[O-])c3cccs3)CC2=O)cc1 ZINC000237727691 570427218 /nfs/dbraw/zinc/42/72/18/570427218.db2.gz URSCFUGANVEQRC-JKSUJKDBSA-N -1 0 386.473 2.737 50 0 GFAARM C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)C1=O ZINC000268889920 570442095 /nfs/dbraw/zinc/44/20/95/570442095.db2.gz IXSNPVPWPQDZIH-WBVHZDCISA-N -1 0 396.443 2.913 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2cccnc21 ZINC000028167351 570451592 /nfs/dbraw/zinc/45/15/92/570451592.db2.gz RUNODPMUXAFLLN-QGZVFWFLSA-N -1 0 395.440 2.690 50 0 GFAARM O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000252535700 570478107 /nfs/dbraw/zinc/47/81/07/570478107.db2.gz GPNZPQFJJHTISQ-MRXNPFEDSA-N -1 0 383.429 2.760 50 0 GFAARM CC(C)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O ZINC000002970818 570523713 /nfs/dbraw/zinc/52/37/13/570523713.db2.gz VWFLOGYEFUBSPP-AWEZNQCLSA-N -1 0 375.494 2.640 50 0 GFAARM CC1CCC(NC(=O)CCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1 ZINC000002975368 570525012 /nfs/dbraw/zinc/52/50/12/570525012.db2.gz AJGDLNBRYNTJLD-UHFFFAOYSA-N -1 0 389.477 2.873 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000036096221 570536981 /nfs/dbraw/zinc/53/69/81/570536981.db2.gz APFIIRYVWBJDAC-UHFFFAOYSA-N -1 0 387.417 2.888 50 0 GFAARM Cc1cc(C)cc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)c1 ZINC000032962236 570543044 /nfs/dbraw/zinc/54/30/44/570543044.db2.gz GQBMJNCMBBGJOI-UHFFFAOYSA-N -1 0 390.461 2.639 50 0 GFAARM O=C([O-])c1ccn(-c2ccc(NC(=O)Cn3ccc(=O)c4ccccc43)cc2)n1 ZINC000225460854 570576764 /nfs/dbraw/zinc/57/67/64/570576764.db2.gz JRYLUSSJPJGBFU-UHFFFAOYSA-N -1 0 388.383 2.524 50 0 GFAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCC(C(=O)[O-])CC3)c2c1 ZINC000036358516 570639210 /nfs/dbraw/zinc/63/92/10/570639210.db2.gz JJCYIQMCBNCCCM-KRWDZBQOSA-N -1 0 387.436 2.685 50 0 GFAARM CCOc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1 ZINC000005565178 570645196 /nfs/dbraw/zinc/64/51/96/570645196.db2.gz ASQQKOXUKNTCNF-QFIPXVFZSA-N -1 0 393.443 2.655 50 0 GFAARM COc1ccc(C(=O)[O-])cc1Cn1nc(C)c(I)c1C ZINC000012355505 570645526 /nfs/dbraw/zinc/64/55/26/570645526.db2.gz NROWMMDEJJFBFB-UHFFFAOYSA-N -1 0 386.189 2.860 50 0 GFAARM COc1cncc([C@H](NC(=O)c2cc(=O)c3cccc(F)c3[n-]2)[C@H]2C[C@H](O)C2)c1 ZINC000253534868 570733645 /nfs/dbraw/zinc/73/36/45/570733645.db2.gz MYOAYRIALDOUKP-MJCKAROISA-N -1 0 397.406 2.725 50 0 GFAARM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000025369191 570748100 /nfs/dbraw/zinc/74/81/00/570748100.db2.gz FPPOMVLJEHXKFW-UHFFFAOYSA-N -1 0 383.267 2.952 50 0 GFAARM CC(=O)Nc1ccc(N2CCN(c3ccc(C(C)=O)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078498 570804875 /nfs/dbraw/zinc/80/48/75/570804875.db2.gz ZPXIQHOEQPTPFL-UHFFFAOYSA-N -1 0 381.432 2.872 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)c1 ZINC000101260818 570817676 /nfs/dbraw/zinc/81/76/76/570817676.db2.gz JPSSDIFFXCRXLR-CVEARBPZSA-N -1 0 386.795 2.855 50 0 GFAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000007323785 570829666 /nfs/dbraw/zinc/82/96/66/570829666.db2.gz WLFFSMPZIPYKAN-ZDUSSCGKSA-N -1 0 390.461 2.802 50 0 GFAARM CCCCn1c([O-])c(C2=NN[C@@H](c3cccc4ccccc43)C2)c(=O)[nH]c1=O ZINC000101761967 570832974 /nfs/dbraw/zinc/83/29/74/570832974.db2.gz QUKIDTGLGOGHLY-MRXNPFEDSA-N -1 0 378.432 2.634 50 0 GFAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)N1CCOCC1 ZINC000101832828 570836751 /nfs/dbraw/zinc/83/67/51/570836751.db2.gz OZDPXOMLHPOBDV-UHFFFAOYSA-N -1 0 398.488 2.801 50 0 GFAARM Cn1c(=O)c2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2[n-]c1=S ZINC000102181690 570842572 /nfs/dbraw/zinc/84/25/72/570842572.db2.gz JBBVMWZDQFJVQW-UHFFFAOYSA-N -1 0 389.864 2.684 50 0 GFAARM Cc1ccccc1C(=O)Nc1ccc(OCc2cc(=O)n3nc[n-]c3n2)cc1 ZINC000102621550 570854298 /nfs/dbraw/zinc/85/42/98/570854298.db2.gz QLCMSQPHWXHBAK-UHFFFAOYSA-N -1 0 375.388 2.557 50 0 GFAARM Cc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4nc[n-]c4n3)cc2)cc1 ZINC000102621538 570854361 /nfs/dbraw/zinc/85/43/61/570854361.db2.gz BSTSCIRTOWVECI-UHFFFAOYSA-N -1 0 375.388 2.557 50 0 GFAARM O=C(NCc1ccc(Br)s1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047087388 570939525 /nfs/dbraw/zinc/93/95/25/570939525.db2.gz AGFOYBLHRZZGLL-UHFFFAOYSA-N -1 0 396.291 2.966 50 0 GFAARM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n[nH]1 ZINC000032932352 570945160 /nfs/dbraw/zinc/94/51/60/570945160.db2.gz LLADGVHHIJZLEM-UHFFFAOYSA-N -1 0 386.433 2.742 50 0 GFAARM Cc1cc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c2c3c(c(=O)oc2c1)CCC3 ZINC000002137122 570962538 /nfs/dbraw/zinc/96/25/38/570962538.db2.gz FEPFNEAPQRSIDK-HNNXBMFYSA-N -1 0 387.432 2.584 50 0 GFAARM CC(C)C12CN3CC(C)(CN(C1)C3c1cn(CCC(=O)[O-])c3ccccc13)C2=O ZINC000032123985 570963455 /nfs/dbraw/zinc/96/34/55/570963455.db2.gz NEJJKEGKHUGTJR-UHFFFAOYSA-N -1 0 395.503 2.977 50 0 GFAARM CCC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002157848 570973921 /nfs/dbraw/zinc/97/39/21/570973921.db2.gz BTCASKWFHPAYAI-SWLSCSKDSA-N -1 0 387.432 2.727 50 0 GFAARM Nc1c2cc(C(=O)[O-])c(=O)[nH]c2sc1C(=O)Nc1nc2ccccc2s1 ZINC000004789491 570990223 /nfs/dbraw/zinc/99/02/23/570990223.db2.gz LQZBYIAFIUNMIF-UHFFFAOYSA-N -1 0 386.414 2.732 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000232756944 571003221 /nfs/dbraw/zinc/00/32/21/571003221.db2.gz MVYPYIUVWYRYHQ-OAHLLOKOSA-N -1 0 380.491 2.562 50 0 GFAARM CC[C@@H](c1cccnc1)N(C)C(=O)c1cnc(COc2ccccc2)[nH]c1=O ZINC000091381489 571005311 /nfs/dbraw/zinc/00/53/11/571005311.db2.gz ONGNHDFPIVWVMD-SFHVURJKSA-N -1 0 378.432 2.967 50 0 GFAARM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N1CCN(Cc2ccccn2)CC1 ZINC000095381866 571068300 /nfs/dbraw/zinc/06/83/00/571068300.db2.gz QKXMSFUGYYMVIF-SFHVURJKSA-N -1 0 375.856 2.687 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc12 ZINC000275340589 598202041 /nfs/dbraw/zinc/20/20/41/598202041.db2.gz RNRGPIQZQSYZPR-CQSZACIVSA-N -1 0 390.461 2.674 50 0 GFAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC000299750004 601604998 /nfs/dbraw/zinc/60/49/98/601604998.db2.gz MJBYBJMVUBVVMT-IBGZPJMESA-N -1 0 382.391 2.754 50 0 GFAARM O=C([O-])c1csc(S(=O)(=O)N2CCC[C@@H]2COc2ccc(F)cc2)c1 ZINC000509045057 655417144 /nfs/dbraw/zinc/41/71/44/655417144.db2.gz HRZNBGUELLMXQJ-CYBMUJFWSA-N -1 0 385.438 2.818 50 0 GFAARM Cc1nnc(CCC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)[nH]1 ZINC000426683730 231251677 /nfs/dbraw/zinc/25/16/77/231251677.db2.gz DSATUIOGBFCMOT-FIKGOQFSSA-N -1 0 382.464 2.543 50 0 GFAARM CC[C@H](NC(=O)c1ccc(-c2cc(C(=O)[O-])ccn2)cc1)c1ncnn1CC ZINC000426412993 529563696 /nfs/dbraw/zinc/56/36/96/529563696.db2.gz PSSKNHFDGQBRCU-INIZCTEOSA-N -1 0 379.420 2.939 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000299751906 222784846 /nfs/dbraw/zinc/78/48/46/222784846.db2.gz SGKOSTBOJBMJHW-SFHVURJKSA-N -1 0 384.432 2.744 50 0 GFAARM COc1cc(OC)c([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC ZINC000002121625 291121966 /nfs/dbraw/zinc/12/19/66/291121966.db2.gz UCESPARULGXJHG-YWZLYKJASA-N -1 0 382.416 2.882 50 0 biogenic,in-vitro GFAARM CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000001088063 212216323 /nfs/dbraw/zinc/21/63/23/212216323.db2.gz IIYSHQJDIJQHLK-CVEARBPZSA-N -1 0 382.482 2.547 50 0 GFAARM COc1cccc2c(S(=O)(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])ccnc12 ZINC000001102642 212216159 /nfs/dbraw/zinc/21/61/59/212216159.db2.gz RXGHJANOPCVWMS-IBGZPJMESA-N -1 0 398.440 2.616 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ncc(C)cc1Br ZINC000001028439 212206772 /nfs/dbraw/zinc/20/67/72/212206772.db2.gz HLZKBQRRMDSUED-UHFFFAOYSA-N -1 0 391.268 2.801 50 0 GFAARM CCc1ccccc1NC(=O)[C@H](Cc1cc(OC)ccc1OC)c1nnn[n-]1 ZINC000000931792 212195417 /nfs/dbraw/zinc/19/54/17/212195417.db2.gz JTLJWFQDQFGLTA-MRXNPFEDSA-N -1 0 381.436 2.744 50 0 GFAARM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)c(C)c1 ZINC000000673939 212172626 /nfs/dbraw/zinc/17/26/26/212172626.db2.gz JYLMBKRKBXPJPY-UHFFFAOYSA-N -1 0 376.434 2.908 50 0 GFAARM COc1ccc2c(CC(=O)NC[C@H]3CC[C@@H](C(=O)[O-])CC3)cc(=O)oc2c1C ZINC000217455441 212112932 /nfs/dbraw/zinc/11/29/32/212112932.db2.gz QBTUAXVTKIGPIW-HDJSIYSDSA-N -1 0 387.432 2.660 50 0 GFAARM O=C([O-])CCN(C(=O)/C=C/c1cc2c(c(Cl)c1)OCO2)C1CCOCC1 ZINC000328595402 212082484 /nfs/dbraw/zinc/08/24/84/212082484.db2.gz UFTUTUGZRVKCSJ-OWOJBTEDSA-N -1 0 381.812 2.564 50 0 GFAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1I)C(=O)[O-] ZINC000002385585 220527533 /nfs/dbraw/zinc/52/75/33/220527533.db2.gz CAPUJMUOMAUNOD-NSHDSACASA-N -1 0 391.205 2.812 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000002869547 220576659 /nfs/dbraw/zinc/57/66/59/220576659.db2.gz BDRWISXYBKMPEU-UHFFFAOYSA-N -1 0 393.490 2.545 50 0 GFAARM COc1cc2c(cc1OC)-c1cc(Nc3ccc(C(=O)[O-])cc3)nc(=O)n1CC2 ZINC000004000103 220670371 /nfs/dbraw/zinc/67/03/71/220670371.db2.gz CCECVUURRVFEMM-UHFFFAOYSA-N -1 0 393.399 2.925 50 0 GFAARM CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000004089459 220679473 /nfs/dbraw/zinc/67/94/73/220679473.db2.gz XBRBXJJZKJJNIZ-FCEWJHQRSA-N -1 0 396.468 2.977 50 0 GFAARM COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000004702416 220751149 /nfs/dbraw/zinc/75/11/49/220751149.db2.gz XAVVCGGMYMMXGN-YDRQLGOLSA-N -1 0 396.399 2.640 50 0 GFAARM Cc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)[O-])c(O)c3c2)cc1C ZINC000005156403 220838646 /nfs/dbraw/zinc/83/86/46/220838646.db2.gz PKVIXEPRALFLIS-UHFFFAOYSA-N -1 0 386.429 2.668 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)nc2sccn2c1=O ZINC000006859681 220971669 /nfs/dbraw/zinc/97/16/69/220971669.db2.gz CTMYHCXFGJHSFQ-UHFFFAOYSA-N -1 0 385.854 2.527 50 0 GFAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000007505376 221000105 /nfs/dbraw/zinc/00/01/05/221000105.db2.gz QWPADYDSHPVJOR-UHFFFAOYSA-N -1 0 379.434 2.908 50 0 GFAARM C[C@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000008535372 221043513 /nfs/dbraw/zinc/04/35/13/221043513.db2.gz XUUDFDJLYWUDFH-AWEZNQCLSA-N -1 0 394.427 2.553 50 0 GFAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc(F)cc2)c(C)n1C ZINC000009684707 221089191 /nfs/dbraw/zinc/08/91/91/221089191.db2.gz ZPMHDBZOJWWSJS-UHFFFAOYSA-N -1 0 379.457 2.818 50 0 GFAARM COc1ccc(OCCN2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000012996358 221254537 /nfs/dbraw/zinc/25/45/37/221254537.db2.gz DJHQPRCQEOMKFH-UHFFFAOYSA-N -1 0 390.867 2.891 50 0 GFAARM COc1cccc(-c2nc3ccccc3c(NCCN3CCOCC3)n2)c1[O-] ZINC000013127437 221262219 /nfs/dbraw/zinc/26/22/19/221262219.db2.gz XCGXKGFYNQCIBP-UHFFFAOYSA-N -1 0 380.448 2.755 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCCc3ccccc3)cc2s1 ZINC000013691182 221281604 /nfs/dbraw/zinc/28/16/04/221281604.db2.gz KJSNDFWEKBWIDL-UHFFFAOYSA-N -1 0 375.475 2.640 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000014250673 221306987 /nfs/dbraw/zinc/30/69/87/221306987.db2.gz RGXBHXHIPOGYPP-UHFFFAOYSA-N -1 0 378.841 2.789 50 0 GFAARM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc21 ZINC000016916559 221373875 /nfs/dbraw/zinc/37/38/75/221373875.db2.gz INQYKONDDCEDFG-UHFFFAOYSA-N -1 0 381.251 2.769 50 0 GFAARM COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1C(=O)[O-] ZINC000408526014 533650732 /nfs/dbraw/zinc/65/07/32/533650732.db2.gz UWLJGPFKNHQJNM-SNVBAGLBSA-N -1 0 386.429 2.756 50 0 GFAARM COc1cc([C@H](C(=O)[O-])N2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000095375429 136178584 /nfs/dbraw/zinc/17/85/84/136178584.db2.gz HPEQVCXWTJBYHS-LJQANCHMSA-N -1 0 386.448 2.660 50 0 GFAARM CSc1ccc2c(C)cc(N3CCC4(CC3)NC(=O)C[C@H]4C(=O)[O-])nc2c1 ZINC000095386224 136178667 /nfs/dbraw/zinc/17/86/67/136178667.db2.gz GEFFBKUXDDYAOZ-HNNXBMFYSA-N -1 0 385.489 2.825 50 0 GFAARM CN(C[C@H]1COCCO1)c1ccc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000046053545 221970498 /nfs/dbraw/zinc/97/04/98/221970498.db2.gz NJFCYGKDTQANKO-ZDUSSCGKSA-N -1 0 376.434 2.550 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)cc1F ZINC000065128940 222102163 /nfs/dbraw/zinc/10/21/63/222102163.db2.gz UDDAOLUSWNUCPC-UHFFFAOYSA-N -1 0 379.438 2.757 50 0 GFAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1 ZINC000065128856 222102588 /nfs/dbraw/zinc/10/25/88/222102588.db2.gz UAHYSJQABWKGHD-UHFFFAOYSA-N -1 0 375.475 2.926 50 0 GFAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(F)cc2OCCO)c1 ZINC000058391123 222051206 /nfs/dbraw/zinc/05/12/06/222051206.db2.gz OMYSAEBWPBCRBV-UHFFFAOYSA-N -1 0 376.409 2.854 50 0 GFAARM COC(=O)c1c2c(sc1NC(=O)c1nccnc1C(=O)[O-])CCCCC2 ZINC000061721338 222063305 /nfs/dbraw/zinc/06/33/05/222063305.db2.gz NPEGWAVRLAWSLJ-UHFFFAOYSA-N -1 0 375.406 2.544 50 0 GFAARM Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N(C)C[C@H]1COCCO1 ZINC000064820495 222083092 /nfs/dbraw/zinc/08/30/92/222083092.db2.gz BIIYEUZYPATWPY-INIZCTEOSA-N -1 0 384.432 2.797 50 0 GFAARM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067673144 222154829 /nfs/dbraw/zinc/15/48/29/222154829.db2.gz DBDFHEFLMGVWNT-AWEZNQCLSA-N -1 0 381.436 2.627 50 0 GFAARM CC(C)CCN1C[C@@]2(CCCN(C(=O)CCc3cc(=O)[n-]o3)C2)CCC1=O ZINC000077539094 222284681 /nfs/dbraw/zinc/28/46/81/222284681.db2.gz SFIIJMQFDVLFSB-FQEVSTJZSA-N -1 0 377.485 2.590 50 0 GFAARM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)c1noc(C)n1 ZINC000078808823 222297254 /nfs/dbraw/zinc/29/72/54/222297254.db2.gz CPWKXGVEZBWNPL-QGZVFWFLSA-N -1 0 391.424 2.902 50 0 GFAARM CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)sc2ccccc21 ZINC000095995688 222369397 /nfs/dbraw/zinc/36/93/97/222369397.db2.gz MHYTYQARTHMIKV-UHFFFAOYSA-N -1 0 396.515 2.919 50 0 GFAARM O=C([O-])CCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000112124605 222515688 /nfs/dbraw/zinc/51/56/88/222515688.db2.gz RPZDZVQYENRHPO-MRXNPFEDSA-N -1 0 398.440 2.914 50 0 GFAARM CCSc1nnc(SCC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)s1 ZINC000003325215 551092909 /nfs/dbraw/zinc/09/29/09/551092909.db2.gz YJCWHWGRIISMGA-UHFFFAOYSA-N -1 0 399.519 2.765 50 0 GFAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)OCc1ccccc1 ZINC000004853704 551095078 /nfs/dbraw/zinc/09/50/78/551095078.db2.gz LIHFVISKCHPZGD-UHFFFAOYSA-N -1 0 380.422 2.773 50 0 GFAARM O=C(C[C@@H]1OCCc2ccccc21)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000170656506 551636936 /nfs/dbraw/zinc/63/69/36/551636936.db2.gz DICFLZCRIVYNQJ-KRWDZBQOSA-N -1 0 379.865 2.990 50 0 GFAARM O=C([O-])C1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000238043544 553085322 /nfs/dbraw/zinc/08/53/22/553085322.db2.gz JPBYWENTRFQDRV-UHFFFAOYSA-N -1 0 378.226 2.572 50 0 GFAARM O=C([O-])C1CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000262442516 553170871 /nfs/dbraw/zinc/17/08/71/553170871.db2.gz BNDHOIBONUDGKQ-UHFFFAOYSA-N -1 0 382.663 2.588 50 0 GFAARM CCCCn1c(=O)c(C2=NN[C@@H](c3ccc(OC)c(O)c3)C2)c([O-])[nH]c1=S ZINC000015834789 570272101 /nfs/dbraw/zinc/27/21/01/570272101.db2.gz NPERKFKIVASEHE-LLVKDONJSA-N -1 0 390.465 2.564 50 0 GFAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2nc3ccc(Br)cc3s2)n1 ZINC000020615050 570272477 /nfs/dbraw/zinc/27/24/77/570272477.db2.gz UXKBAFLCGCOUPM-UHFFFAOYSA-N -1 0 381.211 2.743 50 0 GFAARM CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])sc2c1 ZINC000002503178 570288802 /nfs/dbraw/zinc/28/88/02/570288802.db2.gz SUINWZINFPLMBA-WDEREUQCSA-N -1 0 382.463 2.529 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560723 570290891 /nfs/dbraw/zinc/29/08/91/570290891.db2.gz SIRPVCUJLVXZPW-LJQANCHMSA-N -1 0 377.400 2.944 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000002573745 570291134 /nfs/dbraw/zinc/29/11/34/570291134.db2.gz RQAHJROJUAPOQU-VMPITWQZSA-N -1 0 399.516 2.724 50 0 GFAARM Cc1c(C(=O)[O-])sc2[nH]c(SCC(=O)NC3CCCCC3)nc(=O)c12 ZINC000002700718 570295474 /nfs/dbraw/zinc/29/54/74/570295474.db2.gz QLCVEAXOOMTVCI-UHFFFAOYSA-N -1 0 381.479 2.532 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N(C)C[C@H]3CCCO3)cc2)c(C)c1CCC(=O)[O-] ZINC000237239814 570340521 /nfs/dbraw/zinc/34/05/21/570340521.db2.gz IUZJLCKBOZSOIL-GOSISDBHSA-N -1 0 385.464 2.757 50 0 GFAARM Cc1c(NC(=O)CSc2ccccc2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000003379339 570343653 /nfs/dbraw/zinc/34/36/53/570343653.db2.gz WDGWYAVMAFUOCF-UHFFFAOYSA-N -1 0 397.456 2.913 50 0 GFAARM COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205961611 570345945 /nfs/dbraw/zinc/34/59/45/570345945.db2.gz SOFZZLPLJSUYGA-HNNXBMFYSA-N -1 0 375.384 2.643 50 0 GFAARM O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccc(F)cc1 ZINC000006237765 570347520 /nfs/dbraw/zinc/34/75/20/570347520.db2.gz DVMNTRQQCSWHIH-INIZCTEOSA-N -1 0 396.447 2.590 50 0 GFAARM COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000033446316 570350192 /nfs/dbraw/zinc/35/01/92/570350192.db2.gz CKSSKKOBJMOSRS-BIRYMOPTSA-N -1 0 396.443 2.692 50 0 GFAARM CC(C)C[C@@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000004976812 570387891 /nfs/dbraw/zinc/38/78/91/570387891.db2.gz WPBSOYMJPUMBJM-RBFDBLARSA-N -1 0 388.395 2.805 50 0 GFAARM Cc1ccc(-n2ncc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c2C2CC2)cc1Cl ZINC000237782319 570397186 /nfs/dbraw/zinc/39/71/86/570397186.db2.gz PXAFXPKCPCSJPX-INIZCTEOSA-N -1 0 389.839 2.637 50 0 GFAARM O=C(Nc1nccs1)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)o1 ZINC000035597489 570400349 /nfs/dbraw/zinc/40/03/49/570400349.db2.gz KOXAHZSMGXZNFR-UHFFFAOYSA-N -1 0 393.402 2.518 50 0 GFAARM Cc1c(C(=O)N(C)C2(C(=O)[O-])CCCCC2)nnn1-c1ccc2ncccc2c1 ZINC000191302841 570406638 /nfs/dbraw/zinc/40/66/38/570406638.db2.gz FBSNQVAIRHKYCW-UHFFFAOYSA-N -1 0 393.447 2.983 50 0 GFAARM O=C([O-])C[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CCO1 ZINC000238052159 570422370 /nfs/dbraw/zinc/42/23/70/570422370.db2.gz HQYWCSSVYSQOCK-LBPRGKRZSA-N -1 0 378.812 2.630 50 0 GFAARM Cc1cccc2c3c([nH]c21)CCN(C(=O)CC[C@@]1(CCC(=O)[O-])CCC(=O)N1)C3 ZINC000222747354 570423870 /nfs/dbraw/zinc/42/38/70/570423870.db2.gz YNVSXIUHVJANDL-JOCHJYFZSA-N -1 0 397.475 2.655 50 0 GFAARM O=C([O-])CN(C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000238101168 570424923 /nfs/dbraw/zinc/42/49/23/570424923.db2.gz DPVVSWAYPJEDSL-UHFFFAOYSA-N -1 0 378.812 2.630 50 0 GFAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000026548951 570426943 /nfs/dbraw/zinc/42/69/43/570426943.db2.gz YRVSSWCAXJYGQN-UHFFFAOYSA-N -1 0 399.472 2.811 50 0 GFAARM O=C([O-])[C@@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)Cc1ccccc1 ZINC000238193542 570430649 /nfs/dbraw/zinc/43/06/49/570430649.db2.gz NUTOOCRXPFQZPG-OAHLLOKOSA-N -1 0 384.407 2.626 50 0 GFAARM CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000005706775 570452074 /nfs/dbraw/zinc/45/20/74/570452074.db2.gz IZPLXRUAUHMTGJ-HZPDHXFCSA-N -1 0 396.509 2.650 50 0 GFAARM CC(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000006213394 570472086 /nfs/dbraw/zinc/47/20/86/570472086.db2.gz CVGWXURHMJJHBZ-UHFFFAOYSA-N -1 0 389.477 2.696 50 0 GFAARM COc1cccc(NC(=O)c2cnc([N-]S(=O)(=O)c3ccccc3)nc2)c1 ZINC000006267836 570474841 /nfs/dbraw/zinc/47/48/41/570474841.db2.gz UPIMKKWYWHGCDR-UHFFFAOYSA-N -1 0 384.417 2.538 50 0 GFAARM COCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000022688364 570526543 /nfs/dbraw/zinc/52/65/43/570526543.db2.gz STARZRKUYSJNEH-UHFFFAOYSA-N -1 0 378.425 2.552 50 0 GFAARM COc1cccc(C=C2NC(=S)NC2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000035105434 570549702 /nfs/dbraw/zinc/54/97/02/570549702.db2.gz TVWJYKLCWUGMJO-NTEUORMPSA-N -1 0 384.413 2.729 50 0 GFAARM COCc1nn2c(ncc3c(=O)n([C@H](C)C(=O)[O-])ccc32)c1-c1ccc(F)cc1 ZINC000040397138 570601056 /nfs/dbraw/zinc/60/10/56/570601056.db2.gz ALHOVPJGLQAKND-LLVKDONJSA-N -1 0 396.378 2.642 50 0 GFAARM O=C([O-])c1cccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)c1 ZINC000096234505 570609799 /nfs/dbraw/zinc/60/97/99/570609799.db2.gz WQKYWSKVTNADCA-NTEUORMPSA-N -1 0 399.790 2.613 50 0 GFAARM CCOC(=O)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 ZINC000042783156 570622665 /nfs/dbraw/zinc/62/26/65/570622665.db2.gz YGQDXBQWPWLMNL-GJZGRUSLSA-N -1 0 379.409 2.705 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000044120688 570631668 /nfs/dbraw/zinc/63/16/68/570631668.db2.gz GTXSTEDIVHHJQL-NUEKZKHPSA-N -1 0 396.509 2.650 50 0 GFAARM C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)/C=C/C(=O)[O-])ccc32)C1 ZINC000036359357 570640870 /nfs/dbraw/zinc/64/08/70/570640870.db2.gz HMUZHIACPWHYCM-JWUHVXBTSA-N -1 0 399.447 2.851 50 0 GFAARM COc1ccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccccc2)cc1 ZINC000086066665 570735656 /nfs/dbraw/zinc/73/56/56/570735656.db2.gz UTAPMAABJAVXCE-UHFFFAOYSA-N -1 0 389.415 2.582 50 0 GFAARM O=C([O-])COc1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000007360747 570758311 /nfs/dbraw/zinc/75/83/11/570758311.db2.gz CRQWYKCYAVTHHD-UHFFFAOYSA-N -1 0 386.223 2.713 50 0 GFAARM COC(=O)c1cn([C@H](CC(=O)[O-])c2ccc(SC)cc2)cc2c(=O)[nH]nc1-2 ZINC000524734998 570772522 /nfs/dbraw/zinc/77/25/22/570772522.db2.gz YBUURTRAYUPCLT-CQSZACIVSA-N -1 0 387.417 2.661 50 0 GFAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1cccnc1 ZINC000101836796 570837184 /nfs/dbraw/zinc/83/71/84/570837184.db2.gz RDQGBKJLEBRNKG-INIZCTEOSA-N -1 0 391.387 2.522 50 0 GFAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000037300696 570849666 /nfs/dbraw/zinc/84/96/66/570849666.db2.gz MREQQDIYHPEDFV-AOOOYVTPSA-N -1 0 376.272 2.814 50 0 GFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000016294363 570921502 /nfs/dbraw/zinc/92/15/02/570921502.db2.gz QADZZZIOWJHBAT-KGLIPLIRSA-N -1 0 394.855 2.642 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1C(=O)N1CCCCC1 ZINC000006706890 570938862 /nfs/dbraw/zinc/93/88/62/570938862.db2.gz YMAZNNSEXWJDCM-UHFFFAOYSA-N -1 0 375.450 2.517 50 0 GFAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002093508 570940451 /nfs/dbraw/zinc/94/04/51/570940451.db2.gz QRDQSTNEKCZZRI-VOJFVSQTSA-N -1 0 375.421 2.658 50 0 GFAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c2oc1=O ZINC000002107997 570948719 /nfs/dbraw/zinc/94/87/19/570948719.db2.gz DXOPKKWFXXMZGM-BBRMVZONSA-N -1 0 375.421 2.711 50 0 GFAARM COc1cc2oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c2cc1Cl ZINC000002117256 570952830 /nfs/dbraw/zinc/95/28/30/570952830.db2.gz VWNDBRXFVVTKKM-AWEZNQCLSA-N -1 0 395.839 2.921 50 0 GFAARM Cc1c(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002145929 570971079 /nfs/dbraw/zinc/97/10/79/570971079.db2.gz WZACOJCZXJKVRA-SFHVURJKSA-N -1 0 387.432 2.584 50 0 GFAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000007728413 571025382 /nfs/dbraw/zinc/02/53/82/571025382.db2.gz JZPPCDJPCMKXPD-AWEZNQCLSA-N -1 0 378.425 2.535 50 0 GFAARM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000262313262 601085767 /nfs/dbraw/zinc/08/57/67/601085767.db2.gz QDASAAHYLRTRFO-CQSZACIVSA-N -1 0 386.370 2.648 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3nncn3C)c2)c1C ZINC000031776984 601321513 /nfs/dbraw/zinc/32/15/13/601321513.db2.gz DBZONKVGZODASF-UHFFFAOYSA-N -1 0 386.433 2.598 50 0 GFAARM O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)[N-]S(=O)(=O)c1cccs1 ZINC000098054799 655039080 /nfs/dbraw/zinc/03/90/80/655039080.db2.gz NTZXYOOWDBVOTM-ARJAWSKDSA-N -1 0 385.850 2.691 50 0 GFAARM O=C(/C=C\c1ccccc1Cl)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000222095101 222604782 /nfs/dbraw/zinc/60/47/82/222604782.db2.gz OVZLBNIXIFPNTP-YVMONPNESA-N -1 0 379.821 2.630 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@H]2CCN(c3cc(F)cc(F)c3)C2=O)cc1C(=O)[O-] ZINC000299753058 222784721 /nfs/dbraw/zinc/78/47/21/222784721.db2.gz WRLWAFDCPPFITE-OAHLLOKOSA-N -1 0 392.358 2.576 50 0 GFAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)NC1CCCCC1 ZINC000009762017 212239674 /nfs/dbraw/zinc/23/96/74/212239674.db2.gz IVJACAPWXXLHSI-UHFFFAOYSA-N -1 0 387.914 2.992 50 0 GFAARM O=C([O-])CCC(=O)N1CCN(c2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 ZINC000001070866 212213846 /nfs/dbraw/zinc/21/38/46/212213846.db2.gz IQXAVFVMIUTGOU-UHFFFAOYSA-N -1 0 384.407 2.570 50 0 GFAARM O=S(=O)([N-]C[C@](O)(c1ccsc1)c1ccco1)c1c(F)cccc1F ZINC000253470879 212136346 /nfs/dbraw/zinc/13/63/46/212136346.db2.gz ADLODNXJHIENLC-INIZCTEOSA-N -1 0 385.413 2.834 50 0 GFAARM O=C1N[C@H](c2ccsc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000227190247 212115779 /nfs/dbraw/zinc/11/57/79/212115779.db2.gz ICEPCWLFVBBDPY-CWSCBRNRSA-N -1 0 376.381 2.914 50 0 GFAARM Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000334160798 212108191 /nfs/dbraw/zinc/10/81/91/212108191.db2.gz MMYGAJTXMHZSQP-GOSISDBHSA-N -1 0 381.407 2.879 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000109621840 212098842 /nfs/dbraw/zinc/09/88/42/212098842.db2.gz QGNCXYLSNKFWOJ-CYBMUJFWSA-N -1 0 396.281 2.821 50 0 GFAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C)C(=O)[O-])oc1c3CCCC1 ZINC000002105532 220502499 /nfs/dbraw/zinc/50/24/99/220502499.db2.gz BYZHIYDJQGXYJS-NSHDSACASA-N -1 0 383.400 2.858 50 0 GFAARM CCC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000002706977 220554415 /nfs/dbraw/zinc/55/44/15/220554415.db2.gz ZGGJPTVJWJDKKR-LLVKDONJSA-N -1 0 398.699 2.894 50 0 GFAARM COc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1Br ZINC000008715005 221051520 /nfs/dbraw/zinc/05/15/20/221051520.db2.gz ZSWVJIFHGFSXLC-UHFFFAOYSA-N -1 0 386.223 2.957 50 0 GFAARM CC(C)Cn1c(SCc2ccc(C(=O)[O-])cc2)nnc1N1CCOCC1 ZINC000009500846 221082415 /nfs/dbraw/zinc/08/24/15/221082415.db2.gz CALJSDGEMCALLN-UHFFFAOYSA-N -1 0 376.482 2.761 50 0 GFAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)[n-]c2=O)cc1 ZINC000011340506 221114118 /nfs/dbraw/zinc/11/41/18/221114118.db2.gz HKBYGZKPJRKUMO-UHFFFAOYSA-N -1 0 384.436 2.934 50 0 GFAARM O=C([N-]n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccccc1F ZINC000011665744 221120418 /nfs/dbraw/zinc/12/04/18/221120418.db2.gz VLXBLVYJSQYETB-UHFFFAOYSA-N -1 0 383.770 2.759 50 0 GFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000012584307 221209652 /nfs/dbraw/zinc/20/96/52/221209652.db2.gz ZDTRQSDLIFVKQG-UHFFFAOYSA-N -1 0 376.434 2.853 50 0 GFAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCOCC3)cc2)s1 ZINC000013848936 221291636 /nfs/dbraw/zinc/29/16/36/221291636.db2.gz UPHRVSUNPRYSFN-UHFFFAOYSA-N -1 0 394.518 2.513 50 0 GFAARM O=C([O-])C=CC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000017080988 221378232 /nfs/dbraw/zinc/37/82/32/221378232.db2.gz HJNJRRFFZDRRDS-OFAQMXQXSA-N -1 0 396.424 2.690 50 0 GFAARM CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000033078524 221771305 /nfs/dbraw/zinc/77/13/05/221771305.db2.gz ZZENPYKZERXCBZ-UHFFFAOYSA-N -1 0 397.431 2.916 50 0 GFAARM O=C(CCc1nnc(-c2cccc(F)c2)[n-]c1=O)N1CCc2ccccc2C1 ZINC000034768571 221805274 /nfs/dbraw/zinc/80/52/74/221805274.db2.gz YXMZMEVUPHWVAO-UHFFFAOYSA-N -1 0 378.407 2.901 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nnc(C)o3)cs2)cc(OC)c1 ZINC000065098525 222100063 /nfs/dbraw/zinc/10/00/63/222100063.db2.gz ATAJXVTYTPMKCO-UHFFFAOYSA-N -1 0 381.435 2.925 50 0 GFAARM O=C(C1CC1)N1CCc2sc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C1 ZINC000065196219 222110065 /nfs/dbraw/zinc/11/00/65/222110065.db2.gz XWYVDYJLJNLHAA-UHFFFAOYSA-N -1 0 380.466 2.983 50 0 GFAARM CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000059423870 222057446 /nfs/dbraw/zinc/05/74/46/222057446.db2.gz NBBKZWIBQWCICP-UHFFFAOYSA-N -1 0 395.408 2.591 50 0 GFAARM CCN(CC)c1ncc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000064843430 222084708 /nfs/dbraw/zinc/08/47/08/222084708.db2.gz OJJVPAKAAXCJAB-UHFFFAOYSA-N -1 0 391.449 2.629 50 0 GFAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000064980642 222092355 /nfs/dbraw/zinc/09/23/55/222092355.db2.gz LQEWFSYWCQLWGA-UHFFFAOYSA-N -1 0 376.409 2.722 50 0 GFAARM COc1cc([C@@H]2CC(=O)Nc3cc(OCC(=O)[O-])ccc32)cc(Cl)c1O ZINC000065422847 222130382 /nfs/dbraw/zinc/13/03/82/222130382.db2.gz YIWCKBMGQSKOAM-LBPRGKRZSA-N -1 0 377.780 2.992 50 0 GFAARM O=C([O-])CSc1nnc(-c2cc(C3CC3)[nH]n2)n1-c1ccc(F)cc1F ZINC000067446551 222145976 /nfs/dbraw/zinc/14/59/76/222145976.db2.gz BFFKNBDGBRXOQC-UHFFFAOYSA-N -1 0 377.376 2.990 50 0 GFAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1C(=O)[O-] ZINC000069510527 222175327 /nfs/dbraw/zinc/17/53/27/222175327.db2.gz WCZQJCUIJBFQGG-UHFFFAOYSA-N -1 0 389.433 2.778 50 0 GFAARM Cc1cc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)ccc1F ZINC000071746585 222188405 /nfs/dbraw/zinc/18/84/05/222188405.db2.gz ZRYYQCMDOJCLSC-UHFFFAOYSA-N -1 0 379.409 2.520 50 0 GFAARM CN1c2ccccc2[C@](CC(=O)NC(C)(C)C(=O)[O-])(Cc2ccccc2)C1=O ZINC000071760817 222193829 /nfs/dbraw/zinc/19/38/29/222193829.db2.gz HAAMLNGHEURTRY-JOCHJYFZSA-N -1 0 380.444 2.513 50 0 GFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc([C@H](C)OC)cc2)c1 ZINC000071771465 222195993 /nfs/dbraw/zinc/19/59/93/222195993.db2.gz VQVYWMRPCHQABQ-ZDUSSCGKSA-N -1 0 393.461 2.684 50 0 GFAARM CCn1c(SCC(=O)[O-])nnc1[C@H](NC(=O)c1ccccc1F)C(C)C ZINC000072328141 222228649 /nfs/dbraw/zinc/22/86/49/222228649.db2.gz DRDAHRFSTCGDKF-CQSZACIVSA-N -1 0 380.445 2.741 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccn2)c1 ZINC000072401620 222253401 /nfs/dbraw/zinc/25/34/01/222253401.db2.gz WLTKJXRFHDXHSQ-UHFFFAOYSA-N -1 0 397.778 2.728 50 0 GFAARM Cc1ccc(C)c(CC(=O)N2CC3(C[C@H]2C(=O)[O-])CCN(C(=O)C2CC2)CC3)c1 ZINC000072412209 222257649 /nfs/dbraw/zinc/25/76/49/222257649.db2.gz ASECGHUKRFRTCV-IBGZPJMESA-N -1 0 398.503 2.550 50 0 GFAARM COC(=O)[C@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095093051 222329962 /nfs/dbraw/zinc/32/99/62/222329962.db2.gz GVVDKFNHFXLOQY-SFHVURJKSA-N -1 0 383.400 2.932 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000268953177 526291682 /nfs/dbraw/zinc/29/16/82/526291682.db2.gz USAGAUPNLUZWAI-COXVUDFISA-N -1 0 383.448 2.902 50 0 GFAARM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 ZINC000003325318 551092756 /nfs/dbraw/zinc/09/27/56/551092756.db2.gz XJRKYXPKSMXFMZ-LLVKDONJSA-N -1 0 377.315 2.737 50 0 GFAARM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@H]2CCCc3cccc1c32 ZINC000161965540 551601203 /nfs/dbraw/zinc/60/12/03/551601203.db2.gz RHPMRRLJDGHEIL-YPMHNXCESA-N -1 0 378.475 2.773 50 0 GFAARM Cc1cc(CCC(=O)N(CC(=O)[O-])C[C@H]2CCCO2)ccc1Br ZINC000170592060 551635518 /nfs/dbraw/zinc/63/55/18/551635518.db2.gz UISGMKWCTKRWHA-CQSZACIVSA-N -1 0 384.270 2.782 50 0 GFAARM O=S(=O)([N-]C[C@@](O)(c1ccco1)c1cccs1)c1c(F)cccc1F ZINC000225589372 553059494 /nfs/dbraw/zinc/05/94/94/553059494.db2.gz MKWXHDBTEZUFNN-MRXNPFEDSA-N -1 0 385.413 2.834 50 0 GFAARM O=C([O-])[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000263094161 553182018 /nfs/dbraw/zinc/18/20/18/553182018.db2.gz SZGILBBFOWULMO-SNVBAGLBSA-N -1 0 379.214 2.573 50 0 GFAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)C1 ZINC000299742821 563390763 /nfs/dbraw/zinc/39/07/63/563390763.db2.gz KSNHMXBOGXHBJH-DZGCQCFKSA-N -1 0 381.270 2.519 50 0 GFAARM C[C@H]1OCCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000668293229 565638561 /nfs/dbraw/zinc/63/85/61/565638561.db2.gz WSZGOPQVSJKABJ-CAPXZKIUSA-N -1 0 396.281 2.891 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000109621827 570212583 /nfs/dbraw/zinc/21/25/83/570212583.db2.gz GKUFIPPTHYHOSM-ZDUSSCGKSA-N -1 0 396.281 2.821 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000236584240 570245389 /nfs/dbraw/zinc/24/53/89/570245389.db2.gz NGFUGRNZFWRUQL-IRXDYDNUSA-N -1 0 386.473 2.916 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000003268295 570335120 /nfs/dbraw/zinc/33/51/20/570335120.db2.gz PLNZCUGLUFJRDT-INIZCTEOSA-N -1 0 396.852 2.793 50 0 GFAARM NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)cc1 ZINC000003363378 570343000 /nfs/dbraw/zinc/34/30/00/570343000.db2.gz ORHZXARCLXXEMO-UHFFFAOYSA-N -1 0 389.458 2.828 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000072401979 570344924 /nfs/dbraw/zinc/34/49/24/570344924.db2.gz JEHSCBCQZGWNPH-UHFFFAOYSA-N -1 0 376.328 2.941 50 0 GFAARM O=C([O-])c1ccc(CCC(=O)NCc2ccccc2CN2CCCC2=O)cc1 ZINC000238067798 570422957 /nfs/dbraw/zinc/42/29/57/570422957.db2.gz NJXIUTHRLYFJTK-UHFFFAOYSA-N -1 0 380.444 2.756 50 0 GFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000005956143 570463037 /nfs/dbraw/zinc/46/30/37/570463037.db2.gz ZROWFOVAOFZGNF-UHFFFAOYSA-N -1 0 382.397 2.993 50 0 GFAARM CCC1(CC)[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C[C@@H]1OC ZINC000133270257 570468045 /nfs/dbraw/zinc/46/80/45/570468045.db2.gz MRXTWPOBAHMLPT-CABCVRRESA-N -1 0 375.494 2.546 50 0 GFAARM Cc1nonc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000253181819 570527243 /nfs/dbraw/zinc/52/72/43/570527243.db2.gz HJWRMLQQDLSNPV-IBGZPJMESA-N -1 0 393.399 2.912 50 0 GFAARM Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000269129670 570527480 /nfs/dbraw/zinc/52/74/80/570527480.db2.gz AOYHVMRDIYZAQU-GOSISDBHSA-N -1 0 387.457 2.658 50 0 GFAARM C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000005354430 570559958 /nfs/dbraw/zinc/55/99/58/570559958.db2.gz IOZCMLNKCHMITF-CQSZACIVSA-N -1 0 376.453 2.545 50 0 GFAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)nc2scc(C)n2c1=O ZINC000006784756 570590992 /nfs/dbraw/zinc/59/09/92/570590992.db2.gz RTBUSRFAXSCXRZ-UHFFFAOYSA-N -1 0 379.463 2.572 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCO1 ZINC000262419346 570671233 /nfs/dbraw/zinc/67/12/33/570671233.db2.gz PYYGEWYVHLBGFR-AWEZNQCLSA-N -1 0 399.230 2.893 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2ccc(Cn3cncn3)cc2)cc1Cl ZINC000032592293 570679036 /nfs/dbraw/zinc/67/90/36/570679036.db2.gz GSOOSMJNKNPNMW-UHFFFAOYSA-N -1 0 378.841 2.789 50 0 GFAARM O=C([O-])COc1ccc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)cc1 ZINC000032595699 570679927 /nfs/dbraw/zinc/67/99/27/570679927.db2.gz CRAXYIBZZXEEKE-UHFFFAOYSA-N -1 0 383.372 2.570 50 0 GFAARM O=C([O-])COc1ccc(S(=O)(=O)N2CCCc3c(F)cc(F)cc32)cc1 ZINC000032598217 570679978 /nfs/dbraw/zinc/67/99/78/570679978.db2.gz BOSNMWORHGNCSH-UHFFFAOYSA-N -1 0 383.372 2.570 50 0 GFAARM O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc2c(c1)CCC2 ZINC000006919719 570704443 /nfs/dbraw/zinc/70/44/43/570704443.db2.gz KZKUFDGPKFLSNW-UHFFFAOYSA-N -1 0 387.429 2.972 50 0 GFAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1cccs1 ZINC000086066911 570735531 /nfs/dbraw/zinc/73/55/31/570735531.db2.gz BCPYXGXXVOYVRC-UHFFFAOYSA-N -1 0 395.444 2.643 50 0 GFAARM Cc1nn(-c2ccccc2)cc1C(=O)N[C@@](C)(COc1ccccc1)C(=O)[O-] ZINC000170044603 570792574 /nfs/dbraw/zinc/79/25/74/570792574.db2.gz FHYMXHKUIOAMHM-NRFANRHFSA-N -1 0 379.416 2.833 50 0 GFAARM CCC(CC)(CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000170066855 570799689 /nfs/dbraw/zinc/79/96/89/570799689.db2.gz FJVIJUGSNNCVNH-GDBMZVCRSA-N -1 0 380.872 2.867 50 0 GFAARM CCCc1cc(=O)n2[n-]cc(C(=O)NCc3cccc(C(F)(F)F)c3)c2n1 ZINC000101275734 570818187 /nfs/dbraw/zinc/81/81/87/570818187.db2.gz PRIUMIUAQFUETG-UHFFFAOYSA-N -1 0 378.354 2.924 50 0 GFAARM COc1ccc(C)cc1C1(CNC(=O)c2ccc(C(=O)[O-])nc2)CCOCC1 ZINC000299741313 570823739 /nfs/dbraw/zinc/82/37/39/570823739.db2.gz DQVDMALEJAYBSY-UHFFFAOYSA-N -1 0 384.432 2.575 50 0 GFAARM COc1cccc(-c2noc(-c3c([O-])c4ccccc4n(C)c3=O)n2)c1OC ZINC000101725681 570831767 /nfs/dbraw/zinc/83/17/67/570831767.db2.gz SCTYWFLKAKILSW-UHFFFAOYSA-N -1 0 379.372 2.978 50 0 GFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)n1 ZINC000101893866 570838259 /nfs/dbraw/zinc/83/82/59/570838259.db2.gz AHBTYLPGLAGZAV-SJORKVTESA-N -1 0 388.387 2.538 50 0 GFAARM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1csc(-c2ccccc2F)n1 ZINC000102139098 570841765 /nfs/dbraw/zinc/84/17/65/570841765.db2.gz QSRFZGHFHVAAJM-NSHDSACASA-N -1 0 384.454 2.578 50 0 GFAARM COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(O)=C23)c1OC ZINC000102545330 570850720 /nfs/dbraw/zinc/85/07/20/570850720.db2.gz NCPIHPKANQWILO-VQIMIIECSA-N -1 0 380.400 2.613 50 0 GFAARM Cn1c(=O)c2ccc(C(=O)N(CC(F)F)C[C@H]3CCC=CO3)cc2[n-]c1=S ZINC000170600579 570858709 /nfs/dbraw/zinc/85/87/09/570858709.db2.gz GXUGOEPFKWIZLX-GFCCVEGCSA-N -1 0 395.431 2.622 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(Cl)c4)c=3c2=O)c1 ZINC000102819725 570865877 /nfs/dbraw/zinc/86/58/77/570865877.db2.gz MGUJVDAUKDCIKE-CVEARBPZSA-N -1 0 386.795 2.855 50 0 GFAARM Cc1nnc(NC(=O)c2cccc(NC(=O)Cc3ccccc3C(=O)[O-])c2)s1 ZINC000071284077 570887253 /nfs/dbraw/zinc/88/72/53/570887253.db2.gz DOPKATGNGQVPIC-UHFFFAOYSA-N -1 0 396.428 2.978 50 0 GFAARM Cc1c(C)c2ccc(OCC(=O)NCCCCCC(=O)[O-])c(C)c2oc1=O ZINC000002093715 570940505 /nfs/dbraw/zinc/94/05/05/570940505.db2.gz GHTHWEHZNXQSEU-UHFFFAOYSA-N -1 0 375.421 2.858 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCO1 ZINC000238123403 570945781 /nfs/dbraw/zinc/94/57/81/570945781.db2.gz PYYGEWYVHLBGFR-CQSZACIVSA-N -1 0 399.230 2.893 50 0 GFAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CCC)C(=O)[O-])ccc12 ZINC000002107438 570948517 /nfs/dbraw/zinc/94/85/17/570948517.db2.gz ZHIQLSFZHQGMGB-INIZCTEOSA-N -1 0 375.421 2.884 50 0 GFAARM CC(C)c1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000004742769 570956951 /nfs/dbraw/zinc/95/69/51/570956951.db2.gz MUBGUUXDHCFYLH-HNAYVOBHSA-N -1 0 382.460 2.740 50 0 GFAARM Cc1cc(Cl)ccc1NC(=O)N1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000095365857 571058010 /nfs/dbraw/zinc/05/80/10/571058010.db2.gz DMMMWKXBMOVFNP-ZDUSSCGKSA-N -1 0 379.844 2.578 50 0 GFAARM Cc1ccccc1-c1ccccc1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] ZINC000095386975 571070857 /nfs/dbraw/zinc/07/08/57/571070857.db2.gz UYBADMCYUHFHRT-LJQANCHMSA-N -1 0 392.455 2.858 50 0 GFAARM CCOc1cc2c(cc1/C=C\C(=O)N(CC(=O)[O-])C1CCOCC1)O[C@@H](C)C2 ZINC000606441979 600957634 /nfs/dbraw/zinc/95/76/34/600957634.db2.gz ICPCRSPDHVTYHA-WSNITJDQSA-N -1 0 389.448 2.514 50 0 GFAARM O=C([O-])[C@H](CNC(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1ccccc1 ZINC000095425564 601072715 /nfs/dbraw/zinc/07/27/15/601072715.db2.gz QJIVUTOXZBQCSK-CTWPCTMYSA-N -1 0 386.492 2.836 50 0 GFAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)CCO1 ZINC000584908403 602392152 /nfs/dbraw/zinc/39/21/52/602392152.db2.gz HOSRNZYYOXIVJT-FMNNIJNLSA-N -1 0 377.746 2.988 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cn3ccc(C)cc3n2)cc1OC ZINC000262340636 604664730 /nfs/dbraw/zinc/66/47/30/604664730.db2.gz CHSHIVCFFLFHJG-AWEZNQCLSA-N -1 0 383.404 2.606 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccnc(Cl)c2)cc1N(C)C ZINC000089644162 655008209 /nfs/dbraw/zinc/00/82/09/655008209.db2.gz BLSGSQZGBRIVQM-FNORWQNLSA-N -1 0 379.869 2.628 50 0 GFAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)c3ccn(-c4cccc(Cl)c4)n3)C2)c1 ZINC000095453982 230990158 /nfs/dbraw/zinc/99/01/58/230990158.db2.gz YOVMAIVMJBTDFK-MRXNPFEDSA-N -1 0 399.838 2.898 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000001004666 212204835 /nfs/dbraw/zinc/20/48/35/212204835.db2.gz AQIVPSVSVZFJBT-UHFFFAOYSA-N -1 0 390.461 2.652 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1OC ZINC000000785736 212180887 /nfs/dbraw/zinc/18/08/87/212180887.db2.gz KSOJQCYDHTYHFL-UHFFFAOYSA-N -1 0 390.461 2.741 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)N(C[C@H]2CCCO2)C[C@@H]2CC=CCC2)cc1 ZINC000227170233 212116014 /nfs/dbraw/zinc/11/60/14/212116014.db2.gz QSAIKWFLQNXUQZ-NVXWUHKLSA-N -1 0 379.478 2.911 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000221906853 212115160 /nfs/dbraw/zinc/11/51/60/212115160.db2.gz BRKODXKTUZABBD-KWCYVHTRSA-N -1 0 375.812 2.817 50 0 GFAARM COC(=O)c1cnc([N-]S(=O)(=O)c2cccc3cccnc32)c(Cl)c1 ZINC000328594138 212082973 /nfs/dbraw/zinc/08/29/73/212082973.db2.gz UPNOPALSVOBUIB-UHFFFAOYSA-N -1 0 377.809 2.871 50 0 GFAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCC(=O)[O-])ccc12 ZINC000002153142 220507439 /nfs/dbraw/zinc/50/74/39/220507439.db2.gz ZZYQVDPDIJIGIT-CYBMUJFWSA-N -1 0 375.421 2.884 50 0 GFAARM CC(C)[C@@H](C(=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000005633355 220887691 /nfs/dbraw/zinc/88/76/91/220887691.db2.gz AKFSMLYJKZHSPM-WKXIVMOISA-N -1 0 375.424 2.988 50 0 GFAARM CCOc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1 ZINC000009245765 221075508 /nfs/dbraw/zinc/07/55/08/221075508.db2.gz ASQQKOXUKNTCNF-JOCHJYFZSA-N -1 0 393.443 2.655 50 0 GFAARM CC(C)c1ccc(-c2nnc(NC(=O)CCn3[n-]c(=O)ccc3=O)s2)cc1 ZINC000009765887 221091887 /nfs/dbraw/zinc/09/18/87/221091887.db2.gz KEWAPLVJGNKPKY-UHFFFAOYSA-N -1 0 385.449 2.620 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000012664388 221217693 /nfs/dbraw/zinc/21/76/93/221217693.db2.gz XBTFOTKXOMULDL-MMPTUQATSA-N -1 0 393.871 2.566 50 0 GFAARM COC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000012755461 221225596 /nfs/dbraw/zinc/22/55/96/221225596.db2.gz OGZIDBJTEPAANP-CYBMUJFWSA-N -1 0 380.441 2.700 50 0 GFAARM Cc1cccc(OCCNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000013234887 221264055 /nfs/dbraw/zinc/26/40/55/221264055.db2.gz ZDFKRNREIUUUEB-IBGZPJMESA-N -1 0 381.432 2.850 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000013427026 221267840 /nfs/dbraw/zinc/26/78/40/221267840.db2.gz KBCJNDFCYGPYBL-GOSISDBHSA-N -1 0 382.416 2.768 50 0 GFAARM COc1cccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccccc2)c1 ZINC000015836521 221347165 /nfs/dbraw/zinc/34/71/65/221347165.db2.gz NHWUPNMSKRQMCW-UHFFFAOYSA-N -1 0 383.429 2.678 50 0 GFAARM CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)CCCC(=O)[O-] ZINC000015932698 221352106 /nfs/dbraw/zinc/35/21/06/221352106.db2.gz CGODKYPWTDDNEI-UHFFFAOYSA-N -1 0 398.481 2.909 50 0 GFAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCCC[C@H]32)C(=O)N1c1ccccc1 ZINC000247965001 136192970 /nfs/dbraw/zinc/19/29/70/136192970.db2.gz YXXRVSYQDSBZML-PGRDOPGGSA-N -1 0 375.428 2.871 50 0 GFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1 ZINC000065128954 222101664 /nfs/dbraw/zinc/10/16/64/222101664.db2.gz DIDVCNGXCXKKRG-UHFFFAOYSA-N -1 0 391.474 2.627 50 0 GFAARM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(Br)cc2)s1 ZINC000065183560 222107676 /nfs/dbraw/zinc/10/76/76/222107676.db2.gz SMARNKWVNQCYNW-UHFFFAOYSA-N -1 0 387.284 2.971 50 0 GFAARM Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(C)c1OCC(=O)[O-] ZINC000058283288 222046855 /nfs/dbraw/zinc/04/68/55/222046855.db2.gz WEPTYJFZSKSAKH-UHFFFAOYSA-N -1 0 389.351 2.985 50 0 GFAARM NC(=O)c1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc2)n1 ZINC000058244440 222047584 /nfs/dbraw/zinc/04/75/84/222047584.db2.gz KWYLQKJLQSJBPK-UHFFFAOYSA-N -1 0 394.815 2.565 50 0 GFAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-n2cnc(-c3ccccc3)c2)c1 ZINC000072133093 222211050 /nfs/dbraw/zinc/21/10/50/222211050.db2.gz JYTKETCEVKGCCM-UHFFFAOYSA-N -1 0 385.445 2.924 50 0 GFAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)c1cccc(OC(F)F)c1)C2 ZINC000072469622 222262944 /nfs/dbraw/zinc/26/29/44/222262944.db2.gz QMCVIYBQXQWHMM-UHFFFAOYSA-N -1 0 379.363 2.548 50 0 GFAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@@H]1OCCc2ccsc21 ZINC000089346576 222327539 /nfs/dbraw/zinc/32/75/39/222327539.db2.gz ADBXTJHCFBKPNH-LBPRGKRZSA-N -1 0 375.475 2.709 50 0 GFAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cn1ccnc1-c1ccccc1 ZINC000095504131 222335378 /nfs/dbraw/zinc/33/53/78/222335378.db2.gz SDPKELOGJNCVAG-UHFFFAOYSA-N -1 0 379.445 2.507 50 0 GFAARM CCCCn1c2nc(-c3ccc(C(=O)[O-])cc3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000095951444 222364414 /nfs/dbraw/zinc/36/44/14/222364414.db2.gz NFEKKOSSYGICMX-UHFFFAOYSA-N -1 0 384.436 2.708 50 0 GFAARM CC(C)Cn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(N)=O)c1=O ZINC000100742103 222461421 /nfs/dbraw/zinc/46/14/21/222461421.db2.gz YXLISILCXUHTEZ-UHFFFAOYSA-N -1 0 379.416 2.714 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(F)cc4Cl)c=3c2=O)cc1 ZINC000101167074 222468624 /nfs/dbraw/zinc/46/86/24/222468624.db2.gz PRSJIFVAKDZPGC-JKSUJKDBSA-N -1 0 388.786 2.981 50 0 GFAARM Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](c2ccnn2CC(=O)[O-])C1 ZINC000426441760 534596779 /nfs/dbraw/zinc/59/67/79/534596779.db2.gz LBNDIDKVPBXMOK-MRXNPFEDSA-N -1 0 394.431 2.951 50 0 GFAARM Cc1ncc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)c(=O)[nH]1 ZINC000426361050 534728912 /nfs/dbraw/zinc/72/89/12/534728912.db2.gz BTUZJTFJUXFHKL-QYWGDWMGSA-N -1 0 381.432 2.601 50 0 GFAARM COc1ccccc1/C=C(/C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000268937739 524311761 /nfs/dbraw/zinc/31/17/61/524311761.db2.gz CRPAFDIJMDTHGO-UIMCMNAESA-N -1 0 381.428 2.938 50 0 GFAARM CC(C)(C)OC(=O)N1CCN(c2cccnc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000169725733 534840807 /nfs/dbraw/zinc/84/08/07/534840807.db2.gz XNVGCNCBHUXDDH-NSHDSACASA-N -1 0 375.347 2.611 50 0 GFAARM O=C(CCCCCn1c(=S)[n-]c2ccsc2c1=O)NC[C@H]1CCCO1 ZINC000003059182 551092244 /nfs/dbraw/zinc/09/22/44/551092244.db2.gz HRGAISBRVVLTGR-GFCCVEGCSA-N -1 0 381.523 2.976 50 0 GFAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1cccc(F)c1 ZINC000004853630 551095060 /nfs/dbraw/zinc/09/50/60/551095060.db2.gz IGQOGVZVOJSNAT-UHFFFAOYSA-N -1 0 383.401 2.807 50 0 GFAARM CC(C)C1C(=O)N=C(SCC(=O)Nc2nc3ccccc3s2)N=C1[O-] ZINC000005095308 551096467 /nfs/dbraw/zinc/09/64/67/551096467.db2.gz LUYGWWINNSILMX-UHFFFAOYSA-N -1 0 376.463 2.939 50 0 GFAARM CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1nc(=O)c2sccc2[n-]1 ZINC000005263242 551097199 /nfs/dbraw/zinc/09/71/99/551097199.db2.gz GCANEARDNHTWAC-UHFFFAOYSA-N -1 0 377.447 2.978 50 0 GFAARM COc1cccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000026527311 551121972 /nfs/dbraw/zinc/12/19/72/551121972.db2.gz XFRZSCLZZBVXKG-UHFFFAOYSA-N -1 0 375.855 2.553 50 0 GFAARM CCn1c(=O)c(C(=O)Nc2ncc(Br)cn2)c([O-])c2ccccc21 ZINC000170624587 551636136 /nfs/dbraw/zinc/63/61/36/551636136.db2.gz BNVZVZBHIASHJG-UHFFFAOYSA-N -1 0 389.209 2.532 50 0 GFAARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ncoc1-c1ccccc1Cl ZINC000170645652 551637020 /nfs/dbraw/zinc/63/70/20/551637020.db2.gz FGZUFUCHEIFDEB-LLVKDONJSA-N -1 0 384.841 2.624 50 0 GFAARM CCN(C1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1)S(C)(=O)=O ZINC000175226124 552118404 /nfs/dbraw/zinc/11/84/04/552118404.db2.gz IDPSNECNJZSQQJ-UHFFFAOYSA-N -1 0 395.308 2.585 50 0 GFAARM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000237033344 553073648 /nfs/dbraw/zinc/07/36/48/553073648.db2.gz HRYFPMRHNKMMQK-LBPRGKRZSA-N -1 0 378.837 2.977 50 0 GFAARM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C1CCOCC1 ZINC000238105469 553086344 /nfs/dbraw/zinc/08/63/44/553086344.db2.gz GLCSTPAHHQSDFF-GJZGRUSLSA-N -1 0 382.254 2.645 50 0 GFAARM CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)c2cc(Br)cnc21 ZINC000373544602 563341710 /nfs/dbraw/zinc/34/17/10/563341710.db2.gz CHLDMOIZKLMPIT-MKMNVTDBSA-N -1 0 389.205 2.825 50 0 GFAARM COc1cc(C2=N/C(=C\c3ccc(C(=O)[O-])cc3)C(=O)O2)cc(OC)c1OC ZINC000006049212 570224549 /nfs/dbraw/zinc/22/45/49/570224549.db2.gz LMUCMCMOFNTVJV-ZSOIEALJSA-N -1 0 383.356 2.755 50 0 GFAARM CC1CCN(S(=O)(=O)c2ccc(-n3[n-]c(=O)c4ccccc4c3=O)cc2)CC1 ZINC000020096329 570238940 /nfs/dbraw/zinc/23/89/40/570238940.db2.gz FMEPKIZGRLTSBV-UHFFFAOYSA-N -1 0 399.472 2.512 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000236582253 570245371 /nfs/dbraw/zinc/24/53/71/570245371.db2.gz SGPVXEUUHMPDTF-LEWJYISDSA-N -1 0 392.455 2.561 50 0 GFAARM Cc1scc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])c1-c1ccccc1 ZINC000220220368 570261631 /nfs/dbraw/zinc/26/16/31/570261631.db2.gz KVKGNVIRHIQJFM-CVEARBPZSA-N -1 0 375.446 2.712 50 0 GFAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000236823303 570262951 /nfs/dbraw/zinc/26/29/51/570262951.db2.gz OHVSZIBBSYUBAX-SFTDATJTSA-N -1 0 390.439 2.989 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4C)c=3c2=O)cc1 ZINC000100032943 570265147 /nfs/dbraw/zinc/26/51/47/570265147.db2.gz QVWZEBGDOSYVPZ-MOPGFXCFSA-N -1 0 391.431 2.544 50 0 GFAARM CC[C@@H]1COCCN1C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000236921569 570303569 /nfs/dbraw/zinc/30/35/69/570303569.db2.gz VZPVMZIALWPLGX-GFCCVEGCSA-N -1 0 397.353 2.840 50 0 GFAARM O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000005771781 570341026 /nfs/dbraw/zinc/34/10/26/570341026.db2.gz HGPWQDDDTMITAN-UHFFFAOYSA-N -1 0 388.445 2.858 50 0 GFAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 ZINC000238072978 570422799 /nfs/dbraw/zinc/42/27/99/570422799.db2.gz RPMIHXFKJMZSDI-UHFFFAOYSA-N -1 0 390.443 2.585 50 0 GFAARM Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)[O-])c12 ZINC000026421279 570425588 /nfs/dbraw/zinc/42/55/88/570425588.db2.gz RPANQLKFUJMVSR-AWEZNQCLSA-N -1 0 385.445 2.773 50 0 GFAARM CCOc1ncccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000027585264 570437106 /nfs/dbraw/zinc/43/71/06/570437106.db2.gz LSXULOPMWKRVLH-UHFFFAOYSA-N -1 0 398.444 2.928 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000006502337 570459779 /nfs/dbraw/zinc/45/97/79/570459779.db2.gz PESWVSSXXOAXDT-UHFFFAOYSA-N -1 0 396.831 2.928 50 0 GFAARM CCCOc1ccc(-c2nc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000268963779 570496462 /nfs/dbraw/zinc/49/64/62/570496462.db2.gz BCVWUTHGPNYMQF-OAHLLOKOSA-N -1 0 376.434 2.525 50 0 GFAARM COc1ccc(-c2nn(-c3ccccc3)cc2CNC(=O)/C=C/C(=O)[O-])cc1 ZINC000002628659 570501233 /nfs/dbraw/zinc/50/12/33/570501233.db2.gz WJXXOGVWGFPWFH-VAWYXSNFSA-N -1 0 377.400 2.805 50 0 GFAARM CCCc1cc2c(nc(C)n([N-]C(=O)c3cc(C(F)(F)F)n(C)n3)c2=O)s1 ZINC000002780528 570516110 /nfs/dbraw/zinc/51/61/10/570516110.db2.gz YXZCEONCNPJCSG-UHFFFAOYSA-N -1 0 399.398 2.855 50 0 GFAARM CCn1cc(S(=O)(=O)[N-]c2ccn(Cc3ccc(Cl)cc3)n2)c(C)n1 ZINC000002792666 570518176 /nfs/dbraw/zinc/51/81/76/570518176.db2.gz GXZLAVXKHAAJSZ-UHFFFAOYSA-N -1 0 379.873 2.910 50 0 GFAARM COc1ccc2c(C)c(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc2c1C ZINC000006825372 570624438 /nfs/dbraw/zinc/62/44/38/570624438.db2.gz CQNDWRCAXXGMFD-MRXNPFEDSA-N -1 0 389.448 2.967 50 0 GFAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]Cc3ccccc3Cl)c(=O)n12 ZINC000006823661 570624802 /nfs/dbraw/zinc/62/48/02/570624802.db2.gz VSPNBUXZOABUHJ-UHFFFAOYSA-N -1 0 383.882 2.505 50 0 GFAARM COc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000036393850 570678677 /nfs/dbraw/zinc/67/86/77/570678677.db2.gz HIGCMTPLSKRTQZ-UHFFFAOYSA-N -1 0 399.428 2.782 50 0 GFAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2ccc(SC)cc2)cc2c(=O)[nH]nc1-2 ZINC000524734997 570772472 /nfs/dbraw/zinc/77/24/72/570772472.db2.gz YBUURTRAYUPCLT-AWEZNQCLSA-N -1 0 387.417 2.661 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000100889762 570779250 /nfs/dbraw/zinc/77/92/50/570779250.db2.gz FQJXTMSMRXNBOF-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(O)=C23)c1OC ZINC000101277346 570818175 /nfs/dbraw/zinc/81/81/75/570818175.db2.gz PCDURQKMNADLGK-PBHICJAKSA-N -1 0 386.791 2.650 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(C)cc4)c=3c2=O)cc1OC ZINC000101418201 570822747 /nfs/dbraw/zinc/82/27/47/570822747.db2.gz IQIDBTPSMGTYLJ-ROUUACIJSA-N -1 0 380.404 2.506 50 0 GFAARM CCCCn1c(=O)c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c([O-])[nH]c1=S ZINC000101495381 570825525 /nfs/dbraw/zinc/82/55/25/570825525.db2.gz XZKDAGIFSHCVQG-NSHDSACASA-N -1 0 388.449 2.579 50 0 GFAARM Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC000004539303 570850675 /nfs/dbraw/zinc/85/06/75/570850675.db2.gz WRVGHOLOTZMSPI-UHFFFAOYSA-N -1 0 383.433 2.708 50 0 GFAARM O=C(N[C@@H](Cc1ccccc1)C(=O)[N-]OC[C@H]1CCOC1)OCc1ccccc1 ZINC000170607696 570864676 /nfs/dbraw/zinc/86/46/76/570864676.db2.gz NEGGOQDKIWGWFP-PMACEKPBSA-N -1 0 398.459 2.608 50 0 GFAARM CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)CCC(=O)[O-])c1C ZINC000003889515 570885367 /nfs/dbraw/zinc/88/53/67/570885367.db2.gz PDWGSEIOSVMLSC-UHFFFAOYSA-N -1 0 376.409 2.795 50 0 GFAARM COc1ccc(CCc2nnc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)s2)cc1 ZINC000071288145 570889203 /nfs/dbraw/zinc/88/92/03/570889203.db2.gz PONUFCKSIQBZKF-KBPBESRZSA-N -1 0 375.450 2.627 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3ccccc3oc2=O)cc1OC ZINC000004581003 570911451 /nfs/dbraw/zinc/91/14/51/570911451.db2.gz MRZOHXVESLCTCR-HNNXBMFYSA-N -1 0 397.383 2.756 50 0 GFAARM Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cccc(-c2cncc(C(=O)[O-])n2)c1 ZINC000534661115 570917710 /nfs/dbraw/zinc/91/77/10/570917710.db2.gz BZJLCZIJELVPGZ-NSHDSACASA-N -1 0 379.420 2.683 50 0 GFAARM CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000002106095 570948237 /nfs/dbraw/zinc/94/82/37/570948237.db2.gz ISVVUANIJIHQHR-JPVKTXQWSA-N -1 0 396.443 2.834 50 0 GFAARM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000002148094 570972192 /nfs/dbraw/zinc/97/21/92/570972192.db2.gz WRYNFKDCCOOQAP-XJKSGUPXSA-N -1 0 375.421 2.937 50 0 GFAARM COc1ccc([C@H](C(=O)[O-])N2CCN(Cc3csc(C)n3)CC2)c(C)c1 ZINC000095359699 571054645 /nfs/dbraw/zinc/05/46/45/571054645.db2.gz HWDIUSBJIRWAAD-GOSISDBHSA-N -1 0 375.494 2.712 50 0 GFAARM CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000095424977 600488685 /nfs/dbraw/zinc/48/86/85/600488685.db2.gz MKORJBMVBJHVNJ-KRWDZBQOSA-N -1 0 386.473 2.804 50 0 GFAARM COc1ccc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)cc1C(=O)[O-] ZINC000055586517 600542762 /nfs/dbraw/zinc/54/27/62/600542762.db2.gz AGBHVSDGZJFARY-UHFFFAOYSA-N -1 0 383.372 2.813 50 0 GFAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000299750067 600858802 /nfs/dbraw/zinc/85/88/02/600858802.db2.gz MOQLHKWNQSQHGD-UHFFFAOYSA-N -1 0 387.823 2.840 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)nc1 ZINC000035557087 654610863 /nfs/dbraw/zinc/61/08/63/654610863.db2.gz XKHQOGRDTHRRGZ-UHFFFAOYSA-N -1 0 376.463 3.570 50 0 GFAARM O=C([O-])c1ccccc1C=NNC(=O)COc1cccc(Br)c1 ZINC000254846342 655435864 /nfs/dbraw/zinc/43/58/64/655435864.db2.gz WPFHOTRZZIDSJV-UHFFFAOYSA-N -1 0 377.194 2.676 50 0 GFAARM COCc1c(C(=O)N(CC(=O)[O-])C2CCOCC2)sc2cccc(F)c21 ZINC000408513325 231047956 /nfs/dbraw/zinc/04/79/56/231047956.db2.gz RDAHWJMSHGXASG-UHFFFAOYSA-N -1 0 381.425 2.893 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCc1nc(-c2ccsc2)no1 ZINC000299750573 222784326 /nfs/dbraw/zinc/78/43/26/222784326.db2.gz NXYMNPMZMWOGSA-HNNXBMFYSA-N -1 0 383.429 2.769 50 0 GFAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000001481430 212247508 /nfs/dbraw/zinc/24/75/08/212247508.db2.gz GNWBADHWYSYMBL-UHFFFAOYSA-N -1 0 387.465 2.786 50 0 GFAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2ccc(OC(F)F)cc2)C1=O ZINC000001126711 212220441 /nfs/dbraw/zinc/22/04/41/212220441.db2.gz NTXUOUQVJJRNGM-GFCCVEGCSA-N -1 0 394.355 2.805 50 0 GFAARM CCc1ccc(-n2c(=O)[nH]c([O-])c(Cc3ccc(OC)cc3OC)c2=O)cc1 ZINC000001088838 212216170 /nfs/dbraw/zinc/21/61/70/212216170.db2.gz NFQNHGBLQCRMRK-QGZVFWFLSA-N -1 0 382.416 2.708 50 0 GFAARM CC(=O)Nc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000001058800 212211150 /nfs/dbraw/zinc/21/11/50/212211150.db2.gz ZDCZXHYKEDGPMY-INIZCTEOSA-N -1 0 384.413 2.767 50 0 GFAARM CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000940333 212196766 /nfs/dbraw/zinc/19/67/66/212196766.db2.gz IIYSHQJDIJQHLK-JKSUJKDBSA-N -1 0 382.482 2.547 50 0 GFAARM CCOC(=O)c1c2c(sc1NC(=O)c1nccnc1C(=O)[O-])CCCC2 ZINC000000754199 212179728 /nfs/dbraw/zinc/17/97/28/212179728.db2.gz DTUJELMVBNOSPP-UHFFFAOYSA-N -1 0 375.406 2.544 50 0 GFAARM C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)C1=O ZINC000013428009 212098953 /nfs/dbraw/zinc/09/89/53/212098953.db2.gz DCHUISHEHHPLIQ-GOEBONIOSA-N -1 0 382.416 2.523 50 0 GFAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000007977223 221017336 /nfs/dbraw/zinc/01/73/36/221017336.db2.gz XPKBZADFHOGLDV-UHFFFAOYSA-N -1 0 389.477 2.656 50 0 GFAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)CCO3)s1 ZINC000008961617 221065701 /nfs/dbraw/zinc/06/57/01/221065701.db2.gz ZESKQBFYPWUKFA-UHFFFAOYSA-N -1 0 380.491 2.966 50 0 GFAARM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1OC ZINC000008488989 221042594 /nfs/dbraw/zinc/04/25/94/221042594.db2.gz QZMQAMWXOTYECC-XPSMFNQNSA-N -1 0 391.445 2.841 50 0 GFAARM Cc1ccc(-c2nc(SCC(N)=O)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000011695914 221121643 /nfs/dbraw/zinc/12/16/43/221121643.db2.gz WHGKBPIRMLSTTD-UHFFFAOYSA-N -1 0 387.486 2.795 50 0 GFAARM Cc1nc(C(=O)Nc2nc(CC(=O)[O-])cs2)nn1-c1ccc(Cl)cc1 ZINC000012941124 221249406 /nfs/dbraw/zinc/24/94/06/221249406.db2.gz OHETXAKKZWAOPO-UHFFFAOYSA-N -1 0 377.813 2.565 50 0 GFAARM O=C([O-])c1ccccc1SCC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000012976507 221251009 /nfs/dbraw/zinc/25/10/09/221251009.db2.gz DPNKOPZVYHATPF-UHFFFAOYSA-N -1 0 390.486 2.523 50 0 GFAARM CCCCc1c(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C)[nH]c1=O ZINC000013407919 221267882 /nfs/dbraw/zinc/26/78/82/221267882.db2.gz ARYVQJZJPKLYDU-UHFFFAOYSA-N -1 0 378.454 2.652 50 0 GFAARM CC(C)(C)OC(=O)N[C@@H](Cc1cn(C(=O)OCc2ccccc2)cn1)C(=O)[O-] ZINC000015721343 221341728 /nfs/dbraw/zinc/34/17/28/221341728.db2.gz NKTFPUKOHGSCSS-HNNXBMFYSA-N -1 0 389.408 2.588 50 0 GFAARM CCOC(=O)[C@H](Sc1nnnn1-c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000015869156 221350825 /nfs/dbraw/zinc/35/08/25/221350825.db2.gz WXTFHOXAMGMETE-OAHLLOKOSA-N -1 0 384.417 2.757 50 0 GFAARM CCc1c(C)sc(NC(=O)CCC(=O)[O-])c1C(=O)NCc1cccnc1 ZINC000017076788 221375675 /nfs/dbraw/zinc/37/56/75/221375675.db2.gz KRKKALSUHQYMEP-UHFFFAOYSA-N -1 0 375.450 2.747 50 0 GFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 ZINC000017076987 221375930 /nfs/dbraw/zinc/37/59/30/221375930.db2.gz WKSIYLJMSIUWGQ-RYUDHWBXSA-N -1 0 376.478 2.959 50 0 GFAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCOCC1 ZINC000023079878 221581368 /nfs/dbraw/zinc/58/13/68/221581368.db2.gz TXHHQBZCASOGCY-UHFFFAOYSA-N -1 0 386.882 2.675 50 0 GFAARM COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000035686282 221833497 /nfs/dbraw/zinc/83/34/97/221833497.db2.gz WCVTZBPEJRDJKH-HNNXBMFYSA-N -1 0 375.421 2.658 50 0 GFAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N(C)c1ccc(F)c(F)c1 ZINC000057008187 222028910 /nfs/dbraw/zinc/02/89/10/222028910.db2.gz WKMCGWZUDASLJR-XBXARRHUSA-N -1 0 383.372 2.896 50 0 GFAARM Cc1cc(C)cc(N(C)S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1 ZINC000053669637 222011598 /nfs/dbraw/zinc/01/15/98/222011598.db2.gz HQOWEVDGENPCEU-UHFFFAOYSA-N -1 0 377.418 2.598 50 0 GFAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCc2ccc(Cl)cc21 ZINC000058495779 222054339 /nfs/dbraw/zinc/05/43/39/222054339.db2.gz JVYCRYXWESGBKN-UHFFFAOYSA-N -1 0 381.837 2.727 50 0 GFAARM O=C([O-])c1nn(Cc2ccccn2)c2c1CN(C(=O)/C=C/c1ccccc1)CC2 ZINC000067883804 222164779 /nfs/dbraw/zinc/16/47/79/222164779.db2.gz GHLCHPAVLXDLCD-MDZDMXLPSA-N -1 0 388.427 2.623 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1C[C@@H]1c1ccccc1F ZINC000069574011 222174011 /nfs/dbraw/zinc/17/40/11/222174011.db2.gz XKXXUWNIVBDHOF-HUUCEWRRSA-N -1 0 391.420 2.596 50 0 GFAARM Cc1c2c(cc(=O)n1Cc1ccc3c(c1)OCCO3)[n-]n(-c1ccccc1)c2=O ZINC000071405510 222183758 /nfs/dbraw/zinc/18/37/58/222183758.db2.gz JZAFEWIVUTUGRE-UHFFFAOYSA-N -1 0 389.411 2.608 50 0 GFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cccc([C@H](C)OC)c2)c1 ZINC000071639312 222186327 /nfs/dbraw/zinc/18/63/27/222186327.db2.gz NLGBOVINZLDKMQ-ZDUSSCGKSA-N -1 0 393.461 2.684 50 0 GFAARM Cc1cnc2c(C(=O)N3CCC[C@@H](Cc4ccc(C(=O)[O-])cc4)C3)cnn2c1 ZINC000072156892 222213081 /nfs/dbraw/zinc/21/30/81/222213081.db2.gz YXRRCFUUVBSYKB-INIZCTEOSA-N -1 0 378.432 2.831 50 0 GFAARM CN(C)c1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(N(C)C)n1 ZINC000096098781 222380271 /nfs/dbraw/zinc/38/02/71/222380271.db2.gz DJTWYSXOESYKBC-UHFFFAOYSA-N -1 0 390.296 2.716 50 0 GFAARM O=S(=O)([N-]c1cnn([C@H]2CCOC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000096123265 222383578 /nfs/dbraw/zinc/38/35/78/222383578.db2.gz ABIHQTQKQZEGHY-NSHDSACASA-N -1 0 377.344 2.544 50 0 GFAARM O=C(c1snc2c1nc([O-])n(C1CC1)c2=O)N1CC=C(c2ccccc2)CC1 ZINC000097088647 222435401 /nfs/dbraw/zinc/43/54/01/222435401.db2.gz BOPZQXGDIOJCSV-UHFFFAOYSA-N -1 0 394.456 2.823 50 0 GFAARM O=C([O-])c1ccc(NCN2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC000004531767 534545485 /nfs/dbraw/zinc/54/54/85/534545485.db2.gz IDXSPIHRFAVGGQ-UHFFFAOYSA-N -1 0 375.178 2.813 50 0 GFAARM COc1cc(CCC(=O)N2CC[C@H](C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000269201717 522324914 /nfs/dbraw/zinc/32/49/14/522324914.db2.gz RKSGBEIZSBFFDE-LBPRGKRZSA-N -1 0 375.343 2.502 50 0 GFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Br)cc1 ZINC000003109919 551091990 /nfs/dbraw/zinc/09/19/90/551091990.db2.gz YTQLPFOFYAZLCD-OAHLLOKOSA-N -1 0 378.222 2.640 50 0 GFAARM CSCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000003344297 551092604 /nfs/dbraw/zinc/09/26/04/551092604.db2.gz YULHIEVRMYVKRU-UHFFFAOYSA-N -1 0 380.495 2.586 50 0 GFAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)s1 ZINC000005075763 551096458 /nfs/dbraw/zinc/09/64/58/551096458.db2.gz JUUXXLFCDREZNB-UHFFFAOYSA-N -1 0 386.520 2.651 50 0 GFAARM O=S(=O)([N-]c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1Cl ZINC000005075767 551096489 /nfs/dbraw/zinc/09/64/89/551096489.db2.gz HFSHCPUAQZILEW-UHFFFAOYSA-N -1 0 386.882 2.681 50 0 GFAARM O=S(=O)([N-]c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1F ZINC000005250698 551096966 /nfs/dbraw/zinc/09/69/66/551096966.db2.gz UFBUVXGJROPERF-UHFFFAOYSA-N -1 0 384.454 2.557 50 0 GFAARM O=C([O-])c1ccc(NC(=O)[C@H]2Cc3cc(Br)ccc3C(=O)O2)cc1 ZINC000005303362 551097257 /nfs/dbraw/zinc/09/72/57/551097257.db2.gz CTAKMTTXCBPNFV-CQSZACIVSA-N -1 0 390.189 2.868 50 0 GFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000032768718 551131768 /nfs/dbraw/zinc/13/17/68/551131768.db2.gz SFGDLMBKQGIUNU-MRXNPFEDSA-N -1 0 381.837 2.781 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000299741148 563390838 /nfs/dbraw/zinc/39/08/38/563390838.db2.gz DBYDPCSAQFOMFK-SECBINFHSA-N -1 0 379.210 2.640 50 0 GFAARM Cc1nc(=NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)o2)s[n-]1 ZINC000526052297 564717901 /nfs/dbraw/zinc/71/79/01/564717901.db2.gz UAJOTUUOXVDKKK-UHFFFAOYSA-N -1 0 383.838 2.600 50 0 GFAARM CO[C@@](C)(C(=O)[O-])C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000663034531 565393666 /nfs/dbraw/zinc/39/36/66/565393666.db2.gz GZEXKFZBDKGJGN-IUODEOHRSA-N -1 0 380.199 2.522 50 0 GFAARM O=C([O-])c1cnn(CC(=O)N2CCC[C@H]2c2ccccc2Br)c1 ZINC000630298473 565894052 /nfs/dbraw/zinc/89/40/52/565894052.db2.gz GDHPAEQKBCHIMC-AWEZNQCLSA-N -1 0 378.226 2.708 50 0 GFAARM CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000632137526 568278214 /nfs/dbraw/zinc/27/82/14/568278214.db2.gz OGYUCMXXCXPNTJ-JSGCOSHPSA-N -1 0 388.917 2.607 50 0 GFAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048345685 570240822 /nfs/dbraw/zinc/24/08/22/570240822.db2.gz IPWWKHYJTAHHNY-UHFFFAOYSA-N -1 0 375.233 2.902 50 0 GFAARM Cc1ccc(-c2cc(C(=O)N3C[C@@H](C(=O)[O-])[C@H](c4ccccn4)C3)[nH]n2)cc1 ZINC000097785483 570256044 /nfs/dbraw/zinc/25/60/44/570256044.db2.gz ZACNIXOGWNESHW-HZPDHXFCSA-N -1 0 376.416 2.721 50 0 GFAARM CC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100074416 570258973 /nfs/dbraw/zinc/25/89/73/570258973.db2.gz FDNWFVRBCSOHLB-FUHWJXTLSA-N -1 0 381.819 2.972 50 0 GFAARM O=C([O-])CC1(CNC(=O)Cn2nc(-c3cccs3)ccc2=O)CCCCC1 ZINC000049544472 570268689 /nfs/dbraw/zinc/26/86/89/570268689.db2.gz WEJZIXZXTHLYCV-UHFFFAOYSA-N -1 0 389.477 2.513 50 0 GFAARM COc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000485513661 570281368 /nfs/dbraw/zinc/28/13/68/570281368.db2.gz FREGXHBLIRTQPX-HUUCEWRRSA-N -1 0 383.400 2.585 50 0 GFAARM CC(C)(C)OC(=O)N[C@H](Cc1cccc(I)c1)C(=O)[O-] ZINC000002385540 570285430 /nfs/dbraw/zinc/28/54/30/570285430.db2.gz MPTBEGFNTNOLNZ-LLVKDONJSA-N -1 0 391.205 2.812 50 0 GFAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC(=O)[O-])OC(C)(C)CC3 ZINC000012900871 570288267 /nfs/dbraw/zinc/28/82/67/570288267.db2.gz YAKSZKJQYJZKGJ-UHFFFAOYSA-N -1 0 387.432 2.729 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)N(C[C@H]2CCCO2)C[C@H]2CC=CCC2)cc1 ZINC000000798929 570339721 /nfs/dbraw/zinc/33/97/21/570339721.db2.gz QSAIKWFLQNXUQZ-DOTOQJQBSA-N -1 0 379.478 2.911 50 0 GFAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000003997656 570353736 /nfs/dbraw/zinc/35/37/36/570353736.db2.gz BGLYOXKPCXRWNJ-UHFFFAOYSA-N -1 0 385.401 2.856 50 0 GFAARM COC(=Nc1ccncc1)C1c2ccccc2[C@H](C(=O)[O-])NC([N+](=O)[O-])=C1C ZINC000135655690 570371374 /nfs/dbraw/zinc/37/13/74/570371374.db2.gz OBYOLRXUEJTTEV-BJYOTHFNSA-N -1 0 382.376 2.746 50 0 GFAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000237728551 570392010 /nfs/dbraw/zinc/39/20/10/570392010.db2.gz YFMHPUXJLTZJEY-INIZCTEOSA-N -1 0 391.855 2.930 50 0 GFAARM Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237735548 570392567 /nfs/dbraw/zinc/39/25/67/570392567.db2.gz VHRWTJPZKVLFJM-CQSZACIVSA-N -1 0 384.461 2.525 50 0 GFAARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3C[C@H]3c3cccnc3)cc(Cl)c2O1 ZINC000242339245 570432454 /nfs/dbraw/zinc/43/24/54/570432454.db2.gz ZGEQMSSRRRYPOO-WKPIXPDZSA-N -1 0 392.864 2.667 50 0 GFAARM C[C@@H](C(=O)NC1CCCC1)N1CCc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2C1 ZINC000223154605 570447378 /nfs/dbraw/zinc/44/73/78/570447378.db2.gz NEKFNYWSUDMKSY-ZDUSSCGKSA-N -1 0 382.464 2.580 50 0 GFAARM CC(C)[C@H]1Cc2c(sc3c2-c2n[n-]c(=S)n2-c2nnc(S)n2-3)CO1 ZINC000005897302 570460703 /nfs/dbraw/zinc/46/07/03/570460703.db2.gz MUGLCSNKZBMAQY-SSDOTTSWSA-N -1 0 378.508 2.938 50 0 GFAARM C[C@@H]1Sc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])cc2NC1=O ZINC000268941792 570482982 /nfs/dbraw/zinc/48/29/82/570482982.db2.gz KGZUSBNZMWLPRH-ZBEGNZNMSA-N -1 0 382.441 2.771 50 0 GFAARM CCn1cc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3Cl)n2)c(C)n1 ZINC000002793291 570518014 /nfs/dbraw/zinc/51/80/14/570518014.db2.gz YSPBDPXWCJTMQO-UHFFFAOYSA-N -1 0 379.873 2.910 50 0 GFAARM COc1c(-n2nc3ccccc3n2)cc(C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000041107910 570615487 /nfs/dbraw/zinc/61/54/87/570615487.db2.gz HYPVJYCYHYJKRM-UHFFFAOYSA-N -1 0 395.444 2.933 50 0 GFAARM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)nc2scc(C)n2c1=O ZINC000006823687 570623667 /nfs/dbraw/zinc/62/36/67/570623667.db2.gz YHSVSQGARACEMW-OAHLLOKOSA-N -1 0 391.518 2.672 50 0 GFAARM CC(=O)N1CC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000685945001 570675293 /nfs/dbraw/zinc/67/52/93/570675293.db2.gz NOOVMPHDEKBWLV-QFIPXVFZSA-N -1 0 394.427 2.601 50 0 GFAARM O=C([O-])COc1ccc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cc1 ZINC000032591668 570678967 /nfs/dbraw/zinc/67/89/67/570678967.db2.gz QYZKXTFRBPFDMY-UHFFFAOYSA-N -1 0 383.372 2.570 50 0 GFAARM O=C([O-])c1cnc2c(c1)n(Cc1ccncc1)c(=O)n2Cc1ccc(F)cc1 ZINC000055041906 570679722 /nfs/dbraw/zinc/67/97/22/570679722.db2.gz NLOVTZLGSXNDSN-UHFFFAOYSA-N -1 0 378.363 2.527 50 0 GFAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007051232 570770708 /nfs/dbraw/zinc/77/07/08/570770708.db2.gz YDMVIKRMIYZLCP-UHFFFAOYSA-N -1 0 392.433 2.616 50 0 GFAARM CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1C ZINC000007056802 570774961 /nfs/dbraw/zinc/77/49/61/570774961.db2.gz PJZHPWTZFJHMRY-UHFFFAOYSA-N -1 0 388.536 2.888 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000101260671 570817589 /nfs/dbraw/zinc/81/75/89/570817589.db2.gz AKVYBWSAHWGHLN-JKSUJKDBSA-N -1 0 386.795 2.855 50 0 GFAARM O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000033141049 570827756 /nfs/dbraw/zinc/82/77/56/570827756.db2.gz ZGWGZUBQRKUDOS-SNVBAGLBSA-N -1 0 389.868 2.888 50 0 GFAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC[C@@H]3CCCO3)cc2[n-]c1=S ZINC000102043474 570839531 /nfs/dbraw/zinc/83/95/31/570839531.db2.gz KVFUDCGVNDOCDO-JSGCOSHPSA-N -1 0 375.494 2.783 50 0 GFAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 ZINC000071285018 570887918 /nfs/dbraw/zinc/88/79/18/570887918.db2.gz SSWOZPFKLMNSIF-UHFFFAOYSA-N -1 0 395.459 2.990 50 0 GFAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000032907179 570907925 /nfs/dbraw/zinc/90/79/25/570907925.db2.gz PLDMNSBWUOZMFA-UHFFFAOYSA-N -1 0 385.391 2.756 50 0 GFAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC000032915912 570926891 /nfs/dbraw/zinc/92/68/91/570926891.db2.gz IYTBBBLRVOYGMP-UHFFFAOYSA-N -1 0 388.323 2.686 50 0 GFAARM Cc1cc(OCC(=O)N2CCC(C(=O)[O-])CC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002120432 570955934 /nfs/dbraw/zinc/95/59/34/570955934.db2.gz BBYMKSSAUUNUNH-UHFFFAOYSA-N -1 0 399.443 2.682 50 0 GFAARM CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCCCC(=O)[O-])c12 ZINC000002123745 570956602 /nfs/dbraw/zinc/95/66/02/570956602.db2.gz GPPCSJURVVPHJK-ZDUSSCGKSA-N -1 0 375.421 2.802 50 0 GFAARM COc1ccc2[nH]cc(CC(=O)[N-]S(=O)(=O)Cc3ccc(C)cc3C)c2c1 ZINC000252498877 570976874 /nfs/dbraw/zinc/97/68/74/570976874.db2.gz ROTHMFCALHGEQZ-UHFFFAOYSA-N -1 0 386.473 2.982 50 0 GFAARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000170656455 571000213 /nfs/dbraw/zinc/00/02/13/571000213.db2.gz FJAOQBNQJUESER-CQSZACIVSA-N -1 0 392.452 2.880 50 0 GFAARM Cn1nc(CN2CCCn3nc(CCC(=O)[O-])cc3C2)c2c1cccc2Cl ZINC000095370322 571060864 /nfs/dbraw/zinc/06/08/64/571060864.db2.gz GCXKADRUVXZVHL-UHFFFAOYSA-N -1 0 387.871 2.846 50 0 GFAARM Nc1nc2c(c(C(=O)N3CCC[C@H](c4cccc(C(=O)[O-])c4)C3)n1)CCCC2 ZINC000095370332 571060884 /nfs/dbraw/zinc/06/08/84/571060884.db2.gz NNGHVYNMQRADCH-HNNXBMFYSA-N -1 0 380.448 2.656 50 0 GFAARM O=C([O-])COc1cccc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000095424352 600123367 /nfs/dbraw/zinc/12/33/67/600123367.db2.gz FAGXYMCQRDPPAO-QGZVFWFLSA-N -1 0 383.400 2.899 50 0 GFAARM COc1ccccc1/C=C(\C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000606441834 601739234 /nfs/dbraw/zinc/73/92/34/601739234.db2.gz CRPAFDIJMDTHGO-UZNZLNSGSA-N -1 0 381.428 2.938 50 0 GFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000191051575 602036277 /nfs/dbraw/zinc/03/62/77/602036277.db2.gz GDOAEKXKLXIJBG-CQSZACIVSA-N -1 0 379.766 2.879 50 0 GFAARM COc1ccc(F)c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C(=O)[O-] ZINC000095451676 655029283 /nfs/dbraw/zinc/02/92/83/655029283.db2.gz DXLUUNSJIDCHBF-UHFFFAOYSA-N -1 0 384.772 2.858 50 0 GFAARM CC(C)(C)OC(=O)NCC1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000225802710 222697641 /nfs/dbraw/zinc/69/76/41/222697641.db2.gz OMPSQUMSJPWIDV-UHFFFAOYSA-N -1 0 375.878 2.879 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N3CCO[C@H]4CCC[C@H]43)cc2)c(C)c1CCC(=O)[O-] ZINC000299746646 222782325 /nfs/dbraw/zinc/78/23/25/222782325.db2.gz YVXKKGSKINHTRP-UXHICEINSA-N -1 0 397.475 2.900 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000000994036 212202245 /nfs/dbraw/zinc/20/22/45/212202245.db2.gz NFGVLNFHAGTNRM-UHFFFAOYSA-N -1 0 397.250 2.526 50 0 GFAARM CC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000000939610 212197264 /nfs/dbraw/zinc/19/72/64/212197264.db2.gz VZCJBBLUDCCECI-SNVBAGLBSA-N -1 0 384.672 2.504 50 0 GFAARM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000913151 212195954 /nfs/dbraw/zinc/19/59/54/212195954.db2.gz GUSNFKWSVZOYDR-UHFFFAOYSA-N -1 0 398.444 2.603 50 0 GFAARM O=C(NC[C@@H]1CCCO1)c1cc(Br)cc(Br)c1[O-] ZINC000000607905 212163715 /nfs/dbraw/zinc/16/37/15/212163715.db2.gz INGVKLACODHWHI-QMMMGPOBSA-N -1 0 379.048 2.826 50 0 in-man GFAARM CC(=O)Nc1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000096792791 212156622 /nfs/dbraw/zinc/15/66/22/212156622.db2.gz SPOSVIXOTGWBCM-UVTDQMKNSA-N -1 0 375.384 2.997 50 0 GFAARM COc1cc(/C=C/C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc2c1OCCO2 ZINC000328595083 212082175 /nfs/dbraw/zinc/08/21/75/212082175.db2.gz KIVPPJFAAIJTTJ-SNAWJCMRSA-N -1 0 387.388 2.738 50 0 GFAARM CSCC[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002200928 220508247 /nfs/dbraw/zinc/50/82/47/220508247.db2.gz JQOCZYXSNHPMAR-SKQHNDAPSA-N -1 0 398.484 2.780 50 0 GFAARM Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(N)=O ZINC000002739738 220557980 /nfs/dbraw/zinc/55/79/80/220557980.db2.gz LRKPYDZVBOBEDJ-WDEREUQCSA-N -1 0 396.465 2.550 50 0 GFAARM Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000008036087 221025041 /nfs/dbraw/zinc/02/50/41/221025041.db2.gz QEBHFVPHLQNSEZ-UHFFFAOYSA-N -1 0 392.462 2.730 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1S(N)(=O)=O ZINC000008111030 221027567 /nfs/dbraw/zinc/02/75/67/221027567.db2.gz SLYBDJTXMGFCEJ-UHFFFAOYSA-N -1 0 395.289 2.750 50 0 GFAARM COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000008473686 221042010 /nfs/dbraw/zinc/04/20/10/221042010.db2.gz BWYMGXYAXXHOGE-ZDUSSCGKSA-N -1 0 399.399 2.927 50 0 GFAARM CCOc1c(Br)cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000013170821 221263295 /nfs/dbraw/zinc/26/32/95/221263295.db2.gz FRVALPWKRJPZOO-JTQLQIEISA-N -1 0 386.242 2.793 50 0 GFAARM O=C1[N-]C(=O)[C@@]2(Cc3cccc(F)c3N3CCC[C@H]32)C(=O)N1c1ccccc1 ZINC000013591555 221275386 /nfs/dbraw/zinc/27/53/86/221275386.db2.gz VGPPNMJOTXACEX-KKSFZXQISA-N -1 0 379.391 2.620 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCCC(=O)[O-] ZINC000013571771 221273986 /nfs/dbraw/zinc/27/39/86/221273986.db2.gz IQUWPODREXZPKM-GTNSWQLSSA-N -1 0 393.871 2.567 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2s1 ZINC000013569462 221274039 /nfs/dbraw/zinc/27/40/39/221274039.db2.gz JABLITMWWSXURH-UHFFFAOYSA-N -1 0 391.430 2.649 50 0 GFAARM COc1cc(/C=C2\SC(=O)N(CCCC(=O)[O-])C2=O)cc(OC)c1OC ZINC000013769402 221288271 /nfs/dbraw/zinc/28/82/71/221288271.db2.gz WVJIZXHAXSCGID-LCYFTJDESA-N -1 0 381.406 2.614 50 0 GFAARM COCC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(C)c1 ZINC000015862134 221349732 /nfs/dbraw/zinc/34/97/32/221349732.db2.gz KBMBNDSMQLEHAE-UHFFFAOYSA-N -1 0 391.474 2.990 50 0 GFAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 ZINC000017076988 221376133 /nfs/dbraw/zinc/37/61/33/221376133.db2.gz WKSIYLJMSIUWGQ-VXGBXAGGSA-N -1 0 376.478 2.959 50 0 GFAARM CC[C@]1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3[n-]cnc1=O ZINC000018187751 221388567 /nfs/dbraw/zinc/38/85/67/221388567.db2.gz IRXSIBLJBNTOAF-LJQANCHMSA-N -1 0 386.477 2.611 50 0 GFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(Cl)cc2c1OCOC2 ZINC000018263378 221391170 /nfs/dbraw/zinc/39/11/70/221391170.db2.gz KZNWTHPCTHIODE-UHFFFAOYSA-N -1 0 397.836 2.935 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000299748212 132425163 /nfs/dbraw/zinc/42/51/63/132425163.db2.gz GLSGUAJSANSXMY-SFHVURJKSA-N -1 0 399.878 2.990 50 0 GFAARM CSc1ccc2c(C)cc(N3CCC4(CC3)NC(=O)C[C@@H]4C(=O)[O-])nc2c1 ZINC000095386225 136178769 /nfs/dbraw/zinc/17/87/69/136178769.db2.gz GEFFBKUXDDYAOZ-OAHLLOKOSA-N -1 0 385.489 2.825 50 0 GFAARM O=C(CSc1nc(=O)c2sccc2[n-]1)Nc1ccc2c(c1)OCCO2 ZINC000057477625 222033241 /nfs/dbraw/zinc/03/32/41/222033241.db2.gz ZOZZNNIGCIIVQQ-UHFFFAOYSA-N -1 0 375.431 2.899 50 0 GFAARM Cc1cc(C)c(CCNC(=O)c2cccc(-n3[n-]c(=O)ccc3=O)c2)c(C)c1 ZINC000061407976 222061787 /nfs/dbraw/zinc/06/17/87/222061787.db2.gz VASPMYVZMNABCZ-UHFFFAOYSA-N -1 0 377.444 2.836 50 0 GFAARM CC(C)CC(=O)Nc1ccc(N2CCCN(c3ncccn3)CC2)cc1C(=O)[O-] ZINC000064588939 222075554 /nfs/dbraw/zinc/07/55/54/222075554.db2.gz PFEGEIYAMWYQNO-UHFFFAOYSA-N -1 0 397.479 2.876 50 0 GFAARM COc1ccccc1NC(=O)c1c([O-])c2cnn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000065249940 222115818 /nfs/dbraw/zinc/11/58/18/222115818.db2.gz LBPACEQKJMOEGH-UHFFFAOYSA-N -1 0 394.362 2.819 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc3n(c2)CCN(CC(C)C)C3=O)cc1F ZINC000065254816 222117878 /nfs/dbraw/zinc/11/78/78/222117878.db2.gz JPTCDWIBQOZNTD-UHFFFAOYSA-N -1 0 379.457 2.848 50 0 GFAARM O=C([O-])C[C@@H]1COCCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000072157831 222212474 /nfs/dbraw/zinc/21/24/74/222212474.db2.gz IWUHEWAXUOZRAB-LJQANCHMSA-N -1 0 378.432 2.610 50 0 GFAARM COc1ccc(-n2nc(C)c3c2[nH]c2nc(=O)[n-]c(=O)c-2c3-c2ccccc2)cc1 ZINC000072332770 222230809 /nfs/dbraw/zinc/23/08/09/222230809.db2.gz UXHGQQKOCGBWJN-UHFFFAOYSA-N -1 0 399.410 2.934 50 0 GFAARM CSCCc1nc([C@@H](NC(C)=O)C(C)C)n(-c2ccccc2C(=O)[O-])n1 ZINC000095504889 222339413 /nfs/dbraw/zinc/33/94/13/222339413.db2.gz FNVSPDKQDQNLDB-INIZCTEOSA-N -1 0 376.482 2.704 50 0 GFAARM O=C([O-])Cc1cc(I)cc(I)c1 ZINC000095760983 222359317 /nfs/dbraw/zinc/35/93/17/222359317.db2.gz HVPNBWJLLIWHGE-UHFFFAOYSA-N -1 0 387.942 2.523 50 0 GFAARM Cc1cc(C2CCC2)nc(N2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(C(=O)[O-])C2)n1 ZINC000096151109 222391468 /nfs/dbraw/zinc/39/14/68/222391468.db2.gz VQJHVVXCTCCVNH-VGOFRKELSA-N -1 0 398.507 2.592 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4C)c=3c2=O)cc1 ZINC000100032939 222456084 /nfs/dbraw/zinc/45/60/84/222456084.db2.gz QVWZEBGDOSYVPZ-OALUTQOASA-N -1 0 391.431 2.544 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000237937626 534527853 /nfs/dbraw/zinc/52/78/53/534527853.db2.gz SRZVEVGRLPUBAK-RBUKOAKNSA-N -1 0 382.391 2.733 50 0 GFAARM Cc1c([C@H](C)OC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)sc2ncnn12 ZINC000004060324 551094593 /nfs/dbraw/zinc/09/45/93/551094593.db2.gz VTWBTQAYISBOSG-NSHDSACASA-N -1 0 380.451 2.584 50 0 GFAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1ccc(F)cc1 ZINC000004853636 551094845 /nfs/dbraw/zinc/09/48/45/551094845.db2.gz INQSSANZAMKKEP-UHFFFAOYSA-N -1 0 383.401 2.807 50 0 GFAARM Cc1ccccc1NC(=O)CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1 ZINC000004853605 551095055 /nfs/dbraw/zinc/09/50/55/551095055.db2.gz NVTXSEQSWUHHIP-UHFFFAOYSA-N -1 0 379.438 2.976 50 0 GFAARM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000006623235 551099756 /nfs/dbraw/zinc/09/97/56/551099756.db2.gz ODLRBQGUFWNUJT-UHFFFAOYSA-N -1 0 379.381 2.910 50 0 GFAARM O=C([O-])c1csc(CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)n1 ZINC000124384477 551313644 /nfs/dbraw/zinc/31/36/44/551313644.db2.gz KKUUUJWRHTWQLG-UHFFFAOYSA-N -1 0 380.853 2.859 50 0 GFAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000238070847 553085691 /nfs/dbraw/zinc/08/56/91/553085691.db2.gz UWXYIWAKVOOKPQ-CQSZACIVSA-N -1 0 380.853 2.994 50 0 GFAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCO1 ZINC000238196253 553086700 /nfs/dbraw/zinc/08/67/00/553086700.db2.gz URBLMGYNROWAIR-SNVBAGLBSA-N -1 0 386.882 2.770 50 0 GFAARM COC(=O)c1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000253433510 553151741 /nfs/dbraw/zinc/15/17/41/553151741.db2.gz XRWXRTCZNZXDBH-UHFFFAOYSA-N -1 0 398.655 2.968 50 0 GFAARM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1 ZINC000048331800 570238361 /nfs/dbraw/zinc/23/83/61/570238361.db2.gz DYNNRKUQIJHXEW-UHFFFAOYSA-N -1 0 379.434 2.746 50 0 GFAARM CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2n(CC)c1=O ZINC000020215046 570248702 /nfs/dbraw/zinc/24/87/02/570248702.db2.gz XTHWACXNMWPXCO-UHFFFAOYSA-N -1 0 375.450 2.652 50 0 GFAARM Cc1cc(C)nc([N-]c2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)n1 ZINC000049032287 570261502 /nfs/dbraw/zinc/26/15/02/570261502.db2.gz XHKKBGDNYUPJHJ-UHFFFAOYSA-N -1 0 383.433 2.952 50 0 GFAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000236823279 570262884 /nfs/dbraw/zinc/26/28/84/570262884.db2.gz OHVSZIBBSYUBAX-LEWJYISDSA-N -1 0 390.439 2.989 50 0 GFAARM CCOc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCCC(=O)[O-])cc1 ZINC000002105792 570274845 /nfs/dbraw/zinc/27/48/45/570274845.db2.gz ZSVALJLSOFXGSV-XDJHFCHBSA-N -1 0 396.443 2.837 50 0 GFAARM Cc1cccc(C(C)C)c1NC(=O)C(=O)c1c(N)[n-]n(-c2ccccc2)c1=O ZINC000100721945 570275197 /nfs/dbraw/zinc/27/51/97/570275197.db2.gz FZYNHJHLTGBGJP-MRXNPFEDSA-N -1 0 378.432 2.561 50 0 GFAARM COc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000485513660 570281236 /nfs/dbraw/zinc/28/12/36/570281236.db2.gz FREGXHBLIRTQPX-GJZGRUSLSA-N -1 0 383.400 2.585 50 0 GFAARM NC(=O)CC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386814 570285367 /nfs/dbraw/zinc/28/53/67/570285367.db2.gz GMXKYUGMPJITQT-ZDUSSCGKSA-N -1 0 382.416 2.634 50 0 GFAARM CCCn1c2ccccc2n(CCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1=O ZINC000237013941 570320519 /nfs/dbraw/zinc/32/05/19/570320519.db2.gz OSUMMBLICSNKKN-MRXNPFEDSA-N -1 0 387.480 2.707 50 0 GFAARM COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2C)cc1 ZINC000004690480 570393499 /nfs/dbraw/zinc/39/34/99/570393499.db2.gz SPLOXFMQZHSKBP-UHFFFAOYSA-N -1 0 398.444 2.920 50 0 GFAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 ZINC000238063217 570422671 /nfs/dbraw/zinc/42/26/71/570422671.db2.gz ZNZBJPAPPGVWFY-UHFFFAOYSA-N -1 0 390.439 2.647 50 0 GFAARM O=C([O-])CCCCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O ZINC000005046826 570425904 /nfs/dbraw/zinc/42/59/04/570425904.db2.gz KKPZLGLERKAWPF-UHFFFAOYSA-N -1 0 396.443 2.917 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000100707230 570435079 /nfs/dbraw/zinc/43/50/79/570435079.db2.gz HMEFWBBNVCXWGL-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM COc1cccc(C[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[n-]2)c1OC ZINC000005488759 570442255 /nfs/dbraw/zinc/44/22/55/570442255.db2.gz BNAOJGXEIVGBQL-MRXNPFEDSA-N -1 0 381.436 2.799 50 0 GFAARM COc1ccc(OC)c(C[C@@H](C(=O)Nc2cc(C)ccc2C)c2nnn[n-]2)c1 ZINC000027829141 570444375 /nfs/dbraw/zinc/44/43/75/570444375.db2.gz RQFAPGPRQNLSHX-MRXNPFEDSA-N -1 0 381.436 2.799 50 0 GFAARM COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccc(C)cc2C)c2nnn[n-]2)c1 ZINC000005681738 570451471 /nfs/dbraw/zinc/45/14/71/570451471.db2.gz QFJWGEGBVMJBEE-MRXNPFEDSA-N -1 0 381.436 2.799 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)cc1OC ZINC000268948296 570489529 /nfs/dbraw/zinc/48/95/29/570489529.db2.gz RDTDHBPDGSFUHU-UZLBHIALSA-N -1 0 399.443 2.956 50 0 GFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NC1CCCCCC1)c2=O ZINC000012415790 570669914 /nfs/dbraw/zinc/66/99/14/570669914.db2.gz RLYIYEHHYBTZMV-UHFFFAOYSA-N -1 0 389.477 2.685 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000262505159 570675427 /nfs/dbraw/zinc/67/54/27/570675427.db2.gz ZGRIUKUQQXXNQF-ZDUSSCGKSA-N -1 0 399.896 2.750 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCc3ccccc32)c(Br)s1 ZINC000032586054 570675719 /nfs/dbraw/zinc/67/57/19/570675719.db2.gz NYXAUKLEFIESQL-UHFFFAOYSA-N -1 0 388.264 2.960 50 0 GFAARM O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000004341993 570677145 /nfs/dbraw/zinc/67/71/45/570677145.db2.gz JHJRATXJEBHTAT-UHFFFAOYSA-N -1 0 383.429 2.900 50 0 GFAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccccc2)cc1 ZINC000086066717 570735614 /nfs/dbraw/zinc/73/56/14/570735614.db2.gz ZAVKPSZVAGFDKG-UHFFFAOYSA-N -1 0 389.415 2.582 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1C ZINC000004484059 570805441 /nfs/dbraw/zinc/80/54/41/570805441.db2.gz RCENVAMDHBFNCK-RTBURBONSA-N -1 0 391.431 2.544 50 0 GFAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)[nH]c1=O ZINC000101495360 570825077 /nfs/dbraw/zinc/82/50/77/570825077.db2.gz XFUFRGHFZUEKRA-INIZCTEOSA-N -1 0 395.440 2.843 50 0 GFAARM COc1cc(OC)cc(-c2noc(-c3c([O-])c4ccccc4n(C)c3=O)n2)c1 ZINC000101725661 570831687 /nfs/dbraw/zinc/83/16/87/570831687.db2.gz FMBSTCLPNFWVML-UHFFFAOYSA-N -1 0 379.372 2.978 50 0 GFAARM O=C1N[C@H](c2cccc(Cl)c2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000101751028 570832712 /nfs/dbraw/zinc/83/27/12/570832712.db2.gz JMWAGBGINOXEHS-WOSRLPQWSA-N -1 0 399.756 2.839 50 0 GFAARM Cc1c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cccc1-n1cnnn1 ZINC000012552499 570856346 /nfs/dbraw/zinc/85/63/46/570856346.db2.gz LROJWEWMQMMPDZ-UHFFFAOYSA-N -1 0 399.354 2.670 50 0 GFAARM O=c1nc2n(c([O-])c1[C@@H]1NCCc3c4cc(Cl)ccc4[nH]c31)CCCS2 ZINC000102709380 570857805 /nfs/dbraw/zinc/85/78/05/570857805.db2.gz LAMXUDKHVPXHAY-HNNXBMFYSA-N -1 0 388.880 2.815 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000102818930 570865330 /nfs/dbraw/zinc/86/53/30/570865330.db2.gz CIRAHGWUCDKOPO-CVEARBPZSA-N -1 0 386.795 2.855 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1OC ZINC000102820614 570865891 /nfs/dbraw/zinc/86/58/91/570865891.db2.gz OIFCTHPZOAEFMR-DLBZAZTESA-N -1 0 384.367 2.649 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 ZINC000071285581 570888348 /nfs/dbraw/zinc/88/83/48/570888348.db2.gz XXBJIQYOJZPTHS-CABCVRRESA-N -1 0 377.404 2.829 50 0 GFAARM Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000042793126 570893383 /nfs/dbraw/zinc/89/33/83/570893383.db2.gz ZJUISDAPDFARJM-UHFFFAOYSA-N -1 0 376.434 2.504 50 0 GFAARM CCOC(=O)/C=C\c1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000104908165 570907982 /nfs/dbraw/zinc/90/79/82/570907982.db2.gz HBLWQLYYBFNKDT-RAXLEYEMSA-N -1 0 388.445 2.887 50 0 GFAARM O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047093049 570940370 /nfs/dbraw/zinc/94/03/70/570940370.db2.gz OHENZBBBHDCJHR-CQSZACIVSA-N -1 0 377.372 2.740 50 0 GFAARM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 ZINC000002139927 570963014 /nfs/dbraw/zinc/96/30/14/570963014.db2.gz HQURCQXSIORDKI-ROUUACIJSA-N -1 0 382.416 2.730 50 0 GFAARM O=C([O-])[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 ZINC000002139931 570963122 /nfs/dbraw/zinc/96/31/22/570963122.db2.gz HQURCQXSIORDKI-ZWKOTPCHSA-N -1 0 382.416 2.730 50 0 GFAARM Cc1ccc(C(=O)Nc2ccc(N(C)C[C@@H]3COCCO3)c(C(=O)[O-])c2)cc1 ZINC000046053538 571015160 /nfs/dbraw/zinc/01/51/60/571015160.db2.gz KPAIZMOFVYYPLE-QGZVFWFLSA-N -1 0 384.432 2.797 50 0 GFAARM CCCn1nccc1S(=O)(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095354797 571051425 /nfs/dbraw/zinc/05/14/25/571051425.db2.gz IXOBFRPYTWOIKK-INIZCTEOSA-N -1 0 377.466 2.560 50 0 GFAARM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)C1 ZINC000417759178 599819142 /nfs/dbraw/zinc/81/91/42/599819142.db2.gz PRDMSQPENQOQAC-CQSZACIVSA-N -1 0 385.395 2.945 50 0 GFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(c(Cl)c2)OCO3)c1 ZINC000039978525 654619456 /nfs/dbraw/zinc/61/94/56/654619456.db2.gz VONLHZQEWQXOPY-UHFFFAOYSA-N -1 0 383.809 2.820 50 0 GFAARM CN(CCCC(=O)[O-])C(=O)/C=C\c1cc(Br)c2c(c1)OCCO2 ZINC000606441119 677674355 /nfs/dbraw/zinc/67/43/55/677674355.db2.gz GNVNVIRMIDLUQH-PLNGDYQASA-N -1 0 384.226 2.557 50 0 GFAARM O=C([O-])C[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1ccccc1 ZINC000299750071 222782342 /nfs/dbraw/zinc/78/23/42/222782342.db2.gz MPAFTLQPLOIQLY-INIZCTEOSA-N -1 0 387.823 2.815 50 0 GFAARM COc1ccc(-c2cnc(S([O-])=CC(=O)NCc3ccccc3)n2C)cc1 ZINC000009828762 212235861 /nfs/dbraw/zinc/23/58/61/212235861.db2.gz PZECVFWRBRAJPD-HHHXNRCGSA-N -1 0 383.473 2.520 50 0 GFAARM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001029175 212207034 /nfs/dbraw/zinc/20/70/34/212207034.db2.gz DAEVWYPVHMOFIX-NWDGAFQWSA-N -1 0 379.869 2.709 50 0 GFAARM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000908262 212193181 /nfs/dbraw/zinc/19/31/81/212193181.db2.gz KGAUPTXJARUUCQ-UHFFFAOYSA-N -1 0 398.444 2.928 50 0 GFAARM COc1cc2nc([N-]S(=O)(=O)c3ccc(N)cc3)sc2c(OC)c1OC ZINC000000629725 212167183 /nfs/dbraw/zinc/16/71/83/212167183.db2.gz DXHDEWBZEVEUIR-UHFFFAOYSA-N -1 0 395.462 2.705 50 0 GFAARM O=C([O-])c1cccc(NCN2C(=O)c3ccc(Br)cc3C2=O)c1 ZINC000000639224 212168929 /nfs/dbraw/zinc/16/89/29/212168929.db2.gz AATDDQRHRXCYGD-UHFFFAOYSA-N -1 0 375.178 2.813 50 0 GFAARM O=C([O-])/C(=C/c1cccc(O)c1)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000033499144 212160086 /nfs/dbraw/zinc/16/00/86/212160086.db2.gz POWYMXHTGGXDJK-SDNWHVSQSA-N -1 0 379.459 2.863 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000002126210 220505637 /nfs/dbraw/zinc/50/56/37/220505637.db2.gz GJSACNIIXRRSHE-INIZCTEOSA-N -1 0 381.388 2.757 50 0 GFAARM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002433233 220533177 /nfs/dbraw/zinc/53/31/77/220533177.db2.gz ZXDGKJVGKVGXGC-YVEFUNNKSA-N -1 0 387.432 2.809 50 0 GFAARM COc1ccc(C2=NO[C@@](CC(=O)[O-])(C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1 ZINC000005483961 220875350 /nfs/dbraw/zinc/87/53/50/220875350.db2.gz ICFQFTHRDZUGKL-NRFANRHFSA-N -1 0 396.399 2.874 50 0 GFAARM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)NCCC(=O)[O-])CC2 ZINC000006760504 220959144 /nfs/dbraw/zinc/95/91/44/220959144.db2.gz FZIOSXBODCLKPF-FQEVSTJZSA-N -1 0 384.432 2.836 50 0 GFAARM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000006887503 220975545 /nfs/dbraw/zinc/97/55/45/220975545.db2.gz SIHZGUNWVKLLJL-UHFFFAOYSA-N -1 0 399.453 2.740 50 0 GFAARM CC(=O)c1cccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000009530230 221083728 /nfs/dbraw/zinc/08/37/28/221083728.db2.gz AKSRJSRPUVWSOJ-UHFFFAOYSA-N -1 0 389.458 2.731 50 0 GFAARM CCN(Cc1ccccc1)C(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000009530225 221083827 /nfs/dbraw/zinc/08/38/27/221083827.db2.gz NZUXGIRBZCETDN-UHFFFAOYSA-N -1 0 389.502 2.939 50 0 GFAARM Cn1nc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Oc3ccccc3)c2)ccc1=O ZINC000009550318 221085120 /nfs/dbraw/zinc/08/51/20/221085120.db2.gz PISDQBORWMVVHY-SFHVURJKSA-N -1 0 393.399 2.518 50 0 GFAARM COCCCn1c(=O)c2ccc(C(=O)NOCc3ccccc3)cc2[n-]c1=S ZINC000010319289 221100154 /nfs/dbraw/zinc/10/01/54/221100154.db2.gz USVWIXROHZWZJH-UHFFFAOYSA-N -1 0 399.472 2.957 50 0 GFAARM O=C(NCc1cccs1)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000011693223 221121047 /nfs/dbraw/zinc/12/10/47/221121047.db2.gz BZFLXADYRSNVIY-UHFFFAOYSA-N -1 0 385.517 2.997 50 0 GFAARM CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)c(=O)[n-]2)c1 ZINC000011990561 221141199 /nfs/dbraw/zinc/14/11/99/221141199.db2.gz DGXOLVYUAPCFFQ-UHFFFAOYSA-N -1 0 380.429 2.765 50 0 GFAARM COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000012436901 221193467 /nfs/dbraw/zinc/19/34/67/221193467.db2.gz FOTUOPRNSYULOO-HJDVLLJCSA-N -1 0 396.443 2.692 50 0 GFAARM CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)ccc21 ZINC000012521455 221201021 /nfs/dbraw/zinc/20/10/21/221201021.db2.gz ASLLFBNQYMPEAD-UHFFFAOYSA-N -1 0 388.445 2.711 50 0 GFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(-c2ccsc2)no1 ZINC000012557166 221206817 /nfs/dbraw/zinc/20/68/17/221206817.db2.gz CCLLQPKPQGITDG-UHFFFAOYSA-N -1 0 379.419 2.527 50 0 GFAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000012757584 221226857 /nfs/dbraw/zinc/22/68/57/221226857.db2.gz ZDOJDSQMLKGXQM-UHFFFAOYSA-N -1 0 381.381 2.508 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000013196194 221262901 /nfs/dbraw/zinc/26/29/01/221262901.db2.gz YEWNKBYJUGBLOQ-HNNXBMFYSA-N -1 0 379.434 2.507 50 0 GFAARM O=c1[n-]c(N2CCN(c3ccccn3)CC2)nnc1Cc1ccc(Cl)cc1 ZINC000013629967 221278677 /nfs/dbraw/zinc/27/86/77/221278677.db2.gz XGTPFFHJHQFZNN-UHFFFAOYSA-N -1 0 382.855 2.543 50 0 GFAARM CC(C)(C)N1C(=O)c2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000013957529 221294878 /nfs/dbraw/zinc/29/48/78/221294878.db2.gz HOLFNGVJZMJLHK-UHFFFAOYSA-N -1 0 380.400 2.709 50 0 GFAARM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3O)cs2)no1 ZINC000016649464 221367784 /nfs/dbraw/zinc/36/77/84/221367784.db2.gz YJVLVWVUHBIOFW-UHFFFAOYSA-N -1 0 379.419 2.803 50 0 GFAARM Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020602685 221503897 /nfs/dbraw/zinc/50/38/97/221503897.db2.gz BLAMQXROTGTONX-UHFFFAOYSA-N -1 0 387.827 2.886 50 0 GFAARM COc1ccc(Cl)cc1[C@H](C(=O)[O-])N1CCN(c2ncccc2C)CC1 ZINC000095385908 136178725 /nfs/dbraw/zinc/17/87/25/136178725.db2.gz DXICOGWTCJVURY-QGZVFWFLSA-N -1 0 375.856 3.000 50 0 GFAARM CSCC[C@@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)C(=O)[O-] ZINC000041155358 221939655 /nfs/dbraw/zinc/93/96/55/221939655.db2.gz JQPJRWKBVKVDFK-CYBMUJFWSA-N -1 0 381.429 2.521 50 0 GFAARM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1)N1CCOCC1 ZINC000055620245 222024140 /nfs/dbraw/zinc/02/41/40/222024140.db2.gz LUIZLZXMPCKLHL-UHFFFAOYSA-N -1 0 380.853 2.613 50 0 GFAARM Cc1ccccc1C(=O)Nc1ccc(N(C)C[C@@H]2COCCO2)c(C(=O)[O-])c1 ZINC000046053540 221970028 /nfs/dbraw/zinc/97/00/28/221970028.db2.gz SGCJBAZCGWYPEM-MRXNPFEDSA-N -1 0 384.432 2.797 50 0 GFAARM COc1cccc(-n2cc([C@@H](C)NC(=O)c3cccc(NCC(=O)[O-])c3)cn2)c1 ZINC000055359360 222020488 /nfs/dbraw/zinc/02/04/88/222020488.db2.gz MYYROSBPKYZNFX-CQSZACIVSA-N -1 0 394.431 2.868 50 0 GFAARM COC(=O)C[C@@H]1CC(=O)C2=C([O-])c3c(c(Br)ccc3OC)[C@@H]2C1 ZINC000055529253 222021882 /nfs/dbraw/zinc/02/18/82/222021882.db2.gz KIBDKRPJUGKECL-UTEYVOQOSA-N -1 0 381.222 2.896 50 0 GFAARM COc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)c1 ZINC000065196205 222109821 /nfs/dbraw/zinc/10/98/21/222109821.db2.gz SFSIDYWMFMDBRY-UHFFFAOYSA-N -1 0 392.502 2.852 50 0 GFAARM O=C(NCCc1cccs1)c1c(=O)[nH]c2c(cnn2-c2ccc(F)cc2)c1[O-] ZINC000065249902 222116002 /nfs/dbraw/zinc/11/60/02/222116002.db2.gz MOMHIADJBKAEFW-UHFFFAOYSA-N -1 0 398.419 2.593 50 0 GFAARM COc1cccc(NC(=O)c2c([O-])c3cnn(-c4ccc(C)cc4)c3[nH]c2=O)c1 ZINC000065249973 222116380 /nfs/dbraw/zinc/11/63/80/222116380.db2.gz MDAMCOBTPBLMRK-UHFFFAOYSA-N -1 0 390.399 2.989 50 0 GFAARM COc1cc([C@H]2CC(=O)Nc3cc(OCC(=O)[O-])ccc32)cc(Cl)c1O ZINC000065422850 222129989 /nfs/dbraw/zinc/12/99/89/222129989.db2.gz YIWCKBMGQSKOAM-GFCCVEGCSA-N -1 0 377.780 2.992 50 0 GFAARM O=C([O-])c1cn(C[C@@H]2CCCN(C(=O)C3(Nc4ccccc4)CCCC3)C2)nn1 ZINC000065526907 222133551 /nfs/dbraw/zinc/13/35/51/222133551.db2.gz ZUXUEWZFRLFHOG-MRXNPFEDSA-N -1 0 397.479 2.640 50 0 GFAARM CC[C@@H](C)C(=O)N1CCc2c(c(C(=O)[O-])nn2CCc2ccc(OC)cc2)C1 ZINC000067588293 222148895 /nfs/dbraw/zinc/14/88/95/222148895.db2.gz ZFJQKBRXBNHIFS-CQSZACIVSA-N -1 0 385.464 2.763 50 0 GFAARM Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067741507 222157580 /nfs/dbraw/zinc/15/75/80/222157580.db2.gz AMRIEXPQYSVAGA-CQSZACIVSA-N -1 0 382.420 2.892 50 0 GFAARM CN(C(=O)c1cccc(NC(=O)c2nccnc2C(=O)[O-])c1)C1CCCCC1 ZINC000071288848 222180631 /nfs/dbraw/zinc/18/06/31/222180631.db2.gz WVHQPHBXPJVMIK-UHFFFAOYSA-N -1 0 382.420 2.832 50 0 GFAARM COc1ccccc1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071760370 222194478 /nfs/dbraw/zinc/19/44/78/222194478.db2.gz CEJGVEUEHPKFLN-UHFFFAOYSA-N -1 0 393.486 2.798 50 0 GFAARM O=C([O-])c1cc(-c2cccc(F)c2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000072130982 222209617 /nfs/dbraw/zinc/20/96/17/222209617.db2.gz GRCXMMITOMPUAV-UHFFFAOYSA-N -1 0 381.450 2.928 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000072401205 222252923 /nfs/dbraw/zinc/25/29/23/222252923.db2.gz PNDYQKZFOMCIQH-UHFFFAOYSA-N -1 0 379.250 2.552 50 0 GFAARM Cc1cc(C)cc(C(=O)N2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)c1 ZINC000072435899 222261510 /nfs/dbraw/zinc/26/15/10/222261510.db2.gz YWGGSXGRNZUAGN-SFHVURJKSA-N -1 0 384.476 2.621 50 0 GFAARM CCC(CC)CN1CC2(CCN(C(=O)CCc3cc(=O)[n-]o3)CC2)OC1=O ZINC000077436502 222281587 /nfs/dbraw/zinc/28/15/87/222281587.db2.gz YHQAYSDEARKOAL-UHFFFAOYSA-N -1 0 379.457 2.562 50 0 GFAARM O=C([O-])C1(Oc2ccccc2)CCN(c2nc3ccccc3n2CCO)CC1 ZINC000082096643 222308186 /nfs/dbraw/zinc/30/81/86/222308186.db2.gz NXQJGLLOULHWOI-UHFFFAOYSA-N -1 0 381.432 2.531 50 0 GFAARM CCNc1nc(C)c(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)s1 ZINC000095531583 222355346 /nfs/dbraw/zinc/35/53/46/222355346.db2.gz MXIOLJPLXKWQPR-BFUOFWGJSA-N -1 0 387.461 2.586 50 0 GFAARM O=C(NCCc1ccn(-c2ccccc2)n1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000095964483 222365109 /nfs/dbraw/zinc/36/51/09/222365109.db2.gz KJWYHJVUYPJLGK-UHFFFAOYSA-N -1 0 391.406 2.875 50 0 GFAARM O=C([O-])C1CCN(C(=O)CSc2nnc(NC3CCCCC3)s2)CC1 ZINC000003320284 551092975 /nfs/dbraw/zinc/09/29/75/551092975.db2.gz AESBFFOHPMRYOW-UHFFFAOYSA-N -1 0 384.527 2.698 50 0 GFAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000006348562 551098752 /nfs/dbraw/zinc/09/87/52/551098752.db2.gz WCBZRTGMIPXGEJ-UHFFFAOYSA-N -1 0 391.193 2.627 50 0 GFAARM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3c(C)noc3C)cc2C)s1 ZINC000033007794 551132511 /nfs/dbraw/zinc/13/25/11/551132511.db2.gz ABTSLOMVXNPYHG-UHFFFAOYSA-N -1 0 380.451 2.969 50 0 GFAARM C[C@@H](CS(=O)(=O)[N-]C(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1 ZINC000167003967 551632823 /nfs/dbraw/zinc/63/28/23/551632823.db2.gz GVDJSUAJJODQQL-SWLSCSKDSA-N -1 0 380.491 2.858 50 0 GFAARM O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(SC(F)(F)F)cc1 ZINC000225550473 553059643 /nfs/dbraw/zinc/05/96/43/553059643.db2.gz AMCXVYCKZORIBN-UHFFFAOYSA-N -1 0 375.357 2.537 50 0 GFAARM C[C@H](CN(C)C(=O)C1(c2cccc(Br)c2)CCOCC1)C(=O)[O-] ZINC000237541534 553078984 /nfs/dbraw/zinc/07/89/84/553078984.db2.gz RPAGVJGAPXEVBT-GFCCVEGCSA-N -1 0 384.270 2.676 50 0 GFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000237660784 553080357 /nfs/dbraw/zinc/08/03/57/553080357.db2.gz HNGTUADNKKRLNZ-MRXNPFEDSA-N -1 0 378.226 2.572 50 0 GFAARM O=C([O-])CCN(C(=O)Cc1ccc(F)c(Br)c1)C1CCOCC1 ZINC000238065634 553085879 /nfs/dbraw/zinc/08/58/79/553085879.db2.gz LLSLNWPNFTUSDC-UHFFFAOYSA-N -1 0 388.233 2.613 50 0 GFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004029165 560193258 /nfs/dbraw/zinc/19/32/58/560193258.db2.gz GMUYSWQSSRROPG-OALUTQOASA-N -1 0 396.443 2.600 50 0 biogenic,in-vitro GFAARM Cc1cnc([C@H](NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C2CC2)s1 ZINC000414625678 563748403 /nfs/dbraw/zinc/74/84/03/563748403.db2.gz JQFCQWGFQVAIHM-GMTAPVOTSA-N -1 0 377.388 2.807 50 0 GFAARM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCOCC2)cc1 ZINC000035209371 570263623 /nfs/dbraw/zinc/26/36/23/570263623.db2.gz GKHZYYNIYHPYFR-UHFFFAOYSA-N -1 0 390.461 2.585 50 0 GFAARM Cc1c(Cl)cccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000100033299 570265496 /nfs/dbraw/zinc/26/54/96/570265496.db2.gz JSNCTMPYZZLIKS-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002473942 570288345 /nfs/dbraw/zinc/28/83/45/570288345.db2.gz SNZSDTRRGFGHBZ-OAHLLOKOSA-N -1 0 398.843 2.604 50 0 GFAARM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237046174 570325840 /nfs/dbraw/zinc/32/58/40/570325840.db2.gz DWRFTNUKFHFVIS-LJQANCHMSA-N -1 0 380.444 2.843 50 0 GFAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)c1 ZINC000034764457 570333220 /nfs/dbraw/zinc/33/32/20/570333220.db2.gz RBYQAYXLRVQKSD-UHFFFAOYSA-N -1 0 393.447 2.675 50 0 GFAARM COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(C(=O)[O-])n2)cc1 ZINC000000624682 570341046 /nfs/dbraw/zinc/34/10/46/570341046.db2.gz CBSIGWAPZDTJFH-UHFFFAOYSA-N -1 0 397.412 2.845 50 0 GFAARM C[C@@]1(c2ccccc2)CN(C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)CCO1 ZINC000237393416 570346377 /nfs/dbraw/zinc/34/63/77/570346377.db2.gz YDNANEJNJNEFAP-QFIPXVFZSA-N -1 0 391.427 2.958 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N(C)C)cc1OC ZINC000031776773 570386002 /nfs/dbraw/zinc/38/60/02/570386002.db2.gz KAXHXGYFAOCBPW-UHFFFAOYSA-N -1 0 398.868 2.860 50 0 GFAARM Cc1c(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cnn1-c1cccc(Cl)c1 ZINC000237730791 570392053 /nfs/dbraw/zinc/39/20/53/570392053.db2.gz ABSOSVORBVMJAU-INIZCTEOSA-N -1 0 391.855 2.930 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NN=c2ccc(C(F)(F)F)c[nH]2)c1C ZINC000005093154 570415438 /nfs/dbraw/zinc/41/54/38/570415438.db2.gz SARSDKSJZBVLIV-UHFFFAOYSA-N -1 0 389.355 2.721 50 0 GFAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1csc(Cc2ccccc2F)n1 ZINC000238110537 570425437 /nfs/dbraw/zinc/42/54/37/570425437.db2.gz VPJQXIWCMHAOQQ-CQSZACIVSA-N -1 0 392.452 2.969 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000236588213 570427261 /nfs/dbraw/zinc/42/72/61/570427261.db2.gz NGFUGRNZFWRUQL-DLBZAZTESA-N -1 0 386.473 2.916 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1cccs1 ZINC000238155076 570427524 /nfs/dbraw/zinc/42/75/24/570427524.db2.gz VLVGCUXOAUHIFR-ZWNOBZJWSA-N -1 0 394.399 2.711 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1C(=O)[O-] ZINC000268929034 570470879 /nfs/dbraw/zinc/47/08/79/570470879.db2.gz IHQBBFSQJQPLTC-IBGZPJMESA-N -1 0 384.432 2.998 50 0 GFAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)cc1 ZINC000006731492 570491241 /nfs/dbraw/zinc/49/12/41/570491241.db2.gz ZPLXIQWOILNTCY-UHFFFAOYSA-N -1 0 392.502 2.682 50 0 GFAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)[O-] ZINC000006624022 570508300 /nfs/dbraw/zinc/50/83/00/570508300.db2.gz HHFLZRRJEFOTLR-HNNXBMFYSA-N -1 0 387.432 2.727 50 0 GFAARM O=C([O-])c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)cc1 ZINC000004953510 570540668 /nfs/dbraw/zinc/54/06/68/570540668.db2.gz HGWNGJRDZXRRMP-UHFFFAOYSA-N -1 0 394.474 2.873 50 0 GFAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)c(C)c1 ZINC000032962218 570542810 /nfs/dbraw/zinc/54/28/10/570542810.db2.gz WIIDWRJNDKXLOV-UHFFFAOYSA-N -1 0 390.461 2.639 50 0 GFAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1C ZINC000032962219 570543007 /nfs/dbraw/zinc/54/30/07/570543007.db2.gz GAORHOCNRNDWFY-UHFFFAOYSA-N -1 0 390.461 2.639 50 0 GFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CCc4ccc(OC)cc4)c=3c2=O)cc1 ZINC000006770803 570580755 /nfs/dbraw/zinc/58/07/55/570580755.db2.gz DCCASTXPYFBYFK-RTBURBONSA-N -1 0 378.432 2.794 50 0 GFAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC000006778845 570586000 /nfs/dbraw/zinc/58/60/00/570586000.db2.gz VCYDKLIODMXZHG-UHFFFAOYSA-N -1 0 380.809 2.674 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 ZINC000003230762 570598671 /nfs/dbraw/zinc/59/86/71/570598671.db2.gz WCVGEBFPYQHDOS-UHFFFAOYSA-N -1 0 392.502 2.941 50 0 GFAARM Cc1c([N-]S(=O)(=O)c2c(F)cccc2F)c(=O)n(-c2ccccc2)n1C ZINC000003532587 570610415 /nfs/dbraw/zinc/61/04/15/570610415.db2.gz SCUINCPKUFORNL-UHFFFAOYSA-N -1 0 379.388 2.563 50 0 GFAARM CCCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000004593251 570624178 /nfs/dbraw/zinc/62/41/78/570624178.db2.gz JEPWZBLHBHKGDY-GOSISDBHSA-N -1 0 393.461 2.978 50 0 GFAARM COc1cccc(-c2nc(CC(=O)N[C@H](C(=O)[O-])C(C)C)cs2)c1OC ZINC000036366627 570645472 /nfs/dbraw/zinc/64/54/72/570645472.db2.gz BKBDWZUNNIBFGF-HNNXBMFYSA-N -1 0 378.450 2.595 50 0 GFAARM C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)c1c[nH]c2ccccc21 ZINC000005573629 570656852 /nfs/dbraw/zinc/65/68/52/570656852.db2.gz QAVYPRZNRRQTGL-LBPRGKRZSA-N -1 0 386.429 2.968 50 0 GFAARM COc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1OCc1cscn1 ZINC000262370557 570667415 /nfs/dbraw/zinc/66/74/15/570667415.db2.gz ASIXWCVSZPOFRL-ZDUSSCGKSA-N -1 0 376.434 2.668 50 0 GFAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc[nH]1 ZINC000005601494 570667645 /nfs/dbraw/zinc/66/76/45/570667645.db2.gz CTOXNMNZXCUPPV-UHFFFAOYSA-N -1 0 390.442 2.917 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CSC)ccc2OC)cc1 ZINC000005602668 570668044 /nfs/dbraw/zinc/66/80/44/570668044.db2.gz JAHGRPHAIWJCQJ-UHFFFAOYSA-N -1 0 396.490 2.806 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000262424818 570671610 /nfs/dbraw/zinc/67/16/10/570671610.db2.gz QXLMQWGUWWIXKB-RLCCDNCMSA-N -1 0 391.855 2.728 50 0 GFAARM O=C([O-])[C@@H]1CCCN1CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000262603557 570678679 /nfs/dbraw/zinc/67/86/79/570678679.db2.gz AHKRMOLLHWCPFL-NQIIRXRSSA-N -1 0 391.471 2.965 50 0 GFAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000170002857 570785265 /nfs/dbraw/zinc/78/52/65/570785265.db2.gz JCTZNKLXPAFATB-IPYPFGDCSA-N -1 0 376.840 2.619 50 0 GFAARM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCOCC4(CCOCC4)C3)n2)c1 ZINC000182925845 570793363 /nfs/dbraw/zinc/79/33/63/570793363.db2.gz WBFKUYQEKZOCPV-UHFFFAOYSA-N -1 0 399.491 2.971 50 0 GFAARM CN1C(=O)[C@@](O)(CC(=O)C2=C([O-])c3ccccc3CC2)c2cc(Cl)ccc21 ZINC000101309605 570818617 /nfs/dbraw/zinc/81/86/17/570818617.db2.gz JPARBIBNMJGEIY-QVKFZJNVSA-N -1 0 383.831 2.909 50 0 GFAARM O=C([O-])C[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc(F)cc1 ZINC000299750027 570827813 /nfs/dbraw/zinc/82/78/13/570827813.db2.gz MLKLDDJTKXFQDJ-AWEZNQCLSA-N -1 0 392.818 2.815 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c[nH]1 ZINC000036963706 570830076 /nfs/dbraw/zinc/83/00/76/570830076.db2.gz JWFPAXPWWARPCD-UHFFFAOYSA-N -1 0 379.619 2.930 50 0 GFAARM CCOc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc1 ZINC000101762070 570832554 /nfs/dbraw/zinc/83/25/54/570832554.db2.gz BUVPRLWJKINLMK-MRXNPFEDSA-N -1 0 398.463 2.585 50 0 GFAARM COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)cc1F ZINC000102185490 570842873 /nfs/dbraw/zinc/84/28/73/570842873.db2.gz LIWLHLXVFPKUMR-SNVBAGLBSA-N -1 0 387.436 2.861 50 0 GFAARM Cn1c(=O)c2ccc(C(=O)NCc3ccccc3OC(F)F)cc2[n-]c1=S ZINC000102399188 570847325 /nfs/dbraw/zinc/84/73/25/570847325.db2.gz ZSJFCWIIXMMRTB-UHFFFAOYSA-N -1 0 391.399 2.754 50 0 GFAARM C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000170592130 570851385 /nfs/dbraw/zinc/85/13/85/570851385.db2.gz JPXTYANJFCGXMN-NOZJJQNGSA-N -1 0 398.843 2.991 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000071284873 570888016 /nfs/dbraw/zinc/88/80/16/570888016.db2.gz LZBLDEJBRXMYHI-ROUUACIJSA-N -1 0 380.444 2.954 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCC2)c1 ZINC000071285248 570888478 /nfs/dbraw/zinc/88/84/78/570888478.db2.gz WDVVBSYKHDCKMX-UHFFFAOYSA-N -1 0 388.811 2.753 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccc(-c2nnco2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159101379 570903977 /nfs/dbraw/zinc/90/39/77/570903977.db2.gz HQRSASTTYSUHMY-JKSUJKDBSA-N -1 0 375.450 2.758 50 0 GFAARM CCC[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002097035 570941303 /nfs/dbraw/zinc/94/13/03/570941303.db2.gz PYYYPSSZELDUHL-HNNXBMFYSA-N -1 0 375.421 2.721 50 0 GFAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002098955 570941636 /nfs/dbraw/zinc/94/16/36/570941636.db2.gz UNCCPQVPAPFZBH-CYBMUJFWSA-N -1 0 375.421 2.802 50 0 GFAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000238015601 570945179 /nfs/dbraw/zinc/94/51/79/570945179.db2.gz BTDFASSEYOFPND-CZUORRHYSA-N -1 0 378.856 2.796 50 0 GFAARM CCCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)[O-] ZINC000002117945 570953000 /nfs/dbraw/zinc/95/30/00/570953000.db2.gz OCTCTXWGCDTEOX-INIZCTEOSA-N -1 0 387.432 2.729 50 0 GFAARM Cc1c2ccc(OCC(=O)N[C@@H](C)C(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000002145975 570971151 /nfs/dbraw/zinc/97/11/51/570971151.db2.gz VIVZFPPUBJVMRN-AWEZNQCLSA-N -1 0 395.411 2.660 50 0 GFAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007726684 571024538 /nfs/dbraw/zinc/02/45/38/571024538.db2.gz HKYUOFXYQYVSRD-UHFFFAOYSA-N -1 0 388.445 2.776 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1OC ZINC000007726692 571024666 /nfs/dbraw/zinc/02/46/66/571024666.db2.gz ZFMBHHCNGJFZPK-UHFFFAOYSA-N -1 0 376.434 2.631 50 0 GFAARM C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C(=O)c1ccccc1Cl)CC2 ZINC000091680666 571025934 /nfs/dbraw/zinc/02/59/34/571025934.db2.gz OAYXOHXQBSYARW-CYBMUJFWSA-N -1 0 378.856 2.658 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc12 ZINC000275340583 598202065 /nfs/dbraw/zinc/20/20/65/598202065.db2.gz RNRGPIQZQSYZPR-AWEZNQCLSA-N -1 0 390.461 2.674 50 0 GFAARM COc1ccc(-c2nc(CC(=O)N3CCC[C@H](C(=O)[O-])C3)cs2)cc1OC ZINC000032089680 600020235 /nfs/dbraw/zinc/02/02/35/600020235.db2.gz OEMQDTARVVVMFG-ZDUSSCGKSA-N -1 0 390.461 2.693 50 0 GFAARM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)[O-] ZINC000299749112 600398786 /nfs/dbraw/zinc/39/87/86/600398786.db2.gz JGUZZIKTZFYZFV-AWEZNQCLSA-N -1 0 399.422 2.718 50 0 GFAARM CCOc1cc2c(cc1/C=C\C(=O)N(CC(=O)[O-])C1CCOCC1)O[C@H](C)C2 ZINC000606441982 600957706 /nfs/dbraw/zinc/95/77/06/600957706.db2.gz ICPCRSPDHVTYHA-ZRUQZJFASA-N -1 0 389.448 2.514 50 0 GFAARM O=C([O-])[C@@H](CNC(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1ccccc1 ZINC000095425565 601072807 /nfs/dbraw/zinc/07/28/07/601072807.db2.gz QJIVUTOXZBQCSK-ACBHZAAOSA-N -1 0 386.492 2.836 50 0 GFAARM N=C1NC(=O)/C(=C/c2cn(CCC(=O)[O-])nc2-c2ccc(Cl)cc2)S1 ZINC000004269636 654443896 /nfs/dbraw/zinc/44/38/96/654443896.db2.gz IQHAXELCELAPMH-GHXNOFRVSA-N -1 0 376.825 2.817 50 0 GFAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1cc(-c2noc(C3CC3)n2)cs1 ZINC000021702188 654529361 /nfs/dbraw/zinc/52/93/61/654529361.db2.gz VFTAWBQMRVMXNW-UHFFFAOYSA-N -1 0 382.854 2.947 50 0 GFAARM O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000121532826 231024742 /nfs/dbraw/zinc/02/47/42/231024742.db2.gz ULHWINKQIITSFI-QGZVFWFLSA-N -1 0 381.400 2.615 50 0 GFAARM Cc1nc(C)n(-c2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])cc2)n1 ZINC000237955522 231037728 /nfs/dbraw/zinc/03/77/28/231037728.db2.gz HBCBVZGACBVHEQ-IBGZPJMESA-N -1 0 376.416 2.536 50 0 GFAARM COc1ccc(CNC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000299748482 222782963 /nfs/dbraw/zinc/78/29/63/222782963.db2.gz HEFQKEJIYDIOOX-HNNXBMFYSA-N -1 0 385.416 2.881 50 0 GFAARM CCc1ccc(-n2c(=O)[nH]c([O-])c(Cc3ccc(OC)cc3OC)c2=O)cc1 ZINC000001088837 212217023 /nfs/dbraw/zinc/21/70/23/212217023.db2.gz NFQNHGBLQCRMRK-KRWDZBQOSA-N -1 0 382.416 2.708 50 0 GFAARM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001029177 212206949 /nfs/dbraw/zinc/20/69/49/212206949.db2.gz DAEVWYPVHMOFIX-VXGBXAGGSA-N -1 0 379.869 2.709 50 0 GFAARM C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000917504 212195349 /nfs/dbraw/zinc/19/53/49/212195349.db2.gz VUZMHNWFFOJGJX-AWEZNQCLSA-N -1 0 398.444 2.683 50 0 GFAARM COc1cccc(/C=C2\C(=O)[N-]N(c3ccc(Br)cc3)C2=O)c1O ZINC000000831626 212187026 /nfs/dbraw/zinc/18/70/26/212187026.db2.gz BCYOBRRMFNGTQC-UKTHLTGXSA-N -1 0 389.205 2.625 50 0 GFAARM O=C([O-])CCCCCNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002134575 220505462 /nfs/dbraw/zinc/50/54/62/220505462.db2.gz QJVPSVWEEYOROT-UHFFFAOYSA-N -1 0 387.432 2.812 50 0 GFAARM O=C(C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1cccc(Cl)c1 ZINC000002966887 220590282 /nfs/dbraw/zinc/59/02/82/220590282.db2.gz SQZKUSDMHKXXOP-HNNXBMFYSA-N -1 0 398.875 2.714 50 0 GFAARM O=C([O-])CSc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000004180977 220689720 /nfs/dbraw/zinc/68/97/20/220689720.db2.gz PJNUZXLQKQUWLF-UHFFFAOYSA-N -1 0 378.413 2.748 50 0 GFAARM CCOc1ccccc1OCC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000008132243 221028371 /nfs/dbraw/zinc/02/83/71/221028371.db2.gz DUFKYQYWXMEOMF-UHFFFAOYSA-N -1 0 387.388 2.962 50 0 GFAARM Cc1cc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000011866805 221133151 /nfs/dbraw/zinc/13/31/51/221133151.db2.gz AKXRNVFUVPUWII-AWEZNQCLSA-N -1 0 375.421 2.713 50 0 GFAARM CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000011566073 221117089 /nfs/dbraw/zinc/11/70/89/221117089.db2.gz RFIQNTMAGJBKQO-UHFFFAOYSA-N -1 0 375.874 2.923 50 0 GFAARM O=C1N[C@H](c2cccc(Cl)c2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000011667633 221120554 /nfs/dbraw/zinc/12/05/54/221120554.db2.gz JMWAGBGINOXEHS-XJKCOSOUSA-N -1 0 399.756 2.839 50 0 GFAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1)O[C@@H](C)C2 ZINC000012526038 221201736 /nfs/dbraw/zinc/20/17/36/221201736.db2.gz YKWIEGVDFPHPJJ-LBPRGKRZSA-N -1 0 391.445 2.996 50 0 GFAARM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1 ZINC000012584786 221209648 /nfs/dbraw/zinc/20/96/48/221209648.db2.gz VTJDGWKZFSASFS-UHFFFAOYSA-N -1 0 394.518 2.881 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(C)c1 ZINC000012652665 221217389 /nfs/dbraw/zinc/21/73/89/221217389.db2.gz PWHKHNHQFPRVLW-UHFFFAOYSA-N -1 0 394.474 2.771 50 0 GFAARM O=C(Cn1nnc2ccccc21)n1cc(C(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000014166574 221301266 /nfs/dbraw/zinc/30/12/66/221301266.db2.gz HLBHVBBAUMDZKD-UHFFFAOYSA-N -1 0 381.779 2.558 50 0 GFAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000016042526 221355805 /nfs/dbraw/zinc/35/58/05/221355805.db2.gz QRDQSTNEKCZZRI-BBATYDOGSA-N -1 0 375.421 2.658 50 0 GFAARM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000017316578 221384001 /nfs/dbraw/zinc/38/40/01/221384001.db2.gz VBIJWNQGMGMUMO-UHFFFAOYSA-N -1 0 386.520 2.651 50 0 GFAARM Cc1cc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)ccc1OCC(=O)[O-] ZINC000058370410 136155330 /nfs/dbraw/zinc/15/53/30/136155330.db2.gz VGGCPCKJNAFCQF-UHFFFAOYSA-N -1 0 397.399 2.878 50 0 GFAARM COCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)cc1C(=O)[O-] ZINC000064589861 136157109 /nfs/dbraw/zinc/15/71/09/136157109.db2.gz DIZCWXYXWHSESE-UHFFFAOYSA-N -1 0 383.448 2.605 50 0 GFAARM COc1ccc(OC)c(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC000071844467 136166776 /nfs/dbraw/zinc/16/67/76/136166776.db2.gz QBOBDIIAXOFGKY-UHFFFAOYSA-N -1 0 377.418 2.544 50 0 GFAARM Cc1ccc(CNc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)cc1C ZINC000096141663 136184268 /nfs/dbraw/zinc/18/42/68/136184268.db2.gz PRDPTWUFOLCAPC-UHFFFAOYSA-N -1 0 384.480 2.904 50 0 GFAARM CCCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1ccc(OC)c(OC)c1 ZINC000033266196 221779862 /nfs/dbraw/zinc/77/98/62/221779862.db2.gz PTTWHKULWHHUCQ-UHFFFAOYSA-N -1 0 386.412 2.752 50 0 GFAARM Cc1ccc(C(=O)Nc2ccc(N(C)C[C@H]3COCCO3)c(C(=O)[O-])c2)cc1 ZINC000046053539 221969581 /nfs/dbraw/zinc/96/95/81/221969581.db2.gz KPAIZMOFVYYPLE-KRWDZBQOSA-N -1 0 384.432 2.797 50 0 GFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000057530862 222035541 /nfs/dbraw/zinc/03/55/41/222035541.db2.gz VVGSBKWONCMZIL-UHFFFAOYSA-N -1 0 388.474 2.753 50 0 GFAARM Cc1ccnc(NC(=O)C2CCN(C(=O)c3c([O-])cc(F)cc3F)CC2)c1 ZINC000058218617 222046199 /nfs/dbraw/zinc/04/61/99/222046199.db2.gz KYXLYRJMWZVRLP-UHFFFAOYSA-N -1 0 375.375 2.865 50 0 GFAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCC2)n(C)c1C ZINC000064922149 222087555 /nfs/dbraw/zinc/08/75/55/222087555.db2.gz MYOPSQNEAJOEOM-UHFFFAOYSA-N -1 0 391.493 2.769 50 0 GFAARM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)C[C@@H](c1ccco1)c1ccccc1)C2 ZINC000067675670 222154786 /nfs/dbraw/zinc/15/47/86/222154786.db2.gz UEEFQECIYWJYIT-OAHLLOKOSA-N -1 0 379.416 2.818 50 0 GFAARM O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)c1ccc(Cl)cc1O)CC2 ZINC000067804225 222158748 /nfs/dbraw/zinc/15/87/48/222158748.db2.gz XVQONNJORRNQAR-UHFFFAOYSA-N -1 0 375.812 2.549 50 0 GFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cc3ccccc3o2)c1 ZINC000071765070 222196645 /nfs/dbraw/zinc/19/66/45/222196645.db2.gz PZTCYAHAPQKRLR-UHFFFAOYSA-N -1 0 375.402 2.723 50 0 GFAARM COc1cc(F)ccc1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCC2)c1 ZINC000071775794 222197551 /nfs/dbraw/zinc/19/75/51/222197551.db2.gz PEOOEQVLMYMLMM-UHFFFAOYSA-N -1 0 379.409 2.984 50 0 GFAARM O=C([N-]S(=O)(=O)N1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000072015986 222203894 /nfs/dbraw/zinc/20/38/94/222203894.db2.gz LPEMEGQOFQSSCV-CHWSQXEVSA-N -1 0 376.400 2.656 50 0 GFAARM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000072059954 222204860 /nfs/dbraw/zinc/20/48/60/222204860.db2.gz XYKPFIQBXBGFNG-HUUCEWRRSA-N -1 0 397.269 2.628 50 0 GFAARM Cc1cn(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCCCC3)c2)c(C)n1 ZINC000072121744 222207833 /nfs/dbraw/zinc/20/78/33/222207833.db2.gz URPGUWVXJMKNTH-UHFFFAOYSA-N -1 0 377.466 2.752 50 0 GFAARM Cn1c(=O)cc(C(=O)N2CC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c2ccccc21 ZINC000072169880 222215318 /nfs/dbraw/zinc/21/53/18/222215318.db2.gz AACDDKBNGNMTDA-MRXNPFEDSA-N -1 0 376.412 2.866 50 0 GFAARM CCc1ccccc1C(=O)N1CCC2(C[C@@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1 ZINC000072423837 222258507 /nfs/dbraw/zinc/25/85/07/222258507.db2.gz DLSCOXRRIWAQGL-SFHVURJKSA-N -1 0 384.476 2.567 50 0 GFAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccccc43)C2)cc1 ZINC000072433078 222261788 /nfs/dbraw/zinc/26/17/88/222261788.db2.gz HIVRKAAZLLXKSV-OAHLLOKOSA-N -1 0 376.412 2.931 50 0 GFAARM C[S@](=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000079670160 222307522 /nfs/dbraw/zinc/30/75/22/222307522.db2.gz CEHRSUBRZOGRSW-DNOBIOAJSA-N -1 0 387.457 2.747 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000095949152 222362661 /nfs/dbraw/zinc/36/26/61/222362661.db2.gz UVKJEEAOADNIFQ-CQSZACIVSA-N -1 0 386.389 2.788 50 0 GFAARM C[C@@](NC(=O)CCCc1nc(C2CC2)no1)(C(=O)[O-])c1cc(F)ccc1F ZINC000095424523 534260338 /nfs/dbraw/zinc/26/03/38/534260338.db2.gz IMWHOKWARRDYBS-SFHVURJKSA-N -1 0 379.363 2.664 50 0 GFAARM O=C([O-])c1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)n(-c2ccccc2)n1 ZINC000237981075 534543272 /nfs/dbraw/zinc/54/32/72/534543272.db2.gz WHDQKEDZAYWWKZ-MRXNPFEDSA-N -1 0 383.429 2.846 50 0 GFAARM Cn1c(=O)c(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cc2c1CCCC2 ZINC000095379116 534668580 /nfs/dbraw/zinc/66/85/80/534668580.db2.gz XMDYZVSFDZSNPH-SFHVURJKSA-N -1 0 394.471 2.982 50 0 GFAARM O=C([O-])C1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 ZINC000268943631 527563265 /nfs/dbraw/zinc/56/32/65/527563265.db2.gz MVMQDPRZHBRHNJ-UHFFFAOYSA-N -1 0 399.896 2.750 50 0 GFAARM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000021756824 536765646 /nfs/dbraw/zinc/76/56/46/536765646.db2.gz BMZHTCRXQKVRFA-UHFFFAOYSA-N -1 0 396.415 2.691 50 0 GFAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2cncc(Br)c2)cc1 ZINC000004818804 551094922 /nfs/dbraw/zinc/09/49/22/551094922.db2.gz LTLJSCLASHJQEJ-UHFFFAOYSA-N -1 0 380.223 2.669 50 0 GFAARM Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(C)CC3)c([O-])n2n1 ZINC000022468396 551117914 /nfs/dbraw/zinc/11/79/14/551117914.db2.gz WUSPQRRNTCRFMG-CQSZACIVSA-N -1 0 377.901 2.795 50 0 GFAARM O=C(Cn1cc(Br)ccc1=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000158377385 551551058 /nfs/dbraw/zinc/55/10/58/551551058.db2.gz FRVIQJZLZCGCQT-UHFFFAOYSA-N -1 0 380.223 2.679 50 0 GFAARM O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000170656503 551637041 /nfs/dbraw/zinc/63/70/41/551637041.db2.gz DICFLZCRIVYNQJ-QGZVFWFLSA-N -1 0 379.865 2.990 50 0 GFAARM C[C@]1(C(=O)[O-])CCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000237639308 553080128 /nfs/dbraw/zinc/08/01/28/553080128.db2.gz UYWMTSRUPUJRIL-KRWDZBQOSA-N -1 0 396.281 2.821 50 0 GFAARM O=C([O-])[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1I ZINC000250080359 553147518 /nfs/dbraw/zinc/14/75/18/553147518.db2.gz JHFKWZDIPKUACZ-RBJBARPLSA-N -1 0 383.185 2.753 50 0 GFAARM O=C([O-])C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccs1 ZINC000299742028 563390686 /nfs/dbraw/zinc/39/06/86/563390686.db2.gz ARZAVMYCRNZMNR-SMDDNHRTSA-N -1 0 376.459 2.883 50 0 GFAARM COc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccc(C)cc2)cc1 ZINC000020036507 570236526 /nfs/dbraw/zinc/23/65/26/570236526.db2.gz LEYNCYKXMPOEGQ-UHFFFAOYSA-N -1 0 397.456 2.986 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000048382880 570249875 /nfs/dbraw/zinc/24/98/75/570249875.db2.gz ZQURUKRUFXDSOM-UHFFFAOYSA-N -1 0 394.424 2.934 50 0 GFAARM CC(=O)N[C@H](CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1)c1ccccc1 ZINC000236720091 570253980 /nfs/dbraw/zinc/25/39/80/570253980.db2.gz MDSBZMRMYHPBGQ-HXUWFJFHSA-N -1 0 394.471 2.899 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1 ZINC000098212472 570264181 /nfs/dbraw/zinc/26/41/81/570264181.db2.gz BUARZOXKKCIUSY-OALUTQOASA-N -1 0 391.431 2.544 50 0 GFAARM CCOc1ccc(-n2c(O)c3n(-c4cccc(C)c4)[n-]c(C(C)=O)c-3c2=O)cc1 ZINC000100982817 570280261 /nfs/dbraw/zinc/28/02/61/570280261.db2.gz XJBNOZBZSXDAQZ-ICSRJNTNSA-N -1 0 391.427 2.717 50 0 GFAARM CC(C)OC1CCC(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CC1 ZINC000159403799 570344996 /nfs/dbraw/zinc/34/49/96/570344996.db2.gz LLHCRLDDOJGYGL-UHFFFAOYSA-N -1 0 375.494 2.688 50 0 GFAARM CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c1 ZINC000003444211 570346330 /nfs/dbraw/zinc/34/63/30/570346330.db2.gz GUQGKJJEYLYWQG-UHFFFAOYSA-N -1 0 387.457 2.696 50 0 GFAARM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)cc1 ZINC000035405347 570351771 /nfs/dbraw/zinc/35/17/71/570351771.db2.gz ZLXVCHAJYUTCHE-UHFFFAOYSA-N -1 0 380.491 2.584 50 0 GFAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c(OC)c1OC ZINC000004012430 570354590 /nfs/dbraw/zinc/35/45/90/570354590.db2.gz NEEYWOPERFZLCV-WBVHZDCISA-N -1 0 382.416 2.882 50 0 GFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000004885008 570354827 /nfs/dbraw/zinc/35/48/27/570354827.db2.gz RVHHJAYFAYIYDF-UHFFFAOYSA-N -1 0 390.461 2.804 50 0 GFAARM COC(=Nc1ccncc1)C1c2ccccc2[C@@H](C(=O)[O-])NC([N+](=O)[O-])=C1C ZINC000135655660 570371170 /nfs/dbraw/zinc/37/11/70/570371170.db2.gz OBYOLRXUEJTTEV-UKJPIOLTSA-N -1 0 382.376 2.746 50 0 GFAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000237593386 570382139 /nfs/dbraw/zinc/38/21/39/570382139.db2.gz WZYZZZQNNWWWMS-LJQANCHMSA-N -1 0 380.444 2.997 50 0 GFAARM Cc1cc(C)n(-c2ccc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)cc2F)n1 ZINC000237679944 570389745 /nfs/dbraw/zinc/38/97/45/570389745.db2.gz OIUDUGSVGMXEEE-MRXNPFEDSA-N -1 0 389.427 2.724 50 0 GFAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)cc1 ZINC000024755680 570391642 /nfs/dbraw/zinc/39/16/42/570391642.db2.gz GWZGJHVDJUABRU-UHFFFAOYSA-N -1 0 388.474 2.970 50 0 GFAARM Cc1nc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)nn1-c1ccccc1Cl ZINC000237827352 570403335 /nfs/dbraw/zinc/40/33/35/570403335.db2.gz CAIVADIFEMSQKK-CYBMUJFWSA-N -1 0 376.844 2.946 50 0 GFAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3N[C@H](c3ccc(O)cc3)C2)c(=O)s1 ZINC000035622401 570404233 /nfs/dbraw/zinc/40/42/33/570404233.db2.gz SNPODXVTQJWPBW-AWEZNQCLSA-N -1 0 381.413 2.886 50 0 GFAARM CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000100616087 570414174 /nfs/dbraw/zinc/41/41/74/570414174.db2.gz QZPHTEXHTQKRBC-UHFFFAOYSA-N -1 0 377.444 2.828 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(=O)N1CCCCC1 ZINC000004999253 570422888 /nfs/dbraw/zinc/42/28/88/570422888.db2.gz YVNKJFUVQQMXDX-UHFFFAOYSA-N -1 0 375.450 2.517 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000236589522 570427086 /nfs/dbraw/zinc/42/70/86/570427086.db2.gz BOGARULPOPTJRJ-WOJBJXKFSA-N -1 0 398.434 2.994 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000238147379 570427536 /nfs/dbraw/zinc/42/75/36/570427536.db2.gz PTUGXVVFWKSSJS-FUHWJXTLSA-N -1 0 384.407 2.506 50 0 GFAARM O=S(=O)([N-]c1cccc(-c2ccc3nncn3n2)c1)c1ccc(F)cc1F ZINC000005150782 570428526 /nfs/dbraw/zinc/42/85/26/570428526.db2.gz QEVKMDWEDAPHNA-UHFFFAOYSA-N -1 0 387.371 2.870 50 0 GFAARM CC[C@@H](C)[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000005235473 570431994 /nfs/dbraw/zinc/43/19/94/570431994.db2.gz RIVJPCNBZYSPSH-CWTRNNRKSA-N -1 0 387.432 2.666 50 0 GFAARM CCOc1ccccc1NC(=O)[C@H](Cc1ccc(OC)cc1OC)c1nnn[n-]1 ZINC000005444745 570440024 /nfs/dbraw/zinc/44/00/24/570440024.db2.gz XDDIOHKOJHKREK-OAHLLOKOSA-N -1 0 397.435 2.581 50 0 GFAARM CCc1ccc(NC(=O)[C@@H](Cc2cccc(OC)c2OC)c2nnn[n-]2)cc1 ZINC000005667433 570450527 /nfs/dbraw/zinc/45/05/27/570450527.db2.gz OGDFFXIXALAYAX-INIZCTEOSA-N -1 0 381.436 2.744 50 0 GFAARM NC(=O)N[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000262718146 570461909 /nfs/dbraw/zinc/46/19/09/570461909.db2.gz TVPOQCDASVAQIS-QZTJIDSGSA-N -1 0 397.431 2.654 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000136108307 570472101 /nfs/dbraw/zinc/47/21/01/570472101.db2.gz BREKILRDFPTFFU-ABAIWWIYSA-N -1 0 399.274 2.921 50 0 GFAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000252482971 570474488 /nfs/dbraw/zinc/47/44/88/570474488.db2.gz DRHIOPFSWWNZMW-IBGZPJMESA-N -1 0 390.480 2.745 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@@H]2c2ccccn2)cc1 ZINC000006485696 570481655 /nfs/dbraw/zinc/48/16/55/570481655.db2.gz QQEIWZZBTKCXES-IBGZPJMESA-N -1 0 394.456 2.850 50 0 GFAARM CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000006650369 570516860 /nfs/dbraw/zinc/51/68/60/570516860.db2.gz RDMLQTVECSAQMH-NTEUORMPSA-N -1 0 393.417 2.530 50 0 GFAARM CCn1ncc(S(=O)(=O)[N-]c2cnn(Cc3cccc(Cl)c3)c2)c1C ZINC000002805041 570517846 /nfs/dbraw/zinc/51/78/46/570517846.db2.gz KOEHZEOHUMZPTO-UHFFFAOYSA-N -1 0 379.873 2.910 50 0 GFAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000036356866 570637133 /nfs/dbraw/zinc/63/71/33/570637133.db2.gz HZEDZXWFWGMMSJ-HNNXBMFYSA-N -1 0 381.226 2.710 50 0 GFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000000942419 570732240 /nfs/dbraw/zinc/73/22/40/570732240.db2.gz FXRXEXAMJYGCPL-UHFFFAOYSA-N -1 0 386.408 2.977 50 0 GFAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007054380 570774505 /nfs/dbraw/zinc/77/45/05/570774505.db2.gz GMNJFBVNQAJHAI-UHFFFAOYSA-N -1 0 388.445 2.541 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)[C@H](CCSC)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000261493019 570789931 /nfs/dbraw/zinc/78/99/31/570789931.db2.gz XPNMAKTZBSFSGO-CWRNSKLLSA-N -1 0 396.509 2.650 50 0 GFAARM CCOC(=O)c1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000004651238 570806685 /nfs/dbraw/zinc/80/66/85/570806685.db2.gz MPIOXIQSKMNYNE-CVEARBPZSA-N -1 0 389.404 2.646 50 0 GFAARM CN(C[C@H]1CCOC1)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237241200 570814563 /nfs/dbraw/zinc/81/45/63/570814563.db2.gz RIIGMEHUKSAZCO-LLVKDONJSA-N -1 0 397.353 2.698 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c32)CCO1 ZINC000299751875 570828756 /nfs/dbraw/zinc/82/87/56/570828756.db2.gz SBQXOCZJRKBQQJ-MRXNPFEDSA-N -1 0 393.399 2.693 50 0 GFAARM COc1ccc(-c2noc(-c3c([O-])c4ccccc4n(C)c3=O)n2)cc1OC ZINC000101725666 570831672 /nfs/dbraw/zinc/83/16/72/570831672.db2.gz YKFRVWITJWQQNR-UHFFFAOYSA-N -1 0 379.372 2.978 50 0 GFAARM Cc1ccsc1[C@H]1CC(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)=NN1 ZINC000101763065 570833489 /nfs/dbraw/zinc/83/34/89/570833489.db2.gz JKKNQNYQETWEBU-OAHLLOKOSA-N -1 0 396.472 2.657 50 0 GFAARM COc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)cc1 ZINC000101802813 570835474 /nfs/dbraw/zinc/83/54/74/570835474.db2.gz QUMHTZSKHGSYGY-UHFFFAOYSA-N -1 0 375.432 2.938 50 0 GFAARM COc1ccc(C(=O)N2CCC(C(=O)NC[C@@H](C)C(=O)[O-])CC2)c2ccccc12 ZINC000097018698 570886649 /nfs/dbraw/zinc/88/66/49/570886649.db2.gz DIBLIHPVVOAIIP-CQSZACIVSA-N -1 0 398.459 2.538 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000071285446 570888329 /nfs/dbraw/zinc/88/83/29/570888329.db2.gz NDZPIEBSUCWQQH-SJORKVTESA-N -1 0 379.416 2.580 50 0 GFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1 ZINC000023125720 570910039 /nfs/dbraw/zinc/91/00/39/570910039.db2.gz JMQMQHGWAQCANR-QZTJIDSGSA-N -1 0 380.404 2.764 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002095354 570941258 /nfs/dbraw/zinc/94/12/58/570941258.db2.gz SVYHFIUVFJSAER-PZROIBLQSA-N -1 0 387.432 2.665 50 0 GFAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1 ZINC000237543731 570944767 /nfs/dbraw/zinc/94/47/67/570944767.db2.gz OIKRWSKRYDJDAW-SWLSCSKDSA-N -1 0 388.855 2.922 50 0 GFAARM COc1cc2[n-]c(=S)n(CCC(=O)N3CCC(C)CC3)c(=O)c2cc1OC ZINC000004767648 570972584 /nfs/dbraw/zinc/97/25/84/570972584.db2.gz KTKQTWYODLQXRF-UHFFFAOYSA-N -1 0 391.493 2.725 50 0 GFAARM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263302315 598170633 /nfs/dbraw/zinc/17/06/33/598170633.db2.gz XAFRYDVKFGPXQO-OSMZGAPFSA-N -1 0 385.258 2.641 50 0 GFAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(NC(=O)CCc2cscn2)c1 ZINC000262715050 600485357 /nfs/dbraw/zinc/48/53/57/600485357.db2.gz GMYOHEYOEHBTJL-MRXNPFEDSA-N -1 0 387.461 2.794 50 0 GFAARM CN1C(=O)C[C@H](C(=O)NC2CCC(C(=O)[O-])CC2)[C@H]1c1cccc(Cl)c1 ZINC000299746119 600609320 /nfs/dbraw/zinc/60/93/20/600609320.db2.gz VJVVBLXLRGWOMZ-YEPBWIEESA-N -1 0 378.856 2.619 50 0 GFAARM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000236921459 601085897 /nfs/dbraw/zinc/08/58/97/601085897.db2.gz KJPMRWCWYFWKOU-AWEZNQCLSA-N -1 0 386.370 2.648 50 0 GFAARM COc1cccc(CNC(=O)CCn2c(=O)c3sccc3[n-]c2=S)c1 ZINC000002932456 654438493 /nfs/dbraw/zinc/43/84/93/654438493.db2.gz JHKOIZQKMXXRGX-UHFFFAOYSA-N -1 0 375.475 2.836 50 0 GFAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000002805025 654438573 /nfs/dbraw/zinc/43/85/73/654438573.db2.gz WTJOAORPZLAWOY-UHFFFAOYSA-N -1 0 383.836 2.567 50 0 GFAARM COc1ccc(CNC(=O)CCn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000002932399 654438644 /nfs/dbraw/zinc/43/86/44/654438644.db2.gz DADWEJOZVLSJPF-UHFFFAOYSA-N -1 0 375.475 2.836 50 0 GFAARM CCn1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000001460409 203909886 /nfs/dbraw/zinc/90/98/86/203909886.db2.gz BGZONIBVLOVGMX-LSDHHAIUSA-N -1 0 388.468 2.571 50 0 GFAARM CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)cc2C1=O ZINC000003667954 204018595 /nfs/dbraw/zinc/01/85/95/204018595.db2.gz BXXJMYLNOJFJBI-UHFFFAOYSA-N -1 0 396.399 2.654 50 0 GFAARM CCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000004111092 204027804 /nfs/dbraw/zinc/02/78/04/204027804.db2.gz QLRQXDZZOUKNCI-MRXNPFEDSA-N -1 0 393.461 2.897 50 0 GFAARM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000004760713 204073989 /nfs/dbraw/zinc/07/39/89/204073989.db2.gz BCFXIICWEDEFQM-HOTGVXAUSA-N -1 0 396.509 2.650 50 0 GFAARM CCn1cc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c(C(=O)NCC(C)C)n1 ZINC000005962259 204159599 /nfs/dbraw/zinc/15/95/99/204159599.db2.gz AYLKFRZVXMXFIJ-HUUCEWRRSA-N -1 0 390.484 2.675 50 0 GFAARM O=C([O-])c1ccc(O)cc1NC(=O)c1ccccc1I ZINC000005583751 204141196 /nfs/dbraw/zinc/14/11/96/204141196.db2.gz KJEDAHHMALJFJP-UHFFFAOYSA-N -1 0 383.141 2.947 50 0 GFAARM COc1cccc(C[C@H](C(=O)Nc2ccc(C)cc2C)c2nnn[n-]2)c1OC ZINC000005681728 204146275 /nfs/dbraw/zinc/14/62/75/204146275.db2.gz OOGQLMZJVGFIAM-HNNXBMFYSA-N -1 0 381.436 2.799 50 0 GFAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000006706555 204193092 /nfs/dbraw/zinc/19/30/92/204193092.db2.gz OGYSCXQWZBTTHD-UHFFFAOYSA-N -1 0 379.434 2.908 50 0 GFAARM C[C@@H]1CCc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3CCc2ccccc2)C1 ZINC000006759908 204201443 /nfs/dbraw/zinc/20/14/43/204201443.db2.gz VOXDTHWZGDHJAA-CYBMUJFWSA-N -1 0 398.484 2.677 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000008197946 204265007 /nfs/dbraw/zinc/26/50/07/204265007.db2.gz SVYHFIUVFJSAER-VNBZBWLYSA-N -1 0 387.432 2.665 50 0 GFAARM COc1ccc2c(C)c(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc2c1C ZINC000011865657 204358142 /nfs/dbraw/zinc/35/81/42/204358142.db2.gz AJTGPBGCDBRZDR-OAHLLOKOSA-N -1 0 375.421 2.576 50 0 GFAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000032899955 204927315 /nfs/dbraw/zinc/92/73/15/204927315.db2.gz AMBYKFAAKXZFCY-UHFFFAOYSA-N -1 0 386.473 2.792 50 0 GFAARM COC(=O)c1cn(-c2ccccc2[N-]S(=O)(=O)c2cc(C)sc2C)nn1 ZINC000031648174 204904878 /nfs/dbraw/zinc/90/48/78/204904878.db2.gz SVVCBTLICGCHEA-UHFFFAOYSA-N -1 0 392.462 2.533 50 0 GFAARM O=C(CCc1nnc(-c2cccc(Cl)c2)[n-]c1=O)NCCc1ccccn1 ZINC000034767925 204976119 /nfs/dbraw/zinc/97/61/19/204976119.db2.gz MNGRNORRDRVOKN-UHFFFAOYSA-N -1 0 383.839 2.584 50 0 GFAARM CCc1nn2c(nnc3c2ccn(CCCC(=O)[O-])c3=O)c1-c1ccccc1 ZINC000040388400 205063182 /nfs/dbraw/zinc/06/31/82/205063182.db2.gz SAGBWNRJPZCTSE-UHFFFAOYSA-N -1 0 377.404 2.533 50 0 GFAARM COC(=O)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2OC)ccc1Cl ZINC000044330303 205084921 /nfs/dbraw/zinc/08/49/21/205084921.db2.gz PAPVGZOOJLJTPO-UHFFFAOYSA-N -1 0 385.825 2.945 50 0 GFAARM COc1ccccc1-c1nc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cs1 ZINC000299753845 205106898 /nfs/dbraw/zinc/10/68/98/205106898.db2.gz ZOBDJMRJCSSPML-CYBMUJFWSA-N -1 0 390.461 2.915 50 0 GFAARM CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)s1 ZINC000047293248 205110245 /nfs/dbraw/zinc/11/02/45/205110245.db2.gz OHZKEZNKTMNUAG-UHFFFAOYSA-N -1 0 391.478 2.522 50 0 GFAARM Cc1ccccc1C(=O)Nc1ccc(N(C)C[C@H]2COCCO2)c(C(=O)[O-])c1 ZINC000046053541 205102422 /nfs/dbraw/zinc/10/24/22/205102422.db2.gz SGCJBAZCGWYPEM-INIZCTEOSA-N -1 0 384.432 2.797 50 0 GFAARM COc1cccc([C@H]2CCN(C(=O)c3cccc(NCC(=O)[O-])c3)C2)c1OC ZINC000055183234 205145480 /nfs/dbraw/zinc/14/54/80/205145480.db2.gz JJZJUVHHVJNVRF-HNNXBMFYSA-N -1 0 384.432 2.830 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)NCc2cc[nH]n2)cc1 ZINC000058218637 205170120 /nfs/dbraw/zinc/17/01/20/205170120.db2.gz RPUXIUPWBMPTSA-UHFFFAOYSA-N -1 0 376.463 2.510 50 0 GFAARM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000059773259 205180923 /nfs/dbraw/zinc/18/09/23/205180923.db2.gz SRVALAOMATWAIB-UHFFFAOYSA-N -1 0 381.413 2.614 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)s2)cc1OC ZINC000064919905 205200620 /nfs/dbraw/zinc/20/06/20/205200620.db2.gz VZAJFKYPEYICNG-UHFFFAOYSA-N -1 0 381.435 2.925 50 0 GFAARM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C)nn32)c1 ZINC000065183970 205215483 /nfs/dbraw/zinc/21/54/83/205215483.db2.gz FGLOVVIECJBFPR-UHFFFAOYSA-N -1 0 394.478 2.810 50 0 GFAARM O=C([O-])Cc1cc(C2CCN(C(=O)c3c[nH]nc3C3CCCCC3)CC2)[nH]n1 ZINC000067973677 205269409 /nfs/dbraw/zinc/26/94/09/205269409.db2.gz OJSSPGWMWFOPJP-UHFFFAOYSA-N -1 0 385.468 2.827 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 ZINC000071285362 205280944 /nfs/dbraw/zinc/28/09/44/205280944.db2.gz UAEZIAPMEXQAKZ-IRXDYDNUSA-N -1 0 379.416 2.580 50 0 GFAARM O=C([O-])c1cc(-c2ccc(CO)cc2)cc(S(=O)(=O)NC2CCCC2)c1 ZINC000071763760 205296155 /nfs/dbraw/zinc/29/61/55/205296155.db2.gz DCKJSUFXJHYWPJ-UHFFFAOYSA-N -1 0 375.446 2.765 50 0 GFAARM CCCn1cc([C@@H]2CC(c3c([O-])[nH]c(=O)sc3=O)=Nc3ccccc3N2)cn1 ZINC000071785020 205297736 /nfs/dbraw/zinc/29/77/36/205297736.db2.gz WPUGFHSAHUMSNN-AWEZNQCLSA-N -1 0 397.460 2.786 50 0 GFAARM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000072015985 205303030 /nfs/dbraw/zinc/30/30/30/205303030.db2.gz LPEMEGQOFQSSCV-OLZOCXBDSA-N -1 0 376.400 2.656 50 0 GFAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000072146297 205310764 /nfs/dbraw/zinc/31/07/64/205310764.db2.gz CTZYOSMQLJWIIA-OAHLLOKOSA-N -1 0 378.432 2.982 50 0 GFAARM O=C(c1ccccc1)[C@H]1CCCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC000077520536 205365224 /nfs/dbraw/zinc/36/52/24/205365224.db2.gz RQBYOQPNAQBMRR-KRWDZBQOSA-N -1 0 375.428 2.901 50 0 GFAARM Cc1nn(C)c2nc(C)cc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)c12 ZINC000091504956 205416652 /nfs/dbraw/zinc/41/66/52/205416652.db2.gz JBNPCNQOCKBKBH-DLBZAZTESA-N -1 0 378.432 2.526 50 0 GFAARM COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c([O-])nc2ccccn2c1=O ZINC000096117522 205526012 /nfs/dbraw/zinc/52/60/12/205526012.db2.gz MCHWSBWVNUGPIQ-CYBMUJFWSA-N -1 0 390.342 2.697 50 0 GFAARM Cn1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cn1 ZINC000044321395 205663669 /nfs/dbraw/zinc/66/36/69/205663669.db2.gz SNLCYFZDTMMYJA-FQEVSTJZSA-N -1 0 391.427 2.955 50 0 GFAARM COc1ccc([C@H](NC(=O)Nc2ccc(OC)c(OC)c2)C(=O)[O-])c(OC)c1 ZINC000225486867 206050880 /nfs/dbraw/zinc/05/08/80/206050880.db2.gz RYKYNTYYLVZTMP-KRWDZBQOSA-N -1 0 390.392 2.668 50 0 GFAARM CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2c(C)nc(N(C)C)nc2C)c1 ZINC000096098610 206114919 /nfs/dbraw/zinc/11/49/19/206114919.db2.gz JJGQFTKARPYABI-UHFFFAOYSA-N -1 0 394.497 2.758 50 0 GFAARM COC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000004281897 206214971 /nfs/dbraw/zinc/21/49/71/206214971.db2.gz DQJCYEDLMBWMFG-WBVHZDCISA-N -1 0 397.818 2.556 50 0 GFAARM O=C([O-])C[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1ccc(F)cc1 ZINC000299749061 132425394 /nfs/dbraw/zinc/42/53/94/132425394.db2.gz JAMUTJUPUHDIDO-AWEZNQCLSA-N -1 0 388.420 2.597 50 0 GFAARM CCN1CCN(c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2F)CC1 ZINC000236997306 136191966 /nfs/dbraw/zinc/19/19/66/136191966.db2.gz KBLSURSIQNGUGK-IBGZPJMESA-N -1 0 385.439 2.523 50 0 GFAARM Cc1c(=O)c2cccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c2oc1-c1ccccc1 ZINC000408513461 533706924 /nfs/dbraw/zinc/70/69/24/533706924.db2.gz QMNYXLXFRIOLFT-KRWDZBQOSA-N -1 0 393.395 2.694 50 0 GFAARM CC(C)[C@@H](C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)n1cnc2ccccc2c1=O ZINC000238937281 519789293 /nfs/dbraw/zinc/78/92/93/519789293.db2.gz UXTAEYAURAEDPJ-MPGHIAIKSA-N -1 0 385.464 2.601 50 0 GFAARM COc1ccccc1OC1(C(=O)[O-])CCN(c2nccnc2N2CCCC2)CC1 ZINC000082148340 537088068 /nfs/dbraw/zinc/08/80/68/537088068.db2.gz GMFQPQFVNLIJIX-UHFFFAOYSA-N -1 0 398.463 2.588 50 0 GFAARM CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006343583 551098651 /nfs/dbraw/zinc/09/86/51/551098651.db2.gz COZRRBDAQGPTQU-UHFFFAOYSA-N -1 0 383.267 2.952 50 0 GFAARM O=C([O-])CNC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 ZINC000012985763 551108397 /nfs/dbraw/zinc/10/83/97/551108397.db2.gz ANFBPPDXCFNZPV-UHFFFAOYSA-N -1 0 383.838 2.898 50 0 GFAARM O=C([O-])Cc1csc(NC(=O)c2ccccc2I)n1 ZINC000013405848 551108951 /nfs/dbraw/zinc/10/89/51/551108951.db2.gz ZUHHMXMOGIHPHD-UHFFFAOYSA-N -1 0 388.186 2.627 50 0 GFAARM COc1cccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000016960404 551112488 /nfs/dbraw/zinc/11/24/88/551112488.db2.gz BWSIXRXYENNWNG-UHFFFAOYSA-N -1 0 377.447 2.537 50 0 GFAARM Cc1cc(COc2ccccc2)oc1C(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)[O-] ZINC000096130349 570210672 /nfs/dbraw/zinc/21/06/72/570210672.db2.gz WARHVWVKCUDVHG-QGZVFWFLSA-N -1 0 381.388 2.714 50 0 GFAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000643515 570213707 /nfs/dbraw/zinc/21/37/07/570213707.db2.gz FXOGBTZUZYXHKQ-UHFFFAOYSA-N -1 0 383.809 2.714 50 0 GFAARM O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2nccs2)C3=O)cc1 ZINC000000853021 570226859 /nfs/dbraw/zinc/22/68/59/570226859.db2.gz ZVZRQFUKAUGCLQ-UHFFFAOYSA-N -1 0 378.365 2.873 50 0 GFAARM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000000917336 570229845 /nfs/dbraw/zinc/22/98/45/570229845.db2.gz OHBWPKCNWSHILC-UHFFFAOYSA-N -1 0 384.417 2.538 50 0 GFAARM CC(C)(C)OC(=O)N1C[C@@]2(CC2(Br)Br)C[C@H]1C(=O)[O-] ZINC000097436607 570243955 /nfs/dbraw/zinc/24/39/55/570243955.db2.gz HYIIWDPUZNALMC-CPCISQLKSA-N -1 0 399.079 2.957 50 0 GFAARM CCOC(=O)CSc1n[n-]c2nc3c(c(=O)n21)[C@@](C)(CC)Cc1ccccc1-3 ZINC000101170580 570255624 /nfs/dbraw/zinc/25/56/24/570255624.db2.gz QNGJMQMZPDVAKP-FQEVSTJZSA-N -1 0 398.488 2.964 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2COc3ccccc3C2)cc1OC ZINC000013257268 570257969 /nfs/dbraw/zinc/25/79/69/570257969.db2.gz WFVOYHYASFCENQ-HZPDHXFCSA-N -1 0 385.416 2.587 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)N2CCSCC2)cc1 ZINC000049004160 570261731 /nfs/dbraw/zinc/26/17/31/570261731.db2.gz NLPGVQWKWOFPQK-UHFFFAOYSA-N -1 0 398.531 2.747 50 0 GFAARM O=C([O-])CCC(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000001481892 570264098 /nfs/dbraw/zinc/26/40/98/570264098.db2.gz UCUOKZUJHTYPJT-IBGZPJMESA-N -1 0 386.791 2.864 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000002787445 570302266 /nfs/dbraw/zinc/30/22/66/570302266.db2.gz ACCQGHIXOMPUAC-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)N1CCc2ccccc21 ZINC000002859698 570310966 /nfs/dbraw/zinc/31/09/66/570310966.db2.gz YKRQOXKXOSASAY-UHFFFAOYSA-N -1 0 379.441 2.620 50 0 GFAARM CNc1nc([N-]c2nc(C)cc(C)n2)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000003039799 570326988 /nfs/dbraw/zinc/32/69/88/570326988.db2.gz ISCDKMUFENWGEX-UHFFFAOYSA-N -1 0 397.283 2.936 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N(C)C[C@@H]3CCCO3)cc2)c(C)c1CCC(=O)[O-] ZINC000237230265 570339394 /nfs/dbraw/zinc/33/93/94/570339394.db2.gz IUZJLCKBOZSOIL-SFHVURJKSA-N -1 0 385.464 2.757 50 0 GFAARM COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000035378071 570346446 /nfs/dbraw/zinc/34/64/46/570346446.db2.gz CSEMICXCSKQQHE-UHFFFAOYSA-N -1 0 385.445 2.863 50 0 GFAARM COC(=O)C[C@@H](c1ccc(F)c(Cl)c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205973872 570356918 /nfs/dbraw/zinc/35/69/18/570356918.db2.gz XNFUMMZYDMGHNR-NSHDSACASA-N -1 0 376.771 2.888 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000221906917 570374487 /nfs/dbraw/zinc/37/44/87/570374487.db2.gz BRKODXKTUZABBD-MRVWCRGKSA-N -1 0 375.812 2.817 50 0 GFAARM Cc1oc(-c2cccs2)nc1CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000237662200 570388824 /nfs/dbraw/zinc/38/88/24/570388824.db2.gz VYKCSEMREUBBPK-CYBMUJFWSA-N -1 0 378.450 2.736 50 0 GFAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000025044268 570403700 /nfs/dbraw/zinc/40/37/00/570403700.db2.gz FEAXOIDWUDLHKZ-UHFFFAOYSA-N -1 0 399.490 2.688 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)C(=O)[O-] ZINC000238899989 570427577 /nfs/dbraw/zinc/42/75/77/570427577.db2.gz HNUPIHOETWAZJL-NNFUDEMPSA-N -1 0 399.491 2.818 50 0 GFAARM COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1C[C@H]1C(=O)[O-])CC2 ZINC000268880524 570432682 /nfs/dbraw/zinc/43/26/82/570432682.db2.gz DEFHSJCLNQXTIX-PMUMKWKESA-N -1 0 387.457 2.960 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C1(c2ccccc2F)CC1 ZINC000158851153 570482291 /nfs/dbraw/zinc/48/22/91/570482291.db2.gz FIMMFDVFJMMRMZ-UHFFFAOYSA-N -1 0 388.342 2.776 50 0 GFAARM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2csc(-c3ccco3)n2)C1=O ZINC000030521322 570490504 /nfs/dbraw/zinc/49/05/04/570490504.db2.gz XUJWPMQSSXDSCM-LJQANCHMSA-N -1 0 396.428 2.905 50 0 GFAARM CCn1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000002809387 570519537 /nfs/dbraw/zinc/51/95/37/570519537.db2.gz DOLNZHMTHIGWGW-GJZGRUSLSA-N -1 0 390.484 2.795 50 0 GFAARM CCOc1cc(C(=O)N2CCC(C(=O)[O-])CC2)ccc1OCc1cccnc1 ZINC000269153315 570532684 /nfs/dbraw/zinc/53/26/84/570532684.db2.gz SZIILZXFJOAQIQ-UHFFFAOYSA-N -1 0 384.432 2.996 50 0 GFAARM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1N1CCCC1=O ZINC000005329548 570554779 /nfs/dbraw/zinc/55/47/79/570554779.db2.gz DPYGETFGDKAIIG-UHFFFAOYSA-N -1 0 388.445 2.694 50 0 GFAARM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCOCC3)c([O-])n2n1 ZINC000022854299 570556808 /nfs/dbraw/zinc/55/68/08/570556808.db2.gz BVEKBEDQUPXVOW-AWEZNQCLSA-N -1 0 380.420 2.759 50 0 GFAARM O=C(Cn1c([O-])nc2c(-c3ccccc3F)c[nH]c2c1=O)NCc1ccccc1 ZINC000033038059 570674016 /nfs/dbraw/zinc/67/40/16/570674016.db2.gz YJIXVRGUGTZLEZ-UHFFFAOYSA-N -1 0 392.390 2.553 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000013427495 570754864 /nfs/dbraw/zinc/75/48/64/570754864.db2.gz YYARFUCSCIIGCU-SFHVURJKSA-N -1 0 382.416 2.550 50 0 GFAARM Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1C ZINC000013468546 570755467 /nfs/dbraw/zinc/75/54/67/570755467.db2.gz RIBMZCYTQKNOGN-UHFFFAOYSA-N -1 0 396.509 2.917 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4c(F)cccc4Cl)c=3c2=O)cc1 ZINC000101167083 570814711 /nfs/dbraw/zinc/81/47/11/570814711.db2.gz YCDYCTSTZLKMNI-CVEARBPZSA-N -1 0 388.786 2.981 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1C ZINC000101169341 570815253 /nfs/dbraw/zinc/81/52/53/570815253.db2.gz RCENVAMDHBFNCK-OALUTQOASA-N -1 0 391.431 2.544 50 0 GFAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC[C@H]3CCCO3)cc2[n-]c1=S ZINC000102043481 570839419 /nfs/dbraw/zinc/83/94/19/570839419.db2.gz KVFUDCGVNDOCDO-GXTWGEPZSA-N -1 0 375.494 2.783 50 0 GFAARM CCOc1cc2c(cc1CNS(=O)(=O)c1ccsc1C(=O)[O-])O[C@H](C)C2 ZINC000032885528 570885051 /nfs/dbraw/zinc/88/50/51/570885051.db2.gz GFOALSJKLMJBRH-SNVBAGLBSA-N -1 0 397.474 2.647 50 0 GFAARM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000103598309 570887799 /nfs/dbraw/zinc/88/77/99/570887799.db2.gz BCFLFWGIXLIAIV-JTQLQIEISA-N -1 0 387.436 2.861 50 0 GFAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000012604619 570888330 /nfs/dbraw/zinc/88/83/30/570888330.db2.gz ZVLNZSPRPSNDAQ-UHFFFAOYSA-N -1 0 391.445 2.986 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000120932854 570890419 /nfs/dbraw/zinc/89/04/19/570890419.db2.gz JPAAYWNQQPKMPV-KGLIPLIRSA-N -1 0 386.351 2.589 50 0 GFAARM O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990688 570902723 /nfs/dbraw/zinc/90/27/23/570902723.db2.gz XJOYVPRNFZGOIN-UHFFFAOYSA-N -1 0 377.326 2.632 50 0 GFAARM Cc1ccnc(-n2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)n3)cn2)c1 ZINC000089701871 570909766 /nfs/dbraw/zinc/90/97/66/570909766.db2.gz FDJWNHGABJOWBV-UHFFFAOYSA-N -1 0 383.355 2.790 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1 ZINC000023125749 570909870 /nfs/dbraw/zinc/90/98/70/570909870.db2.gz WDQZGRMUVKQWMB-QZTJIDSGSA-N -1 0 380.404 2.818 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000023125734 570909989 /nfs/dbraw/zinc/90/99/89/570909989.db2.gz AKVYBWSAHWGHLN-CVEARBPZSA-N -1 0 386.795 2.855 50 0 GFAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000017076957 570938902 /nfs/dbraw/zinc/93/89/02/570938902.db2.gz HASWTHLRVOFVJZ-UHFFFAOYSA-N -1 0 376.434 2.953 50 0 GFAARM O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000017079301 570940405 /nfs/dbraw/zinc/94/04/05/570940405.db2.gz XJXJNANBVKEICH-UHFFFAOYSA-N -1 0 388.445 2.631 50 0 GFAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)cc1COc1ccccc1F ZINC000002110269 570950240 /nfs/dbraw/zinc/95/02/40/570950240.db2.gz DSBIRTBUTMGDJM-LPHOPBHVSA-N -1 0 397.406 2.825 50 0 GFAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002124293 570957188 /nfs/dbraw/zinc/95/71/88/570957188.db2.gz KKGJKNOQCPDVMW-YJYMSZOUSA-N -1 0 381.384 2.811 50 0 GFAARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])cc1OC ZINC000001215770 570959487 /nfs/dbraw/zinc/95/94/87/570959487.db2.gz NROYOGFUUAKRBH-OVCLIPMQSA-N -1 0 397.387 2.690 50 0 GFAARM CSCC[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002200932 571000077 /nfs/dbraw/zinc/00/00/77/571000077.db2.gz JQOCZYXSNHPMAR-OLCHLOJWSA-N -1 0 398.484 2.780 50 0 GFAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(cc2OC)CCC3)C1 ZINC000092028987 571041890 /nfs/dbraw/zinc/04/18/90/571041890.db2.gz DOSIOKQLAOLIGN-OAQYLSRUSA-N -1 0 375.465 2.918 50 0 GFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)Cn3cnc4ccsc4c3=O)C2)c1 ZINC000095367453 571059512 /nfs/dbraw/zinc/05/95/12/571059512.db2.gz NGSIYCYTNNKHER-OAHLLOKOSA-N -1 0 397.456 2.562 50 0 GFAARM Cc1c2ccc(C)cc2oc1C(=O)N1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000095384483 571069604 /nfs/dbraw/zinc/06/96/04/571069604.db2.gz YZKFIRDNRBLPIR-HNNXBMFYSA-N -1 0 384.432 2.587 50 0 GFAARM COc1ccc(F)cc1[C@H](C(=O)[O-])N1CCN(Cc2csc(C)n2)CC1 ZINC000095385393 571069866 /nfs/dbraw/zinc/06/98/66/571069866.db2.gz VROFXJAHQAUSLB-QGZVFWFLSA-N -1 0 379.457 2.543 50 0 GFAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cc(C3CC3)n(C)n1)CC2 ZINC000630161946 600996120 /nfs/dbraw/zinc/99/61/20/600996120.db2.gz VQCXJHJBZOFWFF-QGZVFWFLSA-N -1 0 399.447 2.529 50 0 GFAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C=Cc2cncc(F)c2)c1 ZINC000133962217 654978809 /nfs/dbraw/zinc/97/88/09/654978809.db2.gz QDPNKIADFDSOFA-GORDUTHDSA-N -1 0 382.800 2.595 50 0 GFAARM COc1ccc(-c2nc([N-]S(=O)(=O)c3cnc(C4CC4)s3)no2)cc1 ZINC000888099613 663178110 /nfs/dbraw/zinc/17/81/10/663178110.db2.gz SOWOQATXLMBQFD-UHFFFAOYSA-N -1 0 378.435 2.880 50 0 GFAARM COc1cc(C(=O)[O-])cc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)c1 ZINC000426612645 231246575 /nfs/dbraw/zinc/24/65/75/231246575.db2.gz UHQGHZKMXWQSJP-LJQANCHMSA-N -1 0 383.448 2.745 50 0 GFAARM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000004760715 204073993 /nfs/dbraw/zinc/07/39/93/204073993.db2.gz BCFXIICWEDEFQM-JKSUJKDBSA-N -1 0 396.509 2.650 50 0 GFAARM O=C([O-])Cn1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000004845643 204082538 /nfs/dbraw/zinc/08/25/38/204082538.db2.gz DBMSDVRICLWZII-RQZCQDPDSA-N -1 0 393.374 2.958 50 0 GFAARM CC(C)(C)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(N)c1 ZINC000004865434 204084605 /nfs/dbraw/zinc/08/46/05/204084605.db2.gz NYCMHDBOZUAJRC-UHFFFAOYSA-N -1 0 390.461 2.842 50 0 GFAARM C[S@@](=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004899536 204088293 /nfs/dbraw/zinc/08/82/93/204088293.db2.gz CEHRSUBRZOGRSW-MYUZEXMDSA-N -1 0 387.457 2.747 50 0 GFAARM COC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000005177967 204116648 /nfs/dbraw/zinc/11/66/48/204116648.db2.gz JIOWDABCXAKUTG-DOTOQJQBSA-N -1 0 397.818 2.556 50 0 GFAARM C[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)Nc1ccccc1C(N)=O ZINC000004999463 204101369 /nfs/dbraw/zinc/10/13/69/204101369.db2.gz QQDHCFXGAFHSFT-LBPRGKRZSA-N -1 0 394.456 2.655 50 0 GFAARM Cc1c(C(N)=O)sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000006184388 204169882 /nfs/dbraw/zinc/16/98/82/204169882.db2.gz STINFIHLUWESGO-GHMZBOCLSA-N -1 0 396.465 2.550 50 0 GFAARM O=C(Nc1ccc(Cl)cc1Cl)C(=O)C1=S([O-])c2ccccc2NC1=O ZINC000005739296 204150535 /nfs/dbraw/zinc/15/05/35/204150535.db2.gz PTUIGLJFYKYTGB-HWRSSNJWSA-N -1 0 397.239 2.630 50 0 GFAARM O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000005351595 204128895 /nfs/dbraw/zinc/12/88/95/204128895.db2.gz HKRJWTJCMKZWAU-OVCLIPMQSA-N -1 0 398.396 2.765 50 0 GFAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NC[C@H](O)c1ccccc1 ZINC000006659703 204189231 /nfs/dbraw/zinc/18/92/31/204189231.db2.gz BTBJQZHEDRXHSA-KRWDZBQOSA-N -1 0 387.819 2.853 50 0 GFAARM CCOc1ccccc1N1CCN(C(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])CC1 ZINC000006715189 204194026 /nfs/dbraw/zinc/19/40/26/204194026.db2.gz SLONXHAASRIKPK-YEYPGUGLSA-N -1 0 386.492 2.871 50 0 GFAARM COc1cccc(CN2CCN(C(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])CC2)c1 ZINC000006727040 204195123 /nfs/dbraw/zinc/19/51/23/204195123.db2.gz NMRKHYOCKIUMBD-VQTJNVASSA-N -1 0 386.492 2.787 50 0 GFAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000006726488 204195528 /nfs/dbraw/zinc/19/55/28/204195528.db2.gz NXXBTQPXCGPQEY-SZUQWTIJSA-N -1 0 382.504 2.981 50 0 GFAARM O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(C(=O)[O-])cc1 ZINC000007813828 204252806 /nfs/dbraw/zinc/25/28/06/204252806.db2.gz RYQXBCDSDDDZIH-UHFFFAOYSA-N -1 0 379.368 2.997 50 0 GFAARM CC(=O)Nc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000009244793 204304377 /nfs/dbraw/zinc/30/43/77/204304377.db2.gz RQMAXCODCXMWJS-QGOAFFKASA-N -1 0 392.415 2.610 50 0 GFAARM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000009367488 204309021 /nfs/dbraw/zinc/30/90/21/204309021.db2.gz ZZICZIWKQVBDTH-UHFFFAOYSA-N -1 0 396.309 2.715 50 0 GFAARM C[C@H]1Sc2ccc(C(=O)OCc3nc(=O)c4sccc4[n-]3)cc2NC1=O ZINC000009154310 204300885 /nfs/dbraw/zinc/30/08/85/204300885.db2.gz JWSAJUGQIQBIES-MRVPVSSYSA-N -1 0 387.442 2.774 50 0 GFAARM Cc1c2c(cc(=O)n1C[C@@H]1CCCO1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012406746 204404717 /nfs/dbraw/zinc/40/47/17/204404717.db2.gz YYHOGWSAZZDCNT-LBPRGKRZSA-N -1 0 382.445 2.578 50 0 GFAARM CC(C)C(=O)Nc1cccc(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000012760049 204444174 /nfs/dbraw/zinc/44/41/74/204444174.db2.gz BMWJUNVLMPYHGW-UHFFFAOYSA-N -1 0 389.477 2.583 50 0 GFAARM O=C(Nc1ccc(OCc2ccccc2)cc1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000040118687 205053646 /nfs/dbraw/zinc/05/36/46/205053646.db2.gz WFRAOLBAXOUULX-UHFFFAOYSA-N -1 0 388.383 2.855 50 0 GFAARM C[C@H](Cn1ccnc1)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040154181 205060343 /nfs/dbraw/zinc/06/03/43/205060343.db2.gz PNWZKCBOBIMSDP-CYBMUJFWSA-N -1 0 390.490 2.564 50 0 GFAARM CCc1nn2c(nnc3c(=O)n([C@H](C)C(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040395917 205063918 /nfs/dbraw/zinc/06/39/18/205063918.db2.gz OZOSLSFSGKAJAQ-SNVBAGLBSA-N -1 0 397.822 2.968 50 0 GFAARM CC(=O)Oc1c(Br)cc(Br)c(OC(C)=O)c1C(=O)[O-] ZINC000044125684 205084599 /nfs/dbraw/zinc/08/45/99/205084599.db2.gz QSOJTJVVIGRUDJ-UHFFFAOYSA-N -1 0 395.987 2.760 50 0 GFAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(-n3cc(Br)cn3)c2)C1 ZINC000299743579 205097526 /nfs/dbraw/zinc/09/75/26/205097526.db2.gz LLRNMUVJQXFMFM-INIZCTEOSA-N -1 0 378.226 2.572 50 0 GFAARM COc1ccc(CNC(=O)c2cc(C)ccc2N2CCCC2=O)cc1C(=O)[O-] ZINC000299742261 205098051 /nfs/dbraw/zinc/09/80/51/205098051.db2.gz AXBNKUPQESSPTK-UHFFFAOYSA-N -1 0 382.416 2.759 50 0 GFAARM CN(CCC(=O)[O-])C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000299753895 205107041 /nfs/dbraw/zinc/10/70/41/205107041.db2.gz ZSCZOOIQWQMNAP-BBRMVZONSA-N -1 0 386.370 2.548 50 0 GFAARM CN1C(=O)C[C@H](C(=O)NC2CCC(C(=O)[O-])CC2)[C@@H]1c1cccc(Cl)c1 ZINC000299746120 205099636 /nfs/dbraw/zinc/09/96/36/205099636.db2.gz VJVVBLXLRGWOMZ-ZSYHQQOQSA-N -1 0 378.856 2.619 50 0 GFAARM COc1ccc(CNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC000299748714 205100349 /nfs/dbraw/zinc/10/03/49/205100349.db2.gz HYGYHYWPPUBTTB-RHSMWYFYSA-N -1 0 396.443 2.619 50 0 GFAARM COc1ccc(CNC(=O)c2ccccc2OC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299748483 205101521 /nfs/dbraw/zinc/10/15/21/205101521.db2.gz HEFQKEJIYDIOOX-OAHLLOKOSA-N -1 0 385.416 2.881 50 0 GFAARM Cc1cccc(C(=O)Nc2ccc(N(C)C[C@H]3COCCO3)c(C(=O)[O-])c2)c1 ZINC000046053543 205103536 /nfs/dbraw/zinc/10/35/36/205103536.db2.gz LWTOENSJVXDVCB-KRWDZBQOSA-N -1 0 384.432 2.797 50 0 GFAARM CCCn1nccc1C(=O)Nc1ccccc1-c1nnc(SCC)[n-]c1=O ZINC000055342030 205147329 /nfs/dbraw/zinc/14/73/29/205147329.db2.gz DLCKIUQWNOCVMP-UHFFFAOYSA-N -1 0 384.465 2.803 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc2c1OCCO2 ZINC000057115856 205152852 /nfs/dbraw/zinc/15/28/52/205152852.db2.gz BFQVFOUHSMGQRT-UHFFFAOYSA-N -1 0 387.772 2.749 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(=O)N(C)C)c2)s1 ZINC000050533381 205131483 /nfs/dbraw/zinc/13/14/83/205131483.db2.gz GVSHHSPHFZZADM-UHFFFAOYSA-N -1 0 377.491 2.900 50 0 GFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3nnc(C)o3)cs2)c1 ZINC000065098559 205210776 /nfs/dbraw/zinc/21/07/76/205210776.db2.gz WBNLPVFDAPSOFE-UHFFFAOYSA-N -1 0 381.435 2.925 50 0 GFAARM COc1ccccc1NC(=O)c1c([O-])c2cnn(-c3cccc(C)c3)c2[nH]c1=O ZINC000065250033 205222085 /nfs/dbraw/zinc/22/20/85/205222085.db2.gz WRLGGFLHBLCKON-UHFFFAOYSA-N -1 0 390.399 2.989 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2cc(C)ccc2O)ccc1N1CCCC1=O ZINC000065625652 205239003 /nfs/dbraw/zinc/23/90/03/205239003.db2.gz YALPCPZPIMGQEZ-UHFFFAOYSA-N -1 0 376.434 2.637 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(C(=O)Nc2ccccn2)c(Cl)c1 ZINC000071286520 205281162 /nfs/dbraw/zinc/28/11/62/205281162.db2.gz YVNAYWUSLAEIAL-UHFFFAOYSA-N -1 0 397.778 2.728 50 0 GFAARM Cc1ccsc1-c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000071751835 205291875 /nfs/dbraw/zinc/29/18/75/205291875.db2.gz NSDRWBURZQRKMR-AWEZNQCLSA-N -1 0 381.475 2.879 50 0 GFAARM CN1c2ccccc2[C@@](CC(=O)NCCCC(=O)[O-])(Cc2ccccc2)C1=O ZINC000071758871 205293186 /nfs/dbraw/zinc/29/31/86/205293186.db2.gz XJQCRUQJYODUDT-QFIPXVFZSA-N -1 0 380.444 2.515 50 0 GFAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc3c(c2)OCCO3)c1 ZINC000071764259 205294766 /nfs/dbraw/zinc/29/47/66/205294766.db2.gz MZLZZTIOPQFFKN-UHFFFAOYSA-N -1 0 377.418 2.510 50 0 GFAARM O=C([O-])C1(O)CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000071763281 205295631 /nfs/dbraw/zinc/29/56/31/205295631.db2.gz KQFJCKMKFRYXIU-UHFFFAOYSA-N -1 0 376.412 2.954 50 0 GFAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)c1ccc(N3CCCC3)cc1)C2 ZINC000072481224 205355873 /nfs/dbraw/zinc/35/58/73/205355873.db2.gz NCVOCDRKBFOSHD-UHFFFAOYSA-N -1 0 382.464 2.547 50 0 GFAARM NC(=O)[C@H]1CCCN1[C@@H](C(=O)[O-])c1c[nH]c2cc(OCc3ccccc3)ccc21 ZINC000080356962 205385674 /nfs/dbraw/zinc/38/56/74/205385674.db2.gz KTDJJSNWLNTZSV-WOJBJXKFSA-N -1 0 393.443 2.822 50 0 GFAARM O=C([O-])COc1cccc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000095424353 205455918 /nfs/dbraw/zinc/45/59/18/205455918.db2.gz FAGXYMCQRDPPAO-KRWDZBQOSA-N -1 0 383.400 2.899 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccccc2F)cc1 ZINC000096361250 205562495 /nfs/dbraw/zinc/56/24/95/205562495.db2.gz XLEFDKMBCINLTF-UHFFFAOYSA-N -1 0 388.424 2.588 50 0 GFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C4CC4)o3)c2)c1 ZINC000096321628 205559335 /nfs/dbraw/zinc/55/93/35/205559335.db2.gz SZSLPQCSSCEEAI-UHFFFAOYSA-N -1 0 390.421 2.760 50 0 GFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000237662040 205684094 /nfs/dbraw/zinc/68/40/94/205684094.db2.gz BCEJNAFKXYDECP-MRXNPFEDSA-N -1 0 378.226 2.572 50 0 GFAARM O=S(=O)([N-]c1ccc(Cn2cncn2)cc1)c1ccc(Br)s1 ZINC000031776507 206088726 /nfs/dbraw/zinc/08/87/26/206088726.db2.gz ABKJTOAUOXPAPB-UHFFFAOYSA-N -1 0 399.295 2.951 50 0 GFAARM CCC12CN3CC(C)(CN(C1)C3c1cn(CCC(=O)[O-])c3ccccc13)C2=O ZINC000032124108 206089029 /nfs/dbraw/zinc/08/90/29/206089029.db2.gz NBUBMQJKVAKTQN-UHFFFAOYSA-N -1 0 381.476 2.731 50 0 GFAARM C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)C1=O ZINC000013428008 206089069 /nfs/dbraw/zinc/08/90/69/206089069.db2.gz DCHUISHEHHPLIQ-ZBFHGGJFSA-N -1 0 382.416 2.523 50 0 GFAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)c1 ZINC000064976627 206106641 /nfs/dbraw/zinc/10/66/41/206106641.db2.gz SIFLPHOSULGSKQ-UHFFFAOYSA-N -1 0 379.869 2.948 50 0 GFAARM C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000194926180 206223705 /nfs/dbraw/zinc/22/37/05/206223705.db2.gz SBLKRDVGJWVIPQ-LZJOCLMNSA-N -1 0 396.487 2.722 50 0 GFAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008694580 206224116 /nfs/dbraw/zinc/22/41/16/206224116.db2.gz YXXRVSYQDSBZML-GCJKJVERSA-N -1 0 375.428 2.871 50 0 GFAARM Cc1cc(Br)c([O-])c(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000058405778 136155349 /nfs/dbraw/zinc/15/53/49/136155349.db2.gz IVJLCDZIWJKMNP-GFCCVEGCSA-N -1 0 391.269 2.652 50 0 GFAARM COc1ccc([C@H](C(=O)[O-])N2CCN(c3ccc(Cl)cn3)CC2)c(C)c1 ZINC000095368647 136178274 /nfs/dbraw/zinc/17/82/74/136178274.db2.gz RRUKCMMJFXFZLM-GOSISDBHSA-N -1 0 375.856 3.000 50 0 GFAARM Cc1n[n-]c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc1=O ZINC000019795434 136202409 /nfs/dbraw/zinc/20/24/09/136202409.db2.gz SHLLXORMEVSOKN-UHFFFAOYSA-N -1 0 397.429 2.663 50 0 GFAARM CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])N2CCOCC2)cc1 ZINC000022854282 521233827 /nfs/dbraw/zinc/23/38/27/521233827.db2.gz ZPEWBBXOTVHBEN-INIZCTEOSA-N -1 0 388.493 2.879 50 0 GFAARM C[C@H](O)[C@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938081 551091702 /nfs/dbraw/zinc/09/17/02/551091702.db2.gz XTMIDCQCTISXHT-WDGYUPOISA-N -1 0 387.002 2.730 50 0 GFAARM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000003581338 551093799 /nfs/dbraw/zinc/09/37/99/551093799.db2.gz YSQNJAWCDUAEAF-UHFFFAOYSA-N -1 0 386.470 2.657 50 0 GFAARM Cn1nc(-c2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)ccc1=O ZINC000010324818 551104437 /nfs/dbraw/zinc/10/44/37/551104437.db2.gz AULHVCDRROWFPE-UHFFFAOYSA-N -1 0 375.837 2.902 50 0 GFAARM COCCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000013016798 551108292 /nfs/dbraw/zinc/10/82/92/551108292.db2.gz DMTUFAKMVHLJLB-UHFFFAOYSA-N -1 0 389.882 2.937 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000165542135 551629575 /nfs/dbraw/zinc/62/95/75/551629575.db2.gz NRRIGIBTSAIVLJ-VIFPVBQESA-N -1 0 379.210 2.640 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCO1 ZINC000321889829 563448876 /nfs/dbraw/zinc/44/88/76/563448876.db2.gz LFDKNAIGFZOUGY-SNVBAGLBSA-N -1 0 397.147 2.785 50 0 GFAARM Cn1nc(C(=O)[O-])cc1C(=O)N1CC(C)(C)c2cc(Br)ccc21 ZINC000630274610 565892949 /nfs/dbraw/zinc/89/29/49/565892949.db2.gz QQSNURPRDINDHF-UHFFFAOYSA-N -1 0 378.226 2.819 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)no1 ZINC000000677974 570216438 /nfs/dbraw/zinc/21/64/38/570216438.db2.gz TVXGQLIDZUKVFW-UHFFFAOYSA-N -1 0 383.385 2.584 50 0 GFAARM CCc1ccc(NC(=O)CSc2nnnn2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000000778709 570222544 /nfs/dbraw/zinc/22/25/44/570222544.db2.gz RRTPGJBHMFDRKL-UHFFFAOYSA-N -1 0 383.433 2.654 50 0 GFAARM O=C([O-])c1cccnc1SCC(=O)Nc1ccc2c(c1)N1CCN=C1S2 ZINC000020436650 570255519 /nfs/dbraw/zinc/25/55/19/570255519.db2.gz JCDGCSWZMXVLJD-UHFFFAOYSA-N -1 0 386.458 2.792 50 0 GFAARM CC(C)n1c2ccc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc2nc1C(F)(F)F ZINC000236701257 570256438 /nfs/dbraw/zinc/25/64/38/570256438.db2.gz FDFFAQSNJOEDGD-LBPRGKRZSA-N -1 0 399.369 2.952 50 0 GFAARM O=C1c2cc([N-]S(=O)(=O)c3cccnc3)ccc2OCC[C@H]2CCCCN12 ZINC000049030396 570260745 /nfs/dbraw/zinc/26/07/45/570260745.db2.gz HHOCUKQIEGKDFR-OAHLLOKOSA-N -1 0 387.461 2.660 50 0 GFAARM CN(C)c1cccc(C(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000015861942 570278518 /nfs/dbraw/zinc/27/85/18/570278518.db2.gz WYDSRSVDZOKQOD-UHFFFAOYSA-N -1 0 390.490 2.986 50 0 GFAARM CCOc1ccc(-n2c(O)c3n(-c4cccc(C)c4)[n-]c(C(C)=O)c-3c2=O)cc1 ZINC000100982820 570280183 /nfs/dbraw/zinc/28/01/83/570280183.db2.gz XJBNOZBZSXDAQZ-QUCCMNQESA-N -1 0 391.427 2.717 50 0 GFAARM COC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c(=O)nc2ccccn2c1[O-] ZINC000205949611 570328138 /nfs/dbraw/zinc/32/81/38/570328138.db2.gz XMJGAEGJMFLCML-OAHLLOKOSA-N -1 0 378.384 2.523 50 0 GFAARM CCOc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)[O-])cc1 ZINC000003319043 570338659 /nfs/dbraw/zinc/33/86/59/570338659.db2.gz LFOWPNYNQJVOGO-SFHVURJKSA-N -1 0 375.446 2.848 50 0 GFAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000023018956 570340592 /nfs/dbraw/zinc/34/05/92/570340592.db2.gz ZQFQKMXAUVNBJX-RUDMXATFSA-N -1 0 375.402 2.747 50 0 GFAARM COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(C)c12 ZINC000006281581 570360572 /nfs/dbraw/zinc/36/05/72/570360572.db2.gz JFMINVBDFYTFLG-HXUWFJFHSA-N -1 0 395.411 2.903 50 0 GFAARM C[C@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000237482954 570371955 /nfs/dbraw/zinc/37/19/55/570371955.db2.gz RMMZKZLMLQWLII-CMPLNLGQSA-N -1 0 397.353 2.744 50 0 GFAARM C[C@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000237483059 570372317 /nfs/dbraw/zinc/37/23/17/570372317.db2.gz RMMZKZLMLQWLII-JQWIXIFHSA-N -1 0 397.353 2.744 50 0 GFAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000024435627 570383596 /nfs/dbraw/zinc/38/35/96/570383596.db2.gz LOXQNPGNAVUBPY-OKILXGFUSA-N -1 0 392.452 2.876 50 0 GFAARM O=C([O-])CCN(C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C1CCOCC1 ZINC000238076768 570422688 /nfs/dbraw/zinc/42/26/88/570422688.db2.gz UAPAMFRIZOEDRE-UHFFFAOYSA-N -1 0 377.828 2.826 50 0 GFAARM O=S(=O)([N-]c1ccc(-c2ccc3nncn3n2)cc1)c1cc(F)ccc1F ZINC000005150784 570428488 /nfs/dbraw/zinc/42/84/88/570428488.db2.gz ATQZNQJQIURDIJ-UHFFFAOYSA-N -1 0 387.371 2.870 50 0 GFAARM CCc1ccc(NC(=O)[C@H](Cc2ccc(OC)c(OC)c2)c2nnn[n-]2)cc1 ZINC000005444924 570439744 /nfs/dbraw/zinc/43/97/44/570439744.db2.gz FFCCGJKUFZVBPE-MRXNPFEDSA-N -1 0 381.436 2.744 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2cccnc21 ZINC000028167354 570451352 /nfs/dbraw/zinc/45/13/52/570451352.db2.gz RUNODPMUXAFLLN-KRWDZBQOSA-N -1 0 395.440 2.690 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCOc3ccccc32)cc1OC ZINC000268936043 570477668 /nfs/dbraw/zinc/47/76/68/570477668.db2.gz HSVYPFNDLSKBNE-HZPDHXFCSA-N -1 0 385.416 2.902 50 0 GFAARM CC(C)S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000268937429 570478062 /nfs/dbraw/zinc/47/80/62/570478062.db2.gz HPSFBVMQKSECPG-SFHVURJKSA-N -1 0 387.457 2.520 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000268950734 570490476 /nfs/dbraw/zinc/49/04/76/570490476.db2.gz SQBGNDLRKANEHL-PJODQICGSA-N -1 0 391.855 2.728 50 0 GFAARM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1c(F)cccc1-n1cccn1 ZINC000078789953 570509673 /nfs/dbraw/zinc/50/96/73/570509673.db2.gz GCCMESPTJNMAQS-UHFFFAOYSA-N -1 0 393.371 2.958 50 0 GFAARM COc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1Br ZINC000032601647 570512146 /nfs/dbraw/zinc/51/21/46/570512146.db2.gz FTXKJERLQDBAIC-UHFFFAOYSA-N -1 0 386.223 2.957 50 0 GFAARM O=C([O-])c1ccc(NCc2cccnc2)c(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000016246996 570536439 /nfs/dbraw/zinc/53/64/39/570536439.db2.gz JNYJLYZTBDSDPA-IYBDPMFKSA-N -1 0 377.400 2.848 50 0 GFAARM CCn1nc(C)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1C(=O)OC ZINC000012369658 570647610 /nfs/dbraw/zinc/64/76/10/570647610.db2.gz OXICJWWIDGOWNA-UHFFFAOYSA-N -1 0 375.809 2.591 50 0 GFAARM Cn1c(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2[n-]c1=S ZINC000017296242 570703026 /nfs/dbraw/zinc/70/30/26/570703026.db2.gz AETPKOINSSXROR-UHFFFAOYSA-N -1 0 378.457 2.676 50 0 GFAARM CS(=O)(=O)c1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1Cl ZINC000013173296 570749801 /nfs/dbraw/zinc/74/98/01/570749801.db2.gz AZJUGIPRLPAATO-AWEZNQCLSA-N -1 0 381.837 2.689 50 0 GFAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000013340676 570753440 /nfs/dbraw/zinc/75/34/40/570753440.db2.gz RFHAZTRXLRIFHG-UHFFFAOYSA-N -1 0 396.852 2.676 50 0 GFAARM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1 ZINC000013360039 570754017 /nfs/dbraw/zinc/75/40/17/570754017.db2.gz OTTPTDZHIDWECQ-UHFFFAOYSA-N -1 0 390.461 2.599 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)N3CCc4ccccc4C3)cc2s1 ZINC000013728004 570782300 /nfs/dbraw/zinc/78/23/00/570782300.db2.gz UJKGKOZAEKJEAL-UHFFFAOYSA-N -1 0 387.486 2.866 50 0 GFAARM CCC(CC)(CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000170066858 570799772 /nfs/dbraw/zinc/79/97/72/570799772.db2.gz FJVIJUGSNNCVNH-GOEBONIOSA-N -1 0 380.872 2.867 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1C ZINC000101169344 570815177 /nfs/dbraw/zinc/81/51/77/570815177.db2.gz RCENVAMDHBFNCK-MOPGFXCFSA-N -1 0 391.431 2.544 50 0 GFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CCc4ccc(OC)cc4)c=3c2=O)cc1 ZINC000101418445 570822764 /nfs/dbraw/zinc/82/27/64/570822764.db2.gz DCCASTXPYFBYFK-RBUKOAKNSA-N -1 0 378.432 2.794 50 0 GFAARM O=C([O-])CCCc1nc2ccccc2c2nc(=O)c(-c3ccc(F)cc3)nn12 ZINC000089872965 570822896 /nfs/dbraw/zinc/82/28/96/570822896.db2.gz KHSJKBSUORHQLB-UHFFFAOYSA-N -1 0 378.363 2.851 50 0 GFAARM COc1ccccc1CNC(=O)CCc1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000014163133 570825739 /nfs/dbraw/zinc/82/57/39/570825739.db2.gz ZQMIQHSIDWTDKW-UHFFFAOYSA-N -1 0 383.423 2.871 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1 ZINC000101893822 570838395 /nfs/dbraw/zinc/83/83/95/570838395.db2.gz JBWYQKZEZIRFQB-SJORKVTESA-N -1 0 388.387 2.538 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccc(-c2nnco2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159101181 570904216 /nfs/dbraw/zinc/90/42/16/570904216.db2.gz HQRSASTTYSUHMY-HZPDHXFCSA-N -1 0 375.450 2.758 50 0 GFAARM COc1ccc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2)cc1 ZINC000016973590 570936112 /nfs/dbraw/zinc/93/61/12/570936112.db2.gz ZGDRNQKSMWKNHO-QCPHZMBFSA-N -1 0 392.415 2.607 50 0 GFAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](CCC)C(=O)[O-])ccc12 ZINC000002104194 570946302 /nfs/dbraw/zinc/94/63/02/570946302.db2.gz FUZDNNDXMUGHAC-MLGOLLRUSA-N -1 0 375.421 2.882 50 0 GFAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC000012737478 570979106 /nfs/dbraw/zinc/97/91/06/570979106.db2.gz IEXXVZHDWPRMBW-UHFFFAOYSA-N -1 0 390.461 2.802 50 0 GFAARM Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)[N-]c1cc(-c2ccncc2)[nH]n1 ZINC000084101476 570998409 /nfs/dbraw/zinc/99/84/09/570998409.db2.gz XHHICWUCMQTKHK-UHFFFAOYSA-N -1 0 397.460 2.708 50 0 GFAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1cc3c(cc1Cl)OCO3)C2 ZINC000095355897 571051917 /nfs/dbraw/zinc/05/19/17/571051917.db2.gz AHGSJWTWSFJREP-UHFFFAOYSA-N -1 0 377.828 2.688 50 0 GFAARM COc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3csc(C)n3)CC2)c(C)c1 ZINC000095359698 571054697 /nfs/dbraw/zinc/05/46/97/571054697.db2.gz HWDIUSBJIRWAAD-SFHVURJKSA-N -1 0 375.494 2.712 50 0 GFAARM Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)s1 ZINC000275275094 597053502 /nfs/dbraw/zinc/05/35/02/597053502.db2.gz KHLVBXXGKBVSOF-VIFPVBQESA-N -1 0 382.301 2.694 50 0 GFAARM O=C([O-])C[C@H]1CN(C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)CCO1 ZINC000584908404 602392129 /nfs/dbraw/zinc/39/21/29/602392129.db2.gz HOSRNZYYOXIVJT-OXBCTQFSSA-N -1 0 377.746 2.988 50 0 GFAARM COc1ccc(Br)cc1/C=C/C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000328595658 655386911 /nfs/dbraw/zinc/38/69/11/655386911.db2.gz ZWHHLQJIJSQNNK-GORDUTHDSA-N -1 0 398.253 2.563 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000001157775 203891477 /nfs/dbraw/zinc/89/14/77/203891477.db2.gz MGTZUNNJUMUQQD-UHFFFAOYSA-N -1 0 398.440 2.682 50 0 GFAARM CCn1cc(S(=O)(=O)[N-]c2ccn(Cc3c(F)cccc3Cl)n2)cn1 ZINC000002804594 203964416 /nfs/dbraw/zinc/96/44/16/203964416.db2.gz CXMLMOUFWBDNNH-UHFFFAOYSA-N -1 0 383.836 2.741 50 0 GFAARM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000004270558 204036096 /nfs/dbraw/zinc/03/60/96/204036096.db2.gz AGHKXFQVJVXMLV-UHFFFAOYSA-N -1 0 376.434 2.908 50 0 GFAARM COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C1=O ZINC000004739746 204071677 /nfs/dbraw/zinc/07/16/77/204071677.db2.gz JFWAVIAXKPMKTM-ZSOIEALJSA-N -1 0 387.369 2.854 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000004862899 204083067 /nfs/dbraw/zinc/08/30/67/204083067.db2.gz HSVKCNAZNOMLDI-RDJZCZTQSA-N -1 0 397.818 2.637 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000004484066 204047011 /nfs/dbraw/zinc/04/70/11/204047011.db2.gz YTNTXHKIGHUMTN-MOPGFXCFSA-N -1 0 391.431 2.544 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)C[C@@H]2CC=CCC2)cc1 ZINC000004570429 204054172 /nfs/dbraw/zinc/05/41/72/204054172.db2.gz QSAIKWFLQNXUQZ-WBVHZDCISA-N -1 0 379.478 2.911 50 0 GFAARM O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000004654004 204059921 /nfs/dbraw/zinc/05/99/21/204059921.db2.gz ZMXUOCDIQZRGHI-ZDUSSCGKSA-N -1 0 398.278 2.986 50 0 GFAARM CCn1cc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c(C(=O)NCC(C)C)n1 ZINC000005962263 204160065 /nfs/dbraw/zinc/16/00/65/204160065.db2.gz AYLKFRZVXMXFIJ-GJZGRUSLSA-N -1 0 390.484 2.675 50 0 GFAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1nc(-c2ccccc2)oc1C ZINC000005538094 204138951 /nfs/dbraw/zinc/13/89/51/204138951.db2.gz SMHKIMKMWGYHLR-UHFFFAOYSA-N -1 0 394.383 2.772 50 0 GFAARM CC1=Nc2nnnn2[C@H](c2ccc(C(=O)[O-])cc2)C1C(=O)OC1CCCCC1 ZINC000005640951 204145105 /nfs/dbraw/zinc/14/51/05/204145105.db2.gz BOBUDTIDDSVJRQ-MRXNPFEDSA-N -1 0 383.408 2.536 50 0 GFAARM COc1cc(S(=O)(=O)[N-]c2cccc(C)n2)c(OC)cc1Br ZINC000006706980 204192465 /nfs/dbraw/zinc/19/24/65/204192465.db2.gz XGHUIDLZPRRPQE-UHFFFAOYSA-N -1 0 387.255 2.971 50 0 GFAARM COC(=O)c1cc(Br)ccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008746196 204287080 /nfs/dbraw/zinc/28/70/80/204287080.db2.gz WDEQEFKZFFXDOM-QWRGUYRKSA-N -1 0 382.210 2.841 50 0 GFAARM CCCCn1nc(C(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc2c1=O ZINC000008429570 204276421 /nfs/dbraw/zinc/27/64/21/204276421.db2.gz ZQUQWIVQAXRBLZ-UHFFFAOYSA-N -1 0 379.416 2.825 50 0 GFAARM COc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCC2)c1 ZINC000009684649 204319882 /nfs/dbraw/zinc/31/98/82/204319882.db2.gz MBRFNNIGTOUQJP-UHFFFAOYSA-N -1 0 391.493 2.687 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(N3CCOC3=O)c2)c1C ZINC000031719984 204904305 /nfs/dbraw/zinc/90/43/05/204904305.db2.gz ODWFPVKNVIEDNW-UHFFFAOYSA-N -1 0 390.417 2.759 50 0 GFAARM Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(c3ccccc3)CC2)c1C(=O)[O-] ZINC000036360300 205014764 /nfs/dbraw/zinc/01/47/64/205014764.db2.gz JJWYJNZMOAMZHJ-FQEVSTJZSA-N -1 0 393.443 2.824 50 0 GFAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1ccc3c(c1)CCO3)CC2 ZINC000299744756 205098642 /nfs/dbraw/zinc/09/86/42/205098642.db2.gz PRXUZQQUIPTRKT-QGZVFWFLSA-N -1 0 397.427 2.853 50 0 GFAARM CCOc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1OCC(=O)[O-] ZINC000299751853 205105849 /nfs/dbraw/zinc/10/58/49/205105849.db2.gz RZIHAEMPLDTACZ-GFCCVEGCSA-N -1 0 375.343 2.963 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000299752934 205107029 /nfs/dbraw/zinc/10/70/29/205107029.db2.gz WAUGDAWTEPVNME-VXGBXAGGSA-N -1 0 381.215 2.863 50 0 GFAARM COc1ccc(CNC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)cc1C(=O)[O-] ZINC000299748505 205099555 /nfs/dbraw/zinc/09/95/55/205099555.db2.gz HGRWHCWBUVMLBZ-LJQANCHMSA-N -1 0 396.443 2.546 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)cc2c1OCCO2 ZINC000057118599 205154232 /nfs/dbraw/zinc/15/42/32/205154232.db2.gz GSZPRGCRTGCOOQ-UHFFFAOYSA-N -1 0 387.772 2.749 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 ZINC000065119383 205211344 /nfs/dbraw/zinc/21/13/44/205211344.db2.gz NPIQENBPBTYSJM-UHFFFAOYSA-N -1 0 397.865 2.961 50 0 GFAARM Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N(C)C[C@@H]1COCCO1 ZINC000064820493 205196615 /nfs/dbraw/zinc/19/66/15/205196615.db2.gz BIIYEUZYPATWPY-MRXNPFEDSA-N -1 0 384.432 2.797 50 0 GFAARM CCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc21 ZINC000064861508 205197637 /nfs/dbraw/zinc/19/76/37/205197637.db2.gz UMLFNPAEQPUYSL-UHFFFAOYSA-N -1 0 375.450 2.588 50 0 GFAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2C1 ZINC000065196147 205217295 /nfs/dbraw/zinc/21/72/95/205217295.db2.gz XIWYCWZFHGSJCK-UHFFFAOYSA-N -1 0 380.491 2.852 50 0 GFAARM CN(CCCC(=O)[O-])C(=O)C[C@@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071761322 205293221 /nfs/dbraw/zinc/29/32/21/205293221.db2.gz QYTYQQPDUDJTCV-QHCPKHFHSA-N -1 0 394.471 2.857 50 0 GFAARM COc1ccc(-n2ccnc2CN2CCCn3nc(CCC(=O)[O-])cc3C2)cc1 ZINC000072428657 205349840 /nfs/dbraw/zinc/34/98/40/205349840.db2.gz ADNFADLXFLRFKO-UHFFFAOYSA-N -1 0 395.463 2.501 50 0 GFAARM Nc1nc2c(c(C(=O)N3CCC[C@@H](c4cccc(C(=O)[O-])c4)C3)n1)CCCC2 ZINC000095370331 205447143 /nfs/dbraw/zinc/44/71/43/205447143.db2.gz NNGHVYNMQRADCH-OAHLLOKOSA-N -1 0 380.448 2.656 50 0 GFAARM COc1cc(C(=O)N2CCC(C(=O)[O-])CC2)ccc1OCc1cscn1 ZINC000095969449 205511895 /nfs/dbraw/zinc/51/18/95/205511895.db2.gz GOYUFKVTDMHKSE-UHFFFAOYSA-N -1 0 376.434 2.668 50 0 GFAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1nc(N2CCCC2)ncc1Cl ZINC000237670723 205684615 /nfs/dbraw/zinc/68/46/15/205684615.db2.gz YDWKPRCRIFPMBU-HNNXBMFYSA-N -1 0 388.855 2.984 50 0 GFAARM COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c([O-])nc2ccccn2c1=O ZINC000096115575 206118206 /nfs/dbraw/zinc/11/82/06/206118206.db2.gz NIILBBJNILQPEV-MRXNPFEDSA-N -1 0 382.416 2.882 50 0 GFAARM CCOc1cc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c(OCC)cc1C ZINC000239760984 206126647 /nfs/dbraw/zinc/12/66/47/206126647.db2.gz CJANISWNVKBHKC-UHFFFAOYSA-N -1 0 378.450 2.692 50 0 GFAARM O=C(COc1ccc2ccccc2c1)N1C=C([O-])c2ccccc2S1(=O)=O ZINC000005274919 206216409 /nfs/dbraw/zinc/21/64/09/206216409.db2.gz JGYQMGHFWATRKX-UHFFFAOYSA-N -1 0 381.409 2.632 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccco1 ZINC000007505219 221000021 /nfs/dbraw/zinc/00/00/21/221000021.db2.gz PHURDTHZNPLFHD-UHFFFAOYSA-N -1 0 375.406 2.615 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCN1C(=O)CCc2cc(F)ccc21 ZINC000299752181 132427145 /nfs/dbraw/zinc/42/71/45/132427145.db2.gz STJPBPLQGOJGLM-IBGZPJMESA-N -1 0 396.418 2.533 50 0 GFAARM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N1CCN(c2ncccc2C)CC1 ZINC000095385907 136178808 /nfs/dbraw/zinc/17/88/08/136178808.db2.gz DXICOGWTCJVURY-KRWDZBQOSA-N -1 0 375.856 3.000 50 0 GFAARM Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)/C=C/C(=O)[O-])CC1 ZINC000000628420 136192853 /nfs/dbraw/zinc/19/28/53/136192853.db2.gz ZXHIAIJVXHONLE-ZHACJKMWSA-N -1 0 393.443 2.537 50 0 GFAARM Cc1ccc2nc(COc3cccc(C(=O)N4CC[C@@H](C(=O)[O-])C4)c3)cn2c1 ZINC000178268374 534505895 /nfs/dbraw/zinc/50/58/95/534505895.db2.gz BRKZRXBKAVEZPY-MRXNPFEDSA-N -1 0 379.416 2.768 50 0 GFAARM Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](c2ccnn2CC(=O)[O-])C1 ZINC000426441759 534596505 /nfs/dbraw/zinc/59/65/05/534596505.db2.gz LBNDIDKVPBXMOK-INIZCTEOSA-N -1 0 394.431 2.951 50 0 GFAARM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000000944061 551091817 /nfs/dbraw/zinc/09/18/17/551091817.db2.gz UMFNHXMDTFOYNW-AWEZNQCLSA-N -1 0 384.251 2.943 50 0 GFAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000011615539 551107281 /nfs/dbraw/zinc/10/72/81/551107281.db2.gz OCTNSRWJADELBZ-UHFFFAOYSA-N -1 0 378.431 2.877 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000028779349 551124302 /nfs/dbraw/zinc/12/43/02/551124302.db2.gz RAEGXKQGSQFLBO-UHFFFAOYSA-N -1 0 377.346 2.657 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)c(Br)o1 ZINC000230235458 553065080 /nfs/dbraw/zinc/06/50/80/553065080.db2.gz KSUZZVWBRITFSP-RKDXNWHRSA-N -1 0 378.244 2.694 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCc3ccccc32)c(Br)o1 ZINC000238205132 553086776 /nfs/dbraw/zinc/08/67/76/553086776.db2.gz DMPJAGZAQAKVNK-JTQLQIEISA-N -1 0 386.223 2.706 50 0 GFAARM CCOC[C@@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CCO1 ZINC000529056932 564816535 /nfs/dbraw/zinc/81/65/35/564816535.db2.gz BQOXOJSFKCIXTO-NSHDSACASA-N -1 0 382.873 2.550 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCO1 ZINC000669494016 565689986 /nfs/dbraw/zinc/68/99/86/565689986.db2.gz BISVLYLADSXLDM-CYBMUJFWSA-N -1 0 381.841 2.705 50 0 GFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000794196 570223499 /nfs/dbraw/zinc/22/34/99/570223499.db2.gz WKLJTSBXAWSUKP-SJORKVTESA-N -1 0 394.493 2.691 50 0 GFAARM O=C([O-])CCC(=O)N1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000001048485 570238594 /nfs/dbraw/zinc/23/85/94/570238594.db2.gz UCBBKNSSUYMXSZ-UHFFFAOYSA-N -1 0 396.472 2.872 50 0 GFAARM COc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc2c1OCCO2 ZINC000013257752 570240917 /nfs/dbraw/zinc/24/09/17/570240917.db2.gz MIVPUKFUPLFFFO-CQSZACIVSA-N -1 0 375.352 2.551 50 0 GFAARM COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000012825510 570262107 /nfs/dbraw/zinc/26/21/07/570262107.db2.gz YEDNAFJJRJCAAC-UHFFFAOYSA-N -1 0 375.446 2.854 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1 ZINC000100033247 570265499 /nfs/dbraw/zinc/26/54/99/570265499.db2.gz BUARZOXKKCIUSY-RTBURBONSA-N -1 0 391.431 2.544 50 0 GFAARM C[C@H](CC(=O)NCc1cccs1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000015826819 570267803 /nfs/dbraw/zinc/26/78/03/570267803.db2.gz SBDOGNFBNKWTHK-LBPRGKRZSA-N -1 0 377.491 2.803 50 0 GFAARM CCCCn1c(=O)c(C2=NN[C@H](c3ccc(OC)c(O)c3)C2)c([O-])[nH]c1=S ZINC000015834792 570271056 /nfs/dbraw/zinc/27/10/56/570271056.db2.gz NPERKFKIVASEHE-NSHDSACASA-N -1 0 390.465 2.564 50 0 GFAARM COc1ccc(CNc2nc3nc(-c4ccccc4)cc(=O)n3[n-]2)cc1OC ZINC000018178261 570281763 /nfs/dbraw/zinc/28/17/63/570281763.db2.gz SHCIDPYJQUEIER-UHFFFAOYSA-N -1 0 377.404 2.714 50 0 GFAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)NCc3ccncc3)c(=O)[n-]2)c1 ZINC000034764430 570333136 /nfs/dbraw/zinc/33/31/36/570333136.db2.gz BUYHOWVXOQGBNI-UHFFFAOYSA-N -1 0 393.447 2.675 50 0 GFAARM Cc1c2ccccc2[nH]c1CN(C)C(=O)CC[C@@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000218924847 570343932 /nfs/dbraw/zinc/34/39/32/570343932.db2.gz FEPKWYFXKZLJME-OAQYLSRUSA-N -1 0 385.464 2.729 50 0 GFAARM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000190943850 570375861 /nfs/dbraw/zinc/37/58/61/570375861.db2.gz GXEQXSBDMIJKPT-ZDUSSCGKSA-N -1 0 380.404 2.764 50 0 GFAARM CCc1ccc(NC(=O)[C@@H](Cc2ccc(OC)c(OC)c2)c2nnn[n-]2)cc1 ZINC000005444918 570440013 /nfs/dbraw/zinc/44/00/13/570440013.db2.gz FFCCGJKUFZVBPE-INIZCTEOSA-N -1 0 381.436 2.744 50 0 GFAARM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(Cl)cc2F)C1=O ZINC000028019195 570449958 /nfs/dbraw/zinc/44/99/58/570449958.db2.gz UYBDOWVFJHNQDD-GOSISDBHSA-N -1 0 375.787 2.981 50 0 GFAARM COc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1OCc1cscn1 ZINC000268892854 570451113 /nfs/dbraw/zinc/45/11/13/570451113.db2.gz ASIXWCVSZPOFRL-CYBMUJFWSA-N -1 0 376.434 2.668 50 0 GFAARM C[C@H]1Oc2ccccc2N(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)C1=O ZINC000268899935 570451463 /nfs/dbraw/zinc/45/14/63/570451463.db2.gz SGOIQINCQRITGG-GDBMZVCRSA-N -1 0 382.416 2.523 50 0 GFAARM Cc1c(S(=O)(=O)[N-]c2cnn(Cc3cccc(C(F)(F)F)c3)c2)cnn1C ZINC000002792732 570518192 /nfs/dbraw/zinc/51/81/92/570518192.db2.gz MZCAZHMGASCPBH-UHFFFAOYSA-N -1 0 399.398 2.793 50 0 GFAARM CC(C)CCNC(=O)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974440 570524487 /nfs/dbraw/zinc/52/44/87/570524487.db2.gz WKMIYQXADBPXHP-UHFFFAOYSA-N -1 0 377.466 2.730 50 0 GFAARM O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2nccs2)C3=O)c1 ZINC000003202596 570539555 /nfs/dbraw/zinc/53/95/55/570539555.db2.gz IHSDWXOWBZYKST-UHFFFAOYSA-N -1 0 393.380 2.894 50 0 GFAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccc4c(c3)OCO4)n2)cc1 ZINC000005073715 570541185 /nfs/dbraw/zinc/54/11/85/570541185.db2.gz IMOHLZZIJCEHFM-ORCRQEGFSA-N -1 0 396.428 2.759 50 0 GFAARM Cc1ccc(C)c(N2CCN(C(=O)CN(CC(=O)[O-])c3ccccc3)CC2)c1 ZINC000034926589 570548231 /nfs/dbraw/zinc/54/82/31/570548231.db2.gz HNGBPMPULFXPML-UHFFFAOYSA-N -1 0 381.476 2.543 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2c(C)noc2C)cc2sc(NC(C)=O)nc21 ZINC000033007955 570620770 /nfs/dbraw/zinc/62/07/70/570620770.db2.gz HVSSKYZACDVPLD-UHFFFAOYSA-N -1 0 396.450 2.669 50 0 GFAARM CCOC(=O)c1nnsc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015862933 570685375 /nfs/dbraw/zinc/68/53/75/570685375.db2.gz LKXZJXURBDKZFT-UHFFFAOYSA-N -1 0 395.872 2.722 50 0 GFAARM CCCCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000036413000 570696604 /nfs/dbraw/zinc/69/66/04/570696604.db2.gz GVCMCHHZDJLEDC-DLBZAZTESA-N -1 0 394.493 2.713 50 0 GFAARM COc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc([N-]S(C)(=O)=O)nn32)cc1 ZINC000013121975 570747311 /nfs/dbraw/zinc/74/73/11/570747311.db2.gz OHVDRDXOXGFHNM-IRXDYDNUSA-N -1 0 399.476 2.805 50 0 GFAARM COc1ccccc1CCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000013184139 570750199 /nfs/dbraw/zinc/75/01/99/570750199.db2.gz BSEFLYIRBWFUEZ-INIZCTEOSA-N -1 0 387.432 2.977 50 0 GFAARM Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000013655363 570767171 /nfs/dbraw/zinc/76/71/71/570767171.db2.gz GNUQSESYDKKBOG-OAHLLOKOSA-N -1 0 377.404 2.760 50 0 GFAARM [O-]c1c([C@H](c2ccco2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022031010 570778594 /nfs/dbraw/zinc/77/85/94/570778594.db2.gz GTQGVPSIDKMWQW-KRWDZBQOSA-N -1 0 395.488 2.997 50 0 GFAARM CCC(CC)(CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000170066863 570799716 /nfs/dbraw/zinc/79/97/16/570799716.db2.gz FJVIJUGSNNCVNH-HOCLYGCPSA-N -1 0 380.872 2.867 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4c(F)cccc4Cl)c=3c2=O)cc1 ZINC000101167080 570814830 /nfs/dbraw/zinc/81/48/30/570814830.db2.gz YCDYCTSTZLKMNI-HOTGVXAUSA-N -1 0 388.786 2.981 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(F)cc4Cl)c=3c2=O)cc1 ZINC000101167067 570815020 /nfs/dbraw/zinc/81/50/20/570815020.db2.gz PRSJIFVAKDZPGC-HOTGVXAUSA-N -1 0 388.786 2.981 50 0 GFAARM O=C(NCc1ccco1)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101722949 570830386 /nfs/dbraw/zinc/83/03/86/570830386.db2.gz AMKSDXXXNLUZHT-UHFFFAOYSA-N -1 0 379.347 2.753 50 0 GFAARM O=C(Nc1ccccc1SCc1cc(=O)n2nc[n-]c2n1)c1ccccc1 ZINC000102621463 570854383 /nfs/dbraw/zinc/85/43/83/570854383.db2.gz UKUCQWUYQMJKOV-UHFFFAOYSA-N -1 0 377.429 2.962 50 0 GFAARM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@@H](C)N3CCCCC3=O)n2)cc1 ZINC000170606193 570863833 /nfs/dbraw/zinc/86/38/33/570863833.db2.gz OOJKEKIPVXTIEC-OAHLLOKOSA-N -1 0 384.480 2.832 50 0 GFAARM O=C(N[C@H](Cc1ccccc1)C(=O)[N-]OC[C@H]1CCOC1)OCc1ccccc1 ZINC000170607697 570864706 /nfs/dbraw/zinc/86/47/06/570864706.db2.gz NEGGOQDKIWGWFP-VQTJNVASSA-N -1 0 398.459 2.608 50 0 GFAARM Cc1c(C(=O)N(CCC(=O)[O-])C2CCOCC2)cnn1-c1ccccc1Cl ZINC000237730213 570944829 /nfs/dbraw/zinc/94/48/29/570944829.db2.gz CTVSAWXBUNONIQ-UHFFFAOYSA-N -1 0 391.855 2.930 50 0 GFAARM Cc1cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000002140226 570969426 /nfs/dbraw/zinc/96/94/26/570969426.db2.gz SKLQXKRCRNCBBG-SGTLLEGYSA-N -1 0 387.432 2.583 50 0 GFAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000002157486 570973826 /nfs/dbraw/zinc/97/38/26/570973826.db2.gz VGTIGKWWIQGPNY-QWHCGFSZSA-N -1 0 375.421 2.801 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)CCO1 ZINC000178279944 570974817 /nfs/dbraw/zinc/97/48/17/570974817.db2.gz RZJPYJQNPCVHPT-IBGZPJMESA-N -1 0 380.375 2.967 50 0 GFAARM Cn1c(=O)c(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cc2c1CCCC2 ZINC000095367565 571059306 /nfs/dbraw/zinc/05/93/06/571059306.db2.gz QWQMWHBRNJMXKI-GOSISDBHSA-N -1 0 394.471 2.982 50 0 GFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3nc4ccccc4[nH]c3=O)C2)c1 ZINC000095368274 571059326 /nfs/dbraw/zinc/05/93/26/571059326.db2.gz JOCVHGSPKOMGMN-HNNXBMFYSA-N -1 0 377.400 2.641 50 0 GFAARM COc1ccc([C@@H]2CN(C(=O)c3ccc([O-])c(Cl)c3)C[C@H]2NC(C)=O)cc1 ZINC000095530350 571092887 /nfs/dbraw/zinc/09/28/87/571092887.db2.gz YCCPTYFIXPCXBV-FUHWJXTLSA-N -1 0 388.851 2.799 50 0 GFAARM COc1ccc(CC(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)cc1OC ZINC000095424835 600873546 /nfs/dbraw/zinc/87/35/46/600873546.db2.gz ZYKJUZIKLBYZDM-UHFFFAOYSA-N -1 0 375.377 2.600 50 0 GFAARM CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000095427681 602071042 /nfs/dbraw/zinc/07/10/42/602071042.db2.gz QVIARYLLKPLANJ-ZDUSSCGKSA-N -1 0 390.461 2.643 50 0 GFAARM Cc1cnn(-c2ccc(C(N)=O)cc2[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000095460454 655029348 /nfs/dbraw/zinc/02/93/48/655029348.db2.gz JXMNRTIKGXGYIO-UHFFFAOYSA-N -1 0 396.881 2.795 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)s1 ZINC000098054831 655039018 /nfs/dbraw/zinc/03/90/18/655039018.db2.gz BLOUVFZZPHPNLC-ARJAWSKDSA-N -1 0 385.850 2.957 50 0 GFAARM CO[C@H](CS(=O)(=O)[N-]c1nc(-c2ncccc2Cl)ns1)C(C)C ZINC000888097056 663178095 /nfs/dbraw/zinc/17/80/95/663178095.db2.gz XCECHOUGTZJPFX-SNVBAGLBSA-N -1 0 376.891 2.666 50 0 GFAARM CCCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002093210 203928060 /nfs/dbraw/zinc/92/80/60/203928060.db2.gz HEEQHJUOIHMCMN-HNNXBMFYSA-N -1 0 375.421 2.857 50 0 GFAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1Cl)CC[C@H](C)C3 ZINC000002778285 203961687 /nfs/dbraw/zinc/96/16/87/203961687.db2.gz SNDLMOZPKWOGTR-QMMMGPOBSA-N -1 0 391.884 2.662 50 0 GFAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccn(Cc2c(F)cccc2Cl)n1 ZINC000002804977 203964139 /nfs/dbraw/zinc/96/41/39/203964139.db2.gz KDUQULGPLRAFRV-UHFFFAOYSA-N -1 0 383.836 2.567 50 0 GFAARM CCOC(=O)c1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000002800796 203964804 /nfs/dbraw/zinc/96/48/04/203964804.db2.gz OYLVGIGKUABSTN-JKSUJKDBSA-N -1 0 391.420 2.870 50 0 GFAARM CCn1ncc(S(=O)(=O)[N-]c2ccn(Cc3ccc(Cl)cc3)n2)c1C ZINC000002804942 203964965 /nfs/dbraw/zinc/96/49/65/203964965.db2.gz AVMUDHLCGQPGGH-UHFFFAOYSA-N -1 0 379.873 2.910 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000003252544 203992949 /nfs/dbraw/zinc/99/29/49/203992949.db2.gz FXETVTWUADLWHG-UHFFFAOYSA-N -1 0 380.853 2.549 50 0 GFAARM Nc1c(C(=O)NCC(=O)[O-])sc2nc3c(c(C(F)(F)F)c12)CCCCC3 ZINC000004395164 204042931 /nfs/dbraw/zinc/04/29/31/204042931.db2.gz QQYGWDOGYROUTG-UHFFFAOYSA-N -1 0 387.383 2.981 50 0 GFAARM O=C([O-])CSc1nnc(NC(=O)c2cccc(OC(F)(F)F)c2)s1 ZINC000004107172 204027313 /nfs/dbraw/zinc/02/73/13/204027313.db2.gz RAIBXQFEDDRDPH-UHFFFAOYSA-N -1 0 379.341 2.866 50 0 in-vivo GFAARM COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Br ZINC000004660792 204061062 /nfs/dbraw/zinc/06/10/62/204061062.db2.gz LDNMNIRTCCNIKN-UHFFFAOYSA-N -1 0 386.223 2.957 50 0 GFAARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=C(C)NCc2ccc(F)cc2)C1=O ZINC000005799700 204151539 /nfs/dbraw/zinc/15/15/39/204151539.db2.gz YURNWUGMGQSADZ-QGOAFFKASA-N -1 0 397.406 2.871 50 0 GFAARM O=C(Cn1cc(/C=C2/NC(=O)[N-]C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000005673375 204146376 /nfs/dbraw/zinc/14/63/76/204146376.db2.gz OUCAUMUDCAFPPU-CXUHLZMHSA-N -1 0 378.363 2.599 50 0 GFAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000006267580 204173055 /nfs/dbraw/zinc/17/30/55/204173055.db2.gz RETCORIYJODLOK-UHFFFAOYSA-N -1 0 380.491 2.586 50 0 GFAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NC[C@@H](O)c1ccccc1 ZINC000006659704 204189592 /nfs/dbraw/zinc/18/95/92/204189592.db2.gz BTBJQZHEDRXHSA-QGZVFWFLSA-N -1 0 387.819 2.853 50 0 GFAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000007726577 204247194 /nfs/dbraw/zinc/24/71/94/204247194.db2.gz ZEIWEHWEJSUTRA-UHFFFAOYSA-N -1 0 385.344 2.826 50 0 GFAARM CSCC[C@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)C(=O)[O-] ZINC000009053271 204297075 /nfs/dbraw/zinc/29/70/75/204297075.db2.gz NNEYZVAPYAPTBP-AWEZNQCLSA-N -1 0 377.466 2.923 50 0 GFAARM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000009319671 204307095 /nfs/dbraw/zinc/30/70/95/204307095.db2.gz PSEHYIONJFWKSV-UHFFFAOYSA-N -1 0 383.355 2.697 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000011866802 204359377 /nfs/dbraw/zinc/35/93/77/204359377.db2.gz MIKWOQPDLWFLKK-QGHHPUGFSA-N -1 0 375.421 2.713 50 0 GFAARM CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(C)c2)CC1 ZINC000021882306 204768295 /nfs/dbraw/zinc/76/82/95/204768295.db2.gz XOHTZTOVNFSWSU-UHFFFAOYSA-N -1 0 381.432 2.614 50 0 GFAARM C[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000027551408 204858369 /nfs/dbraw/zinc/85/83/69/204858369.db2.gz IXADQRYVRNTXGU-VLURKWGBSA-N -1 0 384.432 2.937 50 0 GFAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ccccc3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036360433 205014628 /nfs/dbraw/zinc/01/46/28/205014628.db2.gz DFEVJGJBDOKMGK-HXUWFJFHSA-N -1 0 393.443 2.824 50 0 GFAARM O=C(NCCc1cccs1)c1cnc([O-])n(Cc2ccccc2Cl)c1=O ZINC000077099325 205032863 /nfs/dbraw/zinc/03/28/63/205032863.db2.gz AKNJQXBGCIDDCV-UHFFFAOYSA-N -1 0 389.864 2.685 50 0 GFAARM CN1C(=O)CC[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000299740589 205092053 /nfs/dbraw/zinc/09/20/53/205092053.db2.gz AHOJJRLGFLGDCZ-IVMMDQJWSA-N -1 0 398.381 2.548 50 0 GFAARM Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCOC[C@@H]4C(=O)[O-])cc3)o2)cc1 ZINC000299753878 205107095 /nfs/dbraw/zinc/10/70/95/205107095.db2.gz ZPYDCBMBXQEVOP-QGZVFWFLSA-N -1 0 393.399 2.638 50 0 GFAARM CN(C)C(=O)Cn1ccc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000050533375 205132476 /nfs/dbraw/zinc/13/24/76/205132476.db2.gz HZHJFINCFPYXKC-UHFFFAOYSA-N -1 0 393.415 2.809 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)c(C)c1 ZINC000065128896 205211682 /nfs/dbraw/zinc/21/16/82/205211682.db2.gz FLJNIDKLOKBLHD-UHFFFAOYSA-N -1 0 375.475 2.926 50 0 GFAARM O=C([O-])C1(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCCC1 ZINC000064611644 205191395 /nfs/dbraw/zinc/19/13/95/205191395.db2.gz KFCLEBITPDXLBX-UHFFFAOYSA-N -1 0 376.478 2.849 50 0 GFAARM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067673145 205252194 /nfs/dbraw/zinc/25/21/94/205252194.db2.gz DBDFHEFLMGVWNT-CQSZACIVSA-N -1 0 381.436 2.627 50 0 GFAARM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)CSC13CC4CC(CC(C4)C1)C3)C2 ZINC000067726675 205256060 /nfs/dbraw/zinc/25/60/60/205256060.db2.gz NUPWIPSAYJJLGO-UHFFFAOYSA-N -1 0 389.521 2.705 50 0 GFAARM Cc1n[nH]c(C)c1Cc1nnc(SCC(=O)[O-])n1-c1ccc(F)cc1F ZINC000067805612 205260424 /nfs/dbraw/zinc/26/04/24/205260424.db2.gz QFZIUZZYBGBJLF-UHFFFAOYSA-N -1 0 379.392 2.653 50 0 GFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000071285444 205280823 /nfs/dbraw/zinc/28/08/23/205280823.db2.gz NDZPIEBSUCWQQH-IAGOWNOFSA-N -1 0 379.416 2.580 50 0 GFAARM CC[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2C1 ZINC000077322916 205359237 /nfs/dbraw/zinc/35/92/37/205359237.db2.gz INMKRZVLAMQWAF-GFCCVEGCSA-N -1 0 377.466 2.715 50 0 GFAARM O=C([O-])c1cccc(NC(=O)[C@H]2CC(=O)Nc3nnc(-c4cccs4)n32)c1 ZINC000072405610 205345171 /nfs/dbraw/zinc/34/51/71/205345171.db2.gz UPJAIQOLMMZTJH-LLVKDONJSA-N -1 0 383.389 2.876 50 0 GFAARM Cc1cccc(N2C[C@@H](Nc3nccc(-c4cc(C(=O)[O-])ccn4)n3)CC2=O)c1 ZINC000072412155 205347438 /nfs/dbraw/zinc/34/74/38/205347438.db2.gz JTVJJUCOFXULAM-HNNXBMFYSA-N -1 0 389.415 2.763 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4c(C)cccc4C)c(=O)c2=3)cc1 ZINC000102001658 205629548 /nfs/dbraw/zinc/62/95/48/205629548.db2.gz SPEMQPCIQJLGQZ-MJGOQNOKSA-N -1 0 391.431 2.544 50 0 GFAARM Cc1c(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cnn1-c1cccc(Cl)c1 ZINC000237731334 205684157 /nfs/dbraw/zinc/68/41/57/205684157.db2.gz ABSOSVORBVMJAU-MRXNPFEDSA-N -1 0 391.855 2.930 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000238027403 205687457 /nfs/dbraw/zinc/68/74/57/205687457.db2.gz JFZLRGIZSAYXNZ-HXUWFJFHSA-N -1 0 375.428 2.843 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000238028334 205687619 /nfs/dbraw/zinc/68/76/19/205687619.db2.gz MTFGNFOWZDAMCY-OAHLLOKOSA-N -1 0 383.429 2.769 50 0 GFAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000218288078 205948058 /nfs/dbraw/zinc/94/80/58/205948058.db2.gz RABJTDWCRGLIBA-CQSZACIVSA-N -1 0 389.335 2.781 50 0 GFAARM CN(C)c1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(Br)c2)cn1 ZINC000225400469 206045366 /nfs/dbraw/zinc/04/53/66/206045366.db2.gz VJSOFVOYAZYMJY-UHFFFAOYSA-N -1 0 391.678 2.759 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)c(C)c1 ZINC000064976637 206105835 /nfs/dbraw/zinc/10/58/35/206105835.db2.gz RZHWSCGIYUKUIM-UHFFFAOYSA-N -1 0 379.869 2.948 50 0 GFAARM CCCCOc1ccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2N(C)C)cc1 ZINC000096098780 206114383 /nfs/dbraw/zinc/11/43/83/206114383.db2.gz MCZLEHUMXGWAJZ-UHFFFAOYSA-N -1 0 393.513 2.588 50 0 GFAARM COc1ccccc1[C@@H]1CCCN1CC(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC000299784828 206189779 /nfs/dbraw/zinc/18/97/79/206189779.db2.gz MYOHYDNQHLLTHB-ZDUSSCGKSA-N -1 0 375.450 2.934 50 0 GFAARM O=C([O-])c1c(F)cc(I)cc1I ZINC000096171739 206222963 /nfs/dbraw/zinc/22/29/63/206222963.db2.gz CSEMASFUYROSBB-UHFFFAOYSA-N -1 0 391.905 2.733 50 0 GFAARM C[C@H](C(=O)[O-])n1nc(Br)c(Br)c1Br ZINC000059949822 206213893 /nfs/dbraw/zinc/21/38/93/206213893.db2.gz RXLYXRLZUBANRU-UWTATZPHSA-N -1 0 376.830 2.816 50 0 GFAARM Cc1ccccc1N1CCN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)CC1 ZINC000071661294 136165702 /nfs/dbraw/zinc/16/57/02/136165702.db2.gz AQKPTMVMALDTGU-UHFFFAOYSA-N -1 0 375.432 2.872 50 0 GFAARM Nc1nccc(N2CCC(Cc3ccccc3C(F)(F)F)(C(=O)[O-])CC2)n1 ZINC000071730639 136166051 /nfs/dbraw/zinc/16/60/51/136166051.db2.gz QEELUBGFOVJDQI-UHFFFAOYSA-N -1 0 380.370 2.992 50 0 GFAARM CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc(F)cc3C(=O)[O-])cc21 ZINC000097212554 136188356 /nfs/dbraw/zinc/18/83/56/136188356.db2.gz VXLXYJCZYANMBW-UHFFFAOYSA-N -1 0 392.408 2.624 50 0 GFAARM CC(C)n1c2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2nc1C(F)(F)F ZINC000268986352 519925550 /nfs/dbraw/zinc/92/55/50/519925550.db2.gz PZZKQFMZANKBLF-ZDUSSCGKSA-N -1 0 385.342 2.562 50 0 GFAARM NC(=O)N[C@H](CC(=O)N1CCC[C@H]1C(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000262718143 526944032 /nfs/dbraw/zinc/94/40/32/526944032.db2.gz TVPOQCDASVAQIS-MSOLQXFVSA-N -1 0 397.431 2.654 50 0 GFAARM CCCn1ncnc1[C@H](C)NC(=O)c1cccc(-c2ccc(C(=O)[O-])cn2)c1 ZINC000426641493 528902726 /nfs/dbraw/zinc/90/27/26/528902726.db2.gz JCBWZBVEJRYLHW-ZDUSSCGKSA-N -1 0 379.420 2.939 50 0 GFAARM O=C([O-])c1cccc(N2C(=O)c3ccc(I)cc3C2=O)c1 ZINC000000984380 551091583 /nfs/dbraw/zinc/09/15/83/551091583.db2.gz MRTPSRWHHQXPDA-UHFFFAOYSA-N -1 0 393.136 2.790 50 0 GFAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)N1CCCC1 ZINC000016848401 551112178 /nfs/dbraw/zinc/11/21/78/551112178.db2.gz LGFMWKNKZCXSBA-UHFFFAOYSA-N -1 0 383.470 2.638 50 0 GFAARM Cc1c(C(=O)[O-])sc2[nH]c(=S)n(NC(=O)Cc3cccs3)c(=O)c12 ZINC000017077979 551112222 /nfs/dbraw/zinc/11/22/22/551112222.db2.gz HBPNKDBJACRAMJ-UHFFFAOYSA-N -1 0 381.460 2.502 50 0 GFAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2csc(Br)c2)C1=O ZINC000030579040 551128150 /nfs/dbraw/zinc/12/81/50/551128150.db2.gz BOWDWQCKBSDCFG-OAHLLOKOSA-N -1 0 394.250 2.623 50 0 GFAARM CN(CCCC(=O)[O-])C(=O)C1(c2cccc(Br)c2)CCOCC1 ZINC000237253353 553076426 /nfs/dbraw/zinc/07/64/26/553076426.db2.gz RGSSMJOUNHKXSP-UHFFFAOYSA-N -1 0 384.270 2.821 50 0 GFAARM CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000000625679 560178457 /nfs/dbraw/zinc/17/84/57/560178457.db2.gz GPIOGTIFRDHWSB-SFHVURJKSA-N -1 0 398.484 2.880 50 0 in-vitro GFAARM COc1ccc2c(c1OC)C(=O)N1[C@@H]2c2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-] ZINC000000754221 560178698 /nfs/dbraw/zinc/17/86/98/560178698.db2.gz NNRWDPOHSYYGEI-KDOFPFPSSA-N -1 0 378.384 2.740 50 0 biogenic,in-vitro GFAARM COc1ccc(-c2nnnn2C)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000005942648 570223318 /nfs/dbraw/zinc/22/33/18/570223318.db2.gz ACXIZGDAIQUEHB-UHFFFAOYSA-N -1 0 393.856 2.648 50 0 GFAARM CCc1ccc(OCC(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2OC)cc1 ZINC000001159656 570251425 /nfs/dbraw/zinc/25/14/25/570251425.db2.gz ZRUJXUCWVMCLOC-UHFFFAOYSA-N -1 0 388.445 2.848 50 0 GFAARM CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1)c1ccccc1 ZINC000236689346 570256433 /nfs/dbraw/zinc/25/64/33/570256433.db2.gz MDSBZMRMYHPBGQ-FQEVSTJZSA-N -1 0 394.471 2.899 50 0 GFAARM Cc1cccc(N2CCN(C(=O)Cc3csc([N-]c4ncccn4)n3)CC2)c1 ZINC000049029406 570260406 /nfs/dbraw/zinc/26/04/06/570260406.db2.gz LSMLKLXEPNHRFF-UHFFFAOYSA-N -1 0 394.504 2.876 50 0 GFAARM CC(C)(C)n1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(-c2ccccc2Cl)n1 ZINC000236775663 570260615 /nfs/dbraw/zinc/26/06/15/570260615.db2.gz YWNWQNFCASVDNP-OAHLLOKOSA-N -1 0 391.855 2.884 50 0 GFAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(C)cc(N2CCCC2=O)cc1C ZINC000001422685 570262494 /nfs/dbraw/zinc/26/24/94/570262494.db2.gz UGZVACNTWCNZCB-UHFFFAOYSA-N -1 0 376.482 2.581 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)c(Cl)c1 ZINC000100033028 570265133 /nfs/dbraw/zinc/26/51/33/570265133.db2.gz IOZKNBMWIVVUEK-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM CCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)[O-])cc2)s1 ZINC000218705016 570339319 /nfs/dbraw/zinc/33/93/19/570339319.db2.gz QNFACHJKWIMWRU-HZPDHXFCSA-N -1 0 375.446 2.975 50 0 GFAARM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000800954 570341776 /nfs/dbraw/zinc/34/17/76/570341776.db2.gz OXZJZDWZEMQVRE-UHFFFAOYSA-N -1 0 384.417 2.538 50 0 GFAARM Cn1cc(CCNC(=O)c2c([O-])c3ccccc3n(C)c2=O)c2ccccc21 ZINC000604405926 570358199 /nfs/dbraw/zinc/35/81/99/570358199.db2.gz XAYAACBPIRTKTD-UHFFFAOYSA-N -1 0 375.428 2.708 50 0 GFAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2OC)c1C ZINC000035480213 570367627 /nfs/dbraw/zinc/36/76/27/570367627.db2.gz RMGPFHGZIQJVEI-UHFFFAOYSA-N -1 0 382.438 2.626 50 0 GFAARM CC[C@H](C)NC(=O)CN(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000024115759 570379227 /nfs/dbraw/zinc/37/92/27/570379227.db2.gz RWBQXCUJOOFDPS-AWEZNQCLSA-N -1 0 384.505 2.902 50 0 GFAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)N1CCc2ccccc21 ZINC000012361058 570391539 /nfs/dbraw/zinc/39/15/39/570391539.db2.gz FJEBKHVNPOZZEV-UHFFFAOYSA-N -1 0 391.449 2.618 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004794514 570406062 /nfs/dbraw/zinc/40/60/62/570406062.db2.gz VFBACQGDAHTASH-USXIJHARSA-N -1 0 378.469 2.943 50 0 GFAARM C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000035686300 570417979 /nfs/dbraw/zinc/41/79/79/570417979.db2.gz QNSKHPWRZZSWJY-YVEFUNNKSA-N -1 0 385.416 2.515 50 0 GFAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000238095587 570424796 /nfs/dbraw/zinc/42/47/96/570424796.db2.gz KHASCCADGYAPJG-LBPRGKRZSA-N -1 0 377.828 2.826 50 0 GFAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1cccnc1 ZINC000005144784 570426565 /nfs/dbraw/zinc/42/65/65/570426565.db2.gz ANXAQFSXLSVYNC-UHFFFAOYSA-N -1 0 381.461 2.940 50 0 GFAARM Cc1ccc(CN2C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c3cccs3)CC2=O)cc1 ZINC000237727103 570427220 /nfs/dbraw/zinc/42/72/20/570427220.db2.gz URSCFUGANVEQRC-HOTGVXAUSA-N -1 0 386.473 2.737 50 0 GFAARM COc1ccc(CCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(OC)c1OC ZINC000240540874 570430821 /nfs/dbraw/zinc/43/08/21/570430821.db2.gz GPWLENJHLDOFTK-OAGGEKHMSA-N -1 0 391.464 2.889 50 0 GFAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)cc1Cl ZINC000089406805 570448361 /nfs/dbraw/zinc/44/83/61/570448361.db2.gz BXVSFTUMNLIVMO-UHFFFAOYSA-N -1 0 392.824 2.713 50 0 GFAARM O=C([N-]S(=O)(=O)CC(F)(F)F)c1cc(OCC2CC2)c2ccccc2n1 ZINC000129959837 570463463 /nfs/dbraw/zinc/46/34/63/570463463.db2.gz ZRTQRKMRMVVSPV-UHFFFAOYSA-N -1 0 388.367 2.646 50 0 GFAARM CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)[O-] ZINC000141883836 570502203 /nfs/dbraw/zinc/50/22/03/570502203.db2.gz RWMPPRIMKZLKTB-FQEVSTJZSA-N -1 0 396.443 2.751 50 0 GFAARM CCn1ncc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3Cl)c2)c1C ZINC000002805035 570517760 /nfs/dbraw/zinc/51/77/60/570517760.db2.gz ZDCYZXOJRZNKSE-UHFFFAOYSA-N -1 0 379.873 2.910 50 0 GFAARM CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCOCC2)cc1 ZINC000022854279 570556902 /nfs/dbraw/zinc/55/69/02/570556902.db2.gz ZPEWBBXOTVHBEN-MRXNPFEDSA-N -1 0 388.493 2.879 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccn(Cc2cccc(C(F)(F)F)c2)n1 ZINC000072402045 570738326 /nfs/dbraw/zinc/73/83/26/570738326.db2.gz LTTOTJYGTSBCNY-UHFFFAOYSA-N -1 0 391.309 2.691 50 0 GFAARM CCn1nc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c2ccccc2c1=O ZINC000013177007 570749744 /nfs/dbraw/zinc/74/97/44/570749744.db2.gz MAFISODNSFHOLZ-INIZCTEOSA-N -1 0 383.379 2.501 50 0 GFAARM O=C([O-])[C@H](CCc1ccccc1)NC(=O)NCc1nc(-c2ccsc2)no1 ZINC000013239586 570751621 /nfs/dbraw/zinc/75/16/21/570751621.db2.gz HJROBNFZQLGANX-AWEZNQCLSA-N -1 0 386.433 2.683 50 0 GFAARM O=C1[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CCC[C@H]32)C(=O)N1c1ccccc1 ZINC000013591553 570761172 /nfs/dbraw/zinc/76/11/72/570761172.db2.gz VGPPNMJOTXACEX-HRAATJIYSA-N -1 0 379.391 2.620 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(C)c4)c=3c2=O)c1 ZINC000101260825 570817483 /nfs/dbraw/zinc/81/74/83/570817483.db2.gz PSHHJFGMIIAYME-ROUUACIJSA-N -1 0 380.404 2.818 50 0 GFAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=O ZINC000101495307 570824974 /nfs/dbraw/zinc/82/49/74/570824974.db2.gz KONLCDTWWZUSTN-INIZCTEOSA-N -1 0 395.440 2.843 50 0 GFAARM COc1ccc(-n2c(=O)c(C(=O)NC3CCCC3)c([O-])c3cccnc32)cc1 ZINC000101723317 570830410 /nfs/dbraw/zinc/83/04/10/570830410.db2.gz MZMRWAGNGBXLKE-UHFFFAOYSA-N -1 0 379.416 2.772 50 0 GFAARM O=C(Cc1csc(-c2cccc(F)c2)n1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000102141312 570842132 /nfs/dbraw/zinc/84/21/32/570842132.db2.gz RIMIQXAVWSJZMD-HNNXBMFYSA-N -1 0 398.481 2.507 50 0 GFAARM Cc1ccc(Cl)c(OCC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000014370815 570843066 /nfs/dbraw/zinc/84/30/66/570843066.db2.gz DLNFGODGTVQHMZ-UHFFFAOYSA-N -1 0 377.853 2.984 50 0 GFAARM COc1ccccc1Nc1nc2nccc(-c3c([O-])cc(C)oc3=O)c2c(=O)[nH]1 ZINC000102338300 570846091 /nfs/dbraw/zinc/84/60/91/570846091.db2.gz ZCBYZJYJQLJAMV-UHFFFAOYSA-N -1 0 392.371 2.705 50 0 GFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(F)cc1F ZINC000003312352 570855379 /nfs/dbraw/zinc/85/53/79/570855379.db2.gz SLVAIUVYNHLJHC-UHFFFAOYSA-N -1 0 390.371 2.808 50 0 GFAARM COc1ccccc1N1CCN(C(=O)CSc2ccccc2C(=O)[O-])CC1 ZINC000012593667 570884034 /nfs/dbraw/zinc/88/40/34/570884034.db2.gz GRMWYQLWNWJRKP-UHFFFAOYSA-N -1 0 386.473 2.834 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccc(-c2nnco2)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159101296 570903885 /nfs/dbraw/zinc/90/38/85/570903885.db2.gz HQRSASTTYSUHMY-CVEARBPZSA-N -1 0 375.450 2.758 50 0 GFAARM CC(C)(C)c1cc(CNC(=O)c2cccc(-c3cncc(C(=O)[O-])n3)c2)[nH]n1 ZINC000534590944 570906554 /nfs/dbraw/zinc/90/65/54/570906554.db2.gz RHMJVHLAOJTPRB-UHFFFAOYSA-N -1 0 379.420 2.792 50 0 GFAARM COc1ccccc1NC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(C)cc1 ZINC000016662141 570929918 /nfs/dbraw/zinc/92/99/18/570929918.db2.gz GLQGCIUEYXZSTG-UHFFFAOYSA-N -1 0 397.456 2.986 50 0 GFAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000794194 570930092 /nfs/dbraw/zinc/93/00/92/570930092.db2.gz WKLJTSBXAWSUKP-IAGOWNOFSA-N -1 0 394.493 2.691 50 0 GFAARM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)[O-] ZINC000002094531 570940907 /nfs/dbraw/zinc/94/09/07/570940907.db2.gz CTDJCYDSJKIMLD-WBMJQRKESA-N -1 0 375.421 2.882 50 0 GFAARM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002103787 570943493 /nfs/dbraw/zinc/94/34/93/570943493.db2.gz RTDPOGLPMCJFGU-DZGCQCFKSA-N -1 0 375.421 2.855 50 0 GFAARM O=C1N[C@H](c2cccs2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000106213524 570954770 /nfs/dbraw/zinc/95/47/70/570954770.db2.gz SNYAFSBOUHECRX-GIPNMCIBSA-N -1 0 376.381 2.914 50 0 GFAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002124296 570957028 /nfs/dbraw/zinc/95/70/28/570957028.db2.gz KKGJKNOQCPDVMW-BFUOFWGJSA-N -1 0 381.384 2.811 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000106402316 570962181 /nfs/dbraw/zinc/96/21/81/570962181.db2.gz PXOSMUYMWYOVPI-WDEREUQCSA-N -1 0 391.777 2.513 50 0 GFAARM C[C@H](NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000084651796 571029833 /nfs/dbraw/zinc/02/98/33/571029833.db2.gz QHTKKQAJVBCFGT-JTQLQIEISA-N -1 0 396.852 2.931 50 0 GFAARM Cc1noc(C)c1CCC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000262700548 600486308 /nfs/dbraw/zinc/48/63/08/600486308.db2.gz CDRZKMLBOASCSK-GOSISDBHSA-N -1 0 399.447 2.942 50 0 GFAARM O=C([O-])CN(C(=O)CCc1ccccc1OC(F)(F)F)C1CCOCC1 ZINC000532260167 600957854 /nfs/dbraw/zinc/95/78/54/600957854.db2.gz ZGMSFRRVEYMZLJ-UHFFFAOYSA-N -1 0 375.343 2.610 50 0 GFAARM Cn1nc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)cc1C1CC1 ZINC000630140096 601011632 /nfs/dbraw/zinc/01/16/32/601011632.db2.gz KPNFKVRCAWENQD-QGZVFWFLSA-N -1 0 396.447 2.629 50 0 GFAARM Cc1nc2cc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)ccc2n1-c1ccccc1 ZINC000095970714 601739205 /nfs/dbraw/zinc/73/92/05/601739205.db2.gz PHDFTYYPTFYMEY-QGZVFWFLSA-N -1 0 379.416 2.650 50 0 GFAARM Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000079105844 655006894 /nfs/dbraw/zinc/00/68/94/655006894.db2.gz YBNCYRRLVQBSFH-UHFFFAOYSA-N -1 0 375.269 2.719 50 0 GFAARM O=C([O-])c1ccc(N2C(=O)c3ccc(I)cc3C2=O)cc1 ZINC000096564452 655031676 /nfs/dbraw/zinc/03/16/76/655031676.db2.gz MTPCHIIIMUUEBU-UHFFFAOYSA-N -1 0 393.136 2.790 50 0 GFAARM O=C([O-])C1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000013167500 203775473 /nfs/dbraw/zinc/77/54/73/203775473.db2.gz PTOKUVNDTDFOLM-UHFFFAOYSA-N -1 0 376.634 2.805 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)nc(C)n1 ZINC000000878783 203862416 /nfs/dbraw/zinc/86/24/16/203862416.db2.gz CNQWHBAIAOQABO-UHFFFAOYSA-N -1 0 383.433 2.542 50 0 GFAARM O=C([O-])c1cc(Br)cc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003313209 203996970 /nfs/dbraw/zinc/99/69/70/203996970.db2.gz HQTCPUCNRPRTAR-UHFFFAOYSA-N -1 0 382.235 2.899 50 0 GFAARM CC(C)[C@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] ZINC000004769916 204074140 /nfs/dbraw/zinc/07/41/40/204074140.db2.gz IGLVFZBSZQBERJ-WQJNHMDYSA-N -1 0 384.407 2.822 50 0 GFAARM COc1ccc(NC(=O)c2ccco2)cc1NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000005325285 204125398 /nfs/dbraw/zinc/12/53/98/204125398.db2.gz KAEMMQAXRFDJRK-HNNXBMFYSA-N -1 0 375.381 2.771 50 0 GFAARM Cc1cc([O-])c(C2=Nc3c(C(N)=O)cnn3[C@@H](c3ccc(Cl)cc3)C2)c(=O)o1 ZINC000006662812 204189969 /nfs/dbraw/zinc/18/99/69/204189969.db2.gz DEQRKELTFYPHKR-CQSZACIVSA-N -1 0 398.806 2.717 50 0 GFAARM CCOc1ccccc1N1CCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])CC1 ZINC000006715186 204194154 /nfs/dbraw/zinc/19/41/54/204194154.db2.gz SLONXHAASRIKPK-PNGKTBNWSA-N -1 0 386.492 2.871 50 0 GFAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000008135409 204262773 /nfs/dbraw/zinc/26/27/73/204262773.db2.gz KEEUSHFLHOTZMU-GOSISDBHSA-N -1 0 393.443 2.886 50 0 GFAARM COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000008183688 204263971 /nfs/dbraw/zinc/26/39/71/204263971.db2.gz VMFVJOSMYWVPKW-UHFFFAOYSA-N -1 0 399.432 2.930 50 0 GFAARM COc1ccc(NC(=O)CSC2=NC(=O)C(Cc3ccccc3)C([O-])=N2)cc1 ZINC000013108287 204482024 /nfs/dbraw/zinc/48/20/24/204482024.db2.gz IHSRCILHIFLPPB-UHFFFAOYSA-N -1 0 397.456 2.806 50 0 GFAARM CN1C(=O)[C@](O)(CC(=O)C2=C([O-])c3ccccc3CC2)c2cc(Cl)ccc21 ZINC000037501334 205027250 /nfs/dbraw/zinc/02/72/50/205027250.db2.gz JPARBIBNMJGEIY-VFNWGFHPSA-N -1 0 383.831 2.909 50 0 GFAARM CCc1nn2c(nnc3c(=O)n([C@@H](C)C(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040395916 205064448 /nfs/dbraw/zinc/06/44/48/205064448.db2.gz OZOSLSFSGKAJAQ-JTQLQIEISA-N -1 0 397.822 2.968 50 0 GFAARM CC(C)(C)OC(=O)N1CCC[C@@](NC(=O)OCc2ccccc2)(C(=O)[O-])C1 ZINC000044136950 205084795 /nfs/dbraw/zinc/08/47/95/205084795.db2.gz WFJMNSIPYXEIJT-IBGZPJMESA-N -1 0 378.425 2.767 50 0 GFAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)C1 ZINC000299742823 205096819 /nfs/dbraw/zinc/09/68/19/205096819.db2.gz KSNHMXBOGXHBJH-UKRRQHHQSA-N -1 0 381.270 2.519 50 0 GFAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3sc4c([n-]cnc4=O)c3c2)C1 ZINC000045796117 205097271 /nfs/dbraw/zinc/09/72/71/205097271.db2.gz PBKPCUSRCPZMIY-GHMZBOCLSA-N -1 0 377.491 2.804 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CCO1 ZINC000299752612 205106712 /nfs/dbraw/zinc/10/67/12/205106712.db2.gz UTUSSHLZFYBDQD-AQNXPRMDSA-N -1 0 381.428 2.681 50 0 GFAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1ccccc1 ZINC000299749063 205101626 /nfs/dbraw/zinc/10/16/26/205101626.db2.gz JARRPEAIUUUXSB-HNNXBMFYSA-N -1 0 387.823 2.815 50 0 GFAARM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C1CCOCC1 ZINC000299750010 205103424 /nfs/dbraw/zinc/10/34/24/205103424.db2.gz MJVTXIDMEZMDCM-ZIAGYGMSSA-N -1 0 387.354 2.781 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1cccs1 ZINC000299752619 205104856 /nfs/dbraw/zinc/10/48/56/205104856.db2.gz UUICLOMTJDKWNN-CYBMUJFWSA-N -1 0 393.852 2.877 50 0 GFAARM Cc1cccn2cc(Cn3c4cc(C(=O)[O-])ccc4n(CC4CC4)c3=O)nc12 ZINC000055099713 205143747 /nfs/dbraw/zinc/14/37/47/205143747.db2.gz FXZODZKYSUHFGA-UHFFFAOYSA-N -1 0 376.416 2.916 50 0 GFAARM O=C([O-])c1ccc(/C=C(\C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1 ZINC000051092002 205132318 /nfs/dbraw/zinc/13/23/18/205132318.db2.gz UJQBYDNBLYNXSP-SSZFMOIBSA-N -1 0 377.400 2.661 50 0 GFAARM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000058420819 205175573 /nfs/dbraw/zinc/17/55/73/205175573.db2.gz QVZIFOXPEJUHCR-XJKSGUPXSA-N -1 0 386.370 2.628 50 0 GFAARM COc1ccc(CCc2nnc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)s2)cc1 ZINC000071288147 205280896 /nfs/dbraw/zinc/28/08/96/205280896.db2.gz PONUFCKSIQBZKF-KGLIPLIRSA-N -1 0 375.450 2.627 50 0 GFAARM CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000071288328 205281246 /nfs/dbraw/zinc/28/12/46/205281246.db2.gz WOWQAAMGORGWHB-UHFFFAOYSA-N -1 0 390.399 2.699 50 0 GFAARM COc1cc(S(=O)(=O)N2C[C@H](C)c3ccccc32)cc(C(=O)[O-])c1OC ZINC000071818118 205298989 /nfs/dbraw/zinc/29/89/89/205298989.db2.gz XARANVNKTUATNH-NSHDSACASA-N -1 0 377.418 2.714 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1 ZINC000072401208 205343578 /nfs/dbraw/zinc/34/35/78/205343578.db2.gz CIFOIZCZSXWZPA-UHFFFAOYSA-N -1 0 377.282 2.836 50 0 GFAARM CC[C@@H](Cc1ccccc1Br)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237036834 205664509 /nfs/dbraw/zinc/66/45/09/205664509.db2.gz UTPWMNXUGZXPQE-JSGCOSHPSA-N -1 0 384.270 2.720 50 0 GFAARM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3OC)cc2C1 ZINC000096096304 206117762 /nfs/dbraw/zinc/11/77/62/206117762.db2.gz ASRHGZDIJANEDE-UHFFFAOYSA-N -1 0 394.424 2.760 50 0 GFAARM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1 ZINC000012552373 221204563 /nfs/dbraw/zinc/20/45/63/221204563.db2.gz SVAYCAMWYJTDEA-UHFFFAOYSA-N -1 0 394.499 2.863 50 0 GFAARM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)c1 ZINC000058391598 136155451 /nfs/dbraw/zinc/15/54/51/136155451.db2.gz FMTKFMFJIBLLEQ-UHFFFAOYSA-N -1 0 383.372 2.819 50 0 GFAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)C2)cc1 ZINC000072478615 222267677 /nfs/dbraw/zinc/26/76/77/222267677.db2.gz XVITVZWNFUCZJQ-HNNXBMFYSA-N -1 0 376.416 2.875 50 0 GFAARM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC=C2)C1 ZINC000426575038 534512429 /nfs/dbraw/zinc/51/24/29/534512429.db2.gz ONXSQICMVHOYOF-KRWDZBQOSA-N -1 0 379.416 2.663 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000000904083 551091658 /nfs/dbraw/zinc/09/16/58/551091658.db2.gz BYSQXYQCIQKQSU-AWEZNQCLSA-N -1 0 381.475 2.816 50 0 GFAARM Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)[O-])c12 ZINC000026421284 551120916 /nfs/dbraw/zinc/12/09/16/551120916.db2.gz PSBLLYMGWMMBQB-JTQLQIEISA-N -1 0 377.447 2.526 50 0 GFAARM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cccs3)cc2s1 ZINC000033298902 551133969 /nfs/dbraw/zinc/13/39/69/551133969.db2.gz NXPQZKXSPWANKF-UHFFFAOYSA-N -1 0 388.517 2.952 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@H]1SCCc2ccccc21 ZINC000132741137 551378428 /nfs/dbraw/zinc/37/84/28/551378428.db2.gz DYCFUVLZSDFSGY-INIZCTEOSA-N -1 0 383.441 2.941 50 0 GFAARM O=C([O-])C[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1cccs1 ZINC000238030070 553085292 /nfs/dbraw/zinc/08/52/92/553085292.db2.gz SQDMSXZWHCWHDY-NSHDSACASA-N -1 0 380.857 2.738 50 0 GFAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000261691842 553156829 /nfs/dbraw/zinc/15/68/29/553156829.db2.gz HRUOVIDDMSOTCC-QMMMGPOBSA-N -1 0 382.663 2.588 50 0 GFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004029168 560193215 /nfs/dbraw/zinc/19/32/15/560193215.db2.gz GMUYSWQSSRROPG-RTBURBONSA-N -1 0 396.443 2.600 50 0 biogenic,in-vitro GFAARM CCc1ccccc1NC(=O)[C@@H](Cc1cc(OC)ccc1OC)c1nnn[n-]1 ZINC000000931791 570229885 /nfs/dbraw/zinc/22/98/85/570229885.db2.gz JTLJWFQDQFGLTA-INIZCTEOSA-N -1 0 381.436 2.744 50 0 GFAARM CC1=CC(=C2C(=O)[N-]C(=O)NC2=O)C=C(C(F)(F)F)N1CCc1ccccc1 ZINC000001463398 570229903 /nfs/dbraw/zinc/22/99/03/570229903.db2.gz NGWGUZPTFODHNV-UHFFFAOYSA-N -1 0 391.349 2.557 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1 ZINC000100033408 570265460 /nfs/dbraw/zinc/26/54/60/570265460.db2.gz VVVXZNLHLIXOLA-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM CCOC(=O)[C@@]([N-]c1nnc(C)s1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002050069 570272648 /nfs/dbraw/zinc/27/26/48/570272648.db2.gz BWULONIMNSSXFO-AWEZNQCLSA-N -1 0 388.371 2.510 50 0 GFAARM COc1ccc(OC)c(C=CC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000010720905 570286929 /nfs/dbraw/zinc/28/69/29/570286929.db2.gz JZQXNHXYWYOHGX-QPJJXVBHSA-N -1 0 385.445 2.674 50 0 GFAARM Cc1cc2nnc(SCC(=O)N3CCC(C(=O)[O-])CC3)n2c2ccccc12 ZINC000003279596 570335580 /nfs/dbraw/zinc/33/55/80/570335580.db2.gz ORCYDTRMJFYPFV-UHFFFAOYSA-N -1 0 384.461 2.606 50 0 GFAARM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560907 570336259 /nfs/dbraw/zinc/33/62/59/570336259.db2.gz YINDOSYVRZADBY-LJQANCHMSA-N -1 0 394.427 2.601 50 0 GFAARM COc1ccc(CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(OC)c1OC ZINC000221904973 570374578 /nfs/dbraw/zinc/37/45/78/570374578.db2.gz GPWLENJHLDOFTK-JYJNAYRXSA-N -1 0 391.464 2.889 50 0 GFAARM CN(C)[C@H](CNC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccccc1Cl ZINC000024062420 570378307 /nfs/dbraw/zinc/37/83/07/570378307.db2.gz MCGXWJDPBOAWGH-QGZVFWFLSA-N -1 0 395.912 2.744 50 0 GFAARM C[C@H]1CN(Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000237628392 570385029 /nfs/dbraw/zinc/38/50/29/570385029.db2.gz HGGONKLSTKVCMH-TWOQFEAHSA-N -1 0 382.460 2.852 50 0 GFAARM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237734120 570393371 /nfs/dbraw/zinc/39/33/71/570393371.db2.gz MPJFBAQFOXWSBG-IBGZPJMESA-N -1 0 380.444 2.543 50 0 GFAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2ccccc2Cn2cncn2)CC1 ZINC000238069443 570422304 /nfs/dbraw/zinc/42/23/04/570422304.db2.gz IDCNKSPQMQMYDJ-UHFFFAOYSA-N -1 0 390.443 2.585 50 0 GFAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000238098031 570423495 /nfs/dbraw/zinc/42/34/95/570423495.db2.gz JMAAQFOKWOEMDM-INIZCTEOSA-N -1 0 391.855 2.681 50 0 GFAARM O=C([O-])C[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CCO1 ZINC000238200584 570431667 /nfs/dbraw/zinc/43/16/67/570431667.db2.gz NWDMFEIVVQCRAO-MRXNPFEDSA-N -1 0 383.448 2.592 50 0 GFAARM COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000089558809 570493225 /nfs/dbraw/zinc/49/32/25/570493225.db2.gz NVIYDWBSTGDBBE-UHFFFAOYSA-N -1 0 385.463 2.970 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2CCCO2)ccc1C ZINC000006623475 570507302 /nfs/dbraw/zinc/50/73/02/570507302.db2.gz SSZIPTGULHITSK-QGZVFWFLSA-N -1 0 390.461 2.922 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCC(C)C)CC2)cc1 ZINC000033274791 570523384 /nfs/dbraw/zinc/52/33/84/570523384.db2.gz AVDHWEMFSIMVIK-UHFFFAOYSA-N -1 0 391.493 2.896 50 0 GFAARM CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000034760411 570543911 /nfs/dbraw/zinc/54/39/11/570543911.db2.gz DSCBSBPYDCIRPP-OAHLLOKOSA-N -1 0 389.452 2.583 50 0 GFAARM CCc1nc2sc([C@H](c3cccc(F)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855179 570557445 /nfs/dbraw/zinc/55/74/45/570557445.db2.gz ATHSJYPDFZRCHE-HNNXBMFYSA-N -1 0 376.457 2.744 50 0 GFAARM CC(=O)N1C[C@H](C)Oc2cc(S(=O)(=O)[N-]c3ccc(Cl)cn3)ccc21 ZINC000097757761 570572561 /nfs/dbraw/zinc/57/25/61/570572561.db2.gz CKPKXDLQOYAESW-JTQLQIEISA-N -1 0 381.841 2.670 50 0 GFAARM CCOc1ccc(-c2nc(C)c(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)s2)cc1 ZINC000262874185 570699726 /nfs/dbraw/zinc/69/97/26/570699726.db2.gz YBKHEXUQRSTAQD-HNNXBMFYSA-N -1 0 390.461 2.833 50 0 GFAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)CC(C)C)CC4)cc1 ZINC000097942097 570743645 /nfs/dbraw/zinc/74/36/45/570743645.db2.gz OMPDVYQENOKFSC-UHFFFAOYSA-N -1 0 380.448 2.629 50 0 GFAARM Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000169987597 570781962 /nfs/dbraw/zinc/78/19/62/570781962.db2.gz YQDRUVWESMQFIK-UHFFFAOYSA-N -1 0 378.322 2.866 50 0 GFAARM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@H](C)N3CCCCC3=O)n2)cc1 ZINC000170606194 570863751 /nfs/dbraw/zinc/86/37/51/570863751.db2.gz OOJKEKIPVXTIEC-HNNXBMFYSA-N -1 0 384.480 2.832 50 0 GFAARM COc1cccc(NC(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC000103052034 570874242 /nfs/dbraw/zinc/87/42/42/570874242.db2.gz GALTUALYCYLCKF-UHFFFAOYSA-N -1 0 375.450 2.803 50 0 GFAARM O=C1CCc2cc(S(=O)(=O)[N-]c3cnc(-c4ccccc4)nc3)ccc2N1 ZINC000012585259 570880793 /nfs/dbraw/zinc/88/07/93/570880793.db2.gz WTUZNMZANSXQRH-UHFFFAOYSA-N -1 0 380.429 2.829 50 0 GFAARM COC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000103891312 570889853 /nfs/dbraw/zinc/88/98/53/570889853.db2.gz DQJCYEDLMBWMFG-DOTOQJQBSA-N -1 0 397.818 2.556 50 0 GFAARM C[C@@H](O)C[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000089895260 570918182 /nfs/dbraw/zinc/91/81/82/570918182.db2.gz JVBQWQIDXLGCHL-CJNGLKHVSA-N -1 0 394.518 2.924 50 0 GFAARM C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000089920495 570919615 /nfs/dbraw/zinc/91/96/15/570919615.db2.gz XOZBABYOXUVRSL-IONNQARKSA-N -1 0 375.650 2.909 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000016606065 570928772 /nfs/dbraw/zinc/92/87/72/570928772.db2.gz MLHDYKIMCOUZBA-KRWDZBQOSA-N -1 0 376.434 2.614 50 0 GFAARM O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047093050 570940139 /nfs/dbraw/zinc/94/01/39/570940139.db2.gz OHENZBBBHDCJHR-AWEZNQCLSA-N -1 0 377.372 2.740 50 0 GFAARM Cc1c(O)ccc2c(C)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc12 ZINC000002101584 570942852 /nfs/dbraw/zinc/94/28/52/570942852.db2.gz ZGWLUQXBQKFZEQ-SFHVURJKSA-N -1 0 381.384 2.600 50 0 GFAARM Cc1cc(C)n(Cc2ccc(C(=O)N(CCC(=O)[O-])C3CCOCC3)cc2)n1 ZINC000237659687 570944843 /nfs/dbraw/zinc/94/48/43/570944843.db2.gz RLWLSVWPFXNTQC-UHFFFAOYSA-N -1 0 385.464 2.644 50 0 GFAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCC(=O)[O-])ccc12 ZINC000002107759 570948637 /nfs/dbraw/zinc/94/86/37/570948637.db2.gz SNPXZLMZBFQGIK-ZDUSSCGKSA-N -1 0 375.421 2.802 50 0 GFAARM CCOc1ccc(-n2c(O)c3n(-c4cccc(C)c4)[n-]c(C(C)=O)c-3c2=O)cc1 ZINC000017837627 570949120 /nfs/dbraw/zinc/94/91/20/570949120.db2.gz XJBNOZBZSXDAQZ-UYAOXDASSA-N -1 0 391.427 2.717 50 0 GFAARM COc1cc2c(cc1OC)C(=O)O[C@H](c1ccc(OC)c(OC)c1C(=O)[O-])N2 ZINC000002151021 570972611 /nfs/dbraw/zinc/97/26/11/570972611.db2.gz RALFJHSOWLDVNC-QGZVFWFLSA-N -1 0 389.360 2.700 50 0 GFAARM O=C(OC[C@@H]1CCCCO1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000084392517 571016172 /nfs/dbraw/zinc/01/61/72/571016172.db2.gz MCZZCBBNBGMLJS-ZDUSSCGKSA-N -1 0 382.463 2.670 50 0 GFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)Cn3cnc4ccsc4c3=O)C2)c1 ZINC000095367454 571059319 /nfs/dbraw/zinc/05/93/19/571059319.db2.gz NGSIYCYTNNKHER-HNNXBMFYSA-N -1 0 397.456 2.562 50 0 GFAARM CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)c2ccncc2[O-])C1 ZINC000095511486 571082618 /nfs/dbraw/zinc/08/26/18/571082618.db2.gz IGCPQLKKOMIIFK-QGZVFWFLSA-N -1 0 396.491 2.516 50 0 GFAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(=O)[nH]c3ccccc32)cc1 ZINC000095512058 571082635 /nfs/dbraw/zinc/08/26/35/571082635.db2.gz GJXWZKBROWGGNI-GOSISDBHSA-N -1 0 380.400 2.873 50 0 GFAARM Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263443555 598210166 /nfs/dbraw/zinc/21/01/66/598210166.db2.gz FFIXMICRKBOPQQ-UHFFFAOYSA-N -1 0 381.476 2.758 50 0 GFAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)[C@H]1Cc3ccccc3O1)CC2 ZINC000277783920 599816916 /nfs/dbraw/zinc/81/69/16/599816916.db2.gz XUTZYLHUQNBLED-OXJNMPFZSA-N -1 0 397.427 2.608 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)ccc1Br ZINC000040205469 654620876 /nfs/dbraw/zinc/62/08/76/654620876.db2.gz KBTFHIYGRITGBN-UHFFFAOYSA-N -1 0 396.222 2.824 50 0 GFAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C=C(C)c2ccncc2)c1 ZINC000163380300 655135357 /nfs/dbraw/zinc/13/53/57/655135357.db2.gz YTGFNXBNUMHTFG-LUAWRHEFSA-N -1 0 378.837 2.846 50 0 GFAARM CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000001159111 203891911 /nfs/dbraw/zinc/89/19/11/203891911.db2.gz RGDZFOZKTJFEOF-UHFFFAOYSA-N -1 0 382.463 2.729 50 0 GFAARM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002433228 203944479 /nfs/dbraw/zinc/94/44/79/203944479.db2.gz ZXDGKJVGKVGXGC-PXAZEXFGSA-N -1 0 387.432 2.809 50 0 GFAARM O=C([O-])C[C@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccco1 ZINC000003618817 204015307 /nfs/dbraw/zinc/01/53/07/204015307.db2.gz VTBWVDOPEARKSI-INIZCTEOSA-N -1 0 398.415 2.768 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl ZINC000003959898 204023132 /nfs/dbraw/zinc/02/31/32/204023132.db2.gz ANKRQGACOYKGDO-UHFFFAOYSA-N -1 0 388.228 2.883 50 0 GFAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(F)c3)[n-]c2=O)cc1 ZINC000005154667 204114694 /nfs/dbraw/zinc/11/46/94/204114694.db2.gz NBDPWRQLXMWJNT-UHFFFAOYSA-N -1 0 384.436 2.934 50 0 GFAARM CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000005324374 204125518 /nfs/dbraw/zinc/12/55/18/204125518.db2.gz VZWOAZGWAMPLAZ-SJORKVTESA-N -1 0 390.480 2.964 50 0 GFAARM O=C([O-])CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000004980119 204099224 /nfs/dbraw/zinc/09/92/24/204099224.db2.gz WLCPIYKBYDOXRE-UHFFFAOYSA-N -1 0 398.278 2.767 50 0 GFAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000005953974 204158663 /nfs/dbraw/zinc/15/86/63/204158663.db2.gz ZQMYMMLWEHGEMP-WOPDTQHZSA-N -1 0 376.478 2.967 50 0 GFAARM O=C(COC(=O)c1ccc([O-])c(Br)c1)Nc1ccc2c(c1)OCO2 ZINC000006560057 204184250 /nfs/dbraw/zinc/18/42/50/204184250.db2.gz KIJVLWQWKJNHJC-UHFFFAOYSA-N -1 0 394.177 2.679 50 0 GFAARM COc1cccc(CN2CCN(C(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])CC2)c1 ZINC000006727037 204195520 /nfs/dbraw/zinc/19/55/20/204195520.db2.gz NMRKHYOCKIUMBD-UXHICEINSA-N -1 0 386.492 2.787 50 0 GFAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)o2)n[nH]1 ZINC000006887566 204220221 /nfs/dbraw/zinc/22/02/21/204220221.db2.gz YUTSTNGJWVUTTE-UHFFFAOYSA-N -1 0 396.222 2.593 50 0 GFAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000006887578 204220660 /nfs/dbraw/zinc/22/06/60/204220660.db2.gz ROIHSPILDIDSTK-UHFFFAOYSA-N -1 0 378.450 2.822 50 0 GFAARM COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000007420413 204241404 /nfs/dbraw/zinc/24/14/04/204241404.db2.gz STMCKAVXPMXZQF-UHFFFAOYSA-N -1 0 394.836 2.812 50 0 GFAARM COc1cccc(NC(=O)CSc2nc([O-])c(C)c(=O)n2-c2ccccc2)c1 ZINC000008571885 204280312 /nfs/dbraw/zinc/28/03/12/204280312.db2.gz CIBTVBZVUFOQBB-UHFFFAOYSA-N -1 0 397.456 2.986 50 0 GFAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCOC[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000008974687 204295031 /nfs/dbraw/zinc/29/50/31/204295031.db2.gz POEHVJKKULFRRA-UWJYYQICSA-N -1 0 395.390 2.697 50 0 GFAARM COc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(OC)c1 ZINC000009013364 204296733 /nfs/dbraw/zinc/29/67/33/204296733.db2.gz KMFYNPGESYYGPZ-AQTBWJFISA-N -1 0 395.415 2.981 50 0 GFAARM CCCCn1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c2ccccc2c1=O ZINC000008429572 204276598 /nfs/dbraw/zinc/27/65/98/204276598.db2.gz SURYDBKFGJKBLN-SFHVURJKSA-N -1 0 393.443 2.622 50 0 GFAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1ccc(F)cc1F ZINC000009530237 204315066 /nfs/dbraw/zinc/31/50/66/204315066.db2.gz WFXGHNVXUPSDNW-UHFFFAOYSA-N -1 0 383.401 2.807 50 0 GFAARM CCCCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000012927951 204466511 /nfs/dbraw/zinc/46/65/11/204466511.db2.gz GVCMCHHZDJLEDC-IRXDYDNUSA-N -1 0 394.493 2.713 50 0 GFAARM O=C([N-][C@H](N1CCOCC1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000025315690 204832953 /nfs/dbraw/zinc/83/29/53/204832953.db2.gz YMXAWKDEQJBWCG-RXMQYKEDSA-N -1 0 378.898 2.501 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000040156801 205059645 /nfs/dbraw/zinc/05/96/45/205059645.db2.gz LRGYMYMFJCJRJH-UHFFFAOYSA-N -1 0 383.857 2.982 50 0 GFAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1cc(Cl)c[nH]1)CC2 ZINC000299410585 205080119 /nfs/dbraw/zinc/08/01/19/205080119.db2.gz QGKHETCTPGJIIC-AWEZNQCLSA-N -1 0 378.812 2.900 50 0 GFAARM NC(=O)N[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1cccc(Oc2ccccc2)c1 ZINC000299743358 205097234 /nfs/dbraw/zinc/09/72/34/205097234.db2.gz NIHPNQRIIALQKP-CRAIPNDOSA-N -1 0 397.431 2.512 50 0 GFAARM COc1ccccc1-c1nc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cs1 ZINC000299753846 205107079 /nfs/dbraw/zinc/10/70/79/205107079.db2.gz ZOBDJMRJCSSPML-ZDUSSCGKSA-N -1 0 390.461 2.915 50 0 GFAARM O=C(Nc1ccccc1F)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249859 205221808 /nfs/dbraw/zinc/22/18/08/205221808.db2.gz YEEWMEVEPCHMKO-UHFFFAOYSA-N -1 0 378.363 2.870 50 0 GFAARM O=C([O-])c1cn(C[C@H]2CCCN(C(=O)C3(Nc4ccccc4)CCCC3)C2)nn1 ZINC000065526906 205236990 /nfs/dbraw/zinc/23/69/90/205236990.db2.gz ZUXUEWZFRLFHOG-INIZCTEOSA-N -1 0 397.479 2.640 50 0 GFAARM CN(C)c1ccc(C(=O)N2CCc3c(c(C(=O)[O-])nn3C)C2)c2ccccc21 ZINC000067974052 205269557 /nfs/dbraw/zinc/26/95/57/205269557.db2.gz HORJZZOESSEPNA-UHFFFAOYSA-N -1 0 378.432 2.536 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)NCc1ccccn1)c1cccc(Br)c1 ZINC000069351677 205273773 /nfs/dbraw/zinc/27/37/73/205273773.db2.gz RUGQURMCIVWFKN-CQSZACIVSA-N -1 0 378.226 2.859 50 0 GFAARM O=C([O-])c1cn(C[C@H]2CCCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)nn1 ZINC000067473285 205247964 /nfs/dbraw/zinc/24/79/64/205247964.db2.gz BZTYSGGGTUZUMS-AWEZNQCLSA-N -1 0 379.420 2.524 50 0 GFAARM COc1ccc(CCc2nnc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)s2)cc1 ZINC000071288143 205280608 /nfs/dbraw/zinc/28/06/08/205280608.db2.gz PONUFCKSIQBZKF-ZIAGYGMSSA-N -1 0 375.450 2.627 50 0 GFAARM CC[C@H](C)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2C1 ZINC000077322918 205358854 /nfs/dbraw/zinc/35/88/54/205358854.db2.gz INMKRZVLAMQWAF-LBPRGKRZSA-N -1 0 377.466 2.715 50 0 GFAARM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)[C@@H]1CCCO1 ZINC000078597038 205376260 /nfs/dbraw/zinc/37/62/60/205376260.db2.gz YBQFZZMUBCLJQN-ABAIWWIYSA-N -1 0 396.490 2.552 50 0 GFAARM CCCn1cc(S(=O)(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cn1 ZINC000095357273 205441928 /nfs/dbraw/zinc/44/19/28/205441928.db2.gz FYWHOYCSTYPAKA-MRXNPFEDSA-N -1 0 377.466 2.560 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N[C@@H](C)[C@@H]3CCOC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237481686 205683385 /nfs/dbraw/zinc/68/33/85/205683385.db2.gz ISRIKHAUGJGJAT-SUMWQHHRSA-N -1 0 385.464 2.661 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc1F ZINC000064976616 206105731 /nfs/dbraw/zinc/10/57/31/206105731.db2.gz JIUFGADSQVKWCA-UHFFFAOYSA-N -1 0 383.832 2.779 50 0 GFAARM COC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c([O-])nc2ccccn2c1=O ZINC000096115472 206118194 /nfs/dbraw/zinc/11/81/94/206118194.db2.gz YRDGDAABZYHNBZ-OAHLLOKOSA-N -1 0 378.384 2.523 50 0 GFAARM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000241815953 206129827 /nfs/dbraw/zinc/12/98/27/206129827.db2.gz SEKCMFSSJNSABG-UHFFFAOYSA-N -1 0 395.687 2.986 50 0 GFAARM Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCO[C@@H](C(=O)[O-])C4)cc3)o2)cc1 ZINC000408513438 534222413 /nfs/dbraw/zinc/22/24/13/534222413.db2.gz FOLLHTUAYVJHHL-QGZVFWFLSA-N -1 0 393.399 2.638 50 0 GFAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(=O)n(C)n3)c2)s1 ZINC000010324804 551104683 /nfs/dbraw/zinc/10/46/83/551104683.db2.gz XBKSEMYAFQLTNY-UHFFFAOYSA-N -1 0 375.475 2.872 50 0 GFAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)NC2CCCC2)cc1 ZINC000017077256 551112168 /nfs/dbraw/zinc/11/21/68/551112168.db2.gz LCRHEOJHTFEEGU-UHFFFAOYSA-N -1 0 377.495 2.506 50 0 GFAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(C)c1 ZINC000032933543 551132242 /nfs/dbraw/zinc/13/22/42/551132242.db2.gz YAGXOJVQCCJUAX-UHFFFAOYSA-N -1 0 382.873 2.618 50 0 GFAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1 ZINC000033307494 551133701 /nfs/dbraw/zinc/13/37/01/551133701.db2.gz DLQLWUQSARRTAA-UHFFFAOYSA-N -1 0 378.841 2.789 50 0 GFAARM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c1 ZINC000182749963 552292506 /nfs/dbraw/zinc/29/25/06/552292506.db2.gz IZOJNLGCTNCDND-UHFFFAOYSA-N -1 0 394.396 2.695 50 0 GFAARM C[C@@H](CN(C)C(=O)C1(c2cccc(Br)c2)CCOCC1)C(=O)[O-] ZINC000237371166 553077080 /nfs/dbraw/zinc/07/70/80/553077080.db2.gz RPAGVJGAPXEVBT-LBPRGKRZSA-N -1 0 384.270 2.676 50 0 GFAARM COc1cc(OC)c([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC ZINC000002121627 560186461 /nfs/dbraw/zinc/18/64/61/560186461.db2.gz UCESPARULGXJHG-QRWLVFNGSA-N -1 0 382.416 2.882 50 0 biogenic,in-vitro GFAARM O=C([O-])C[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1cccs1 ZINC000299739691 563390749 /nfs/dbraw/zinc/39/07/49/563390749.db2.gz ABDBDQAIGRLZFD-NSHDSACASA-N -1 0 376.459 2.519 50 0 GFAARM COc1ccc(Cc2nnc([N-]S(=O)(=O)c3ccc(OC)cc3)s2)cc1 ZINC000000789827 570223686 /nfs/dbraw/zinc/22/36/86/570223686.db2.gz IKJLSRGZJRPIJK-UHFFFAOYSA-N -1 0 391.474 2.947 50 0 GFAARM COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cc(Cl)c(O)c(OC)c1 ZINC000000815876 570224898 /nfs/dbraw/zinc/22/48/98/570224898.db2.gz DMLMQLXEOFATRF-UHFFFAOYSA-N -1 0 395.839 2.976 50 0 GFAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCCc2cc(F)cc(F)c21 ZINC000048332696 570237240 /nfs/dbraw/zinc/23/72/40/570237240.db2.gz IAJVGSYQQQCLNG-UHFFFAOYSA-N -1 0 397.399 2.742 50 0 GFAARM O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc2c(c1)OCO2 ZINC000018163852 570254518 /nfs/dbraw/zinc/25/45/18/570254518.db2.gz OXBOJLBOIHXQEN-UHFFFAOYSA-N -1 0 381.413 2.896 50 0 GFAARM O=C(Cn1[n-]c(-c2ccc(Cl)cc2)cc1=O)Nc1ccc2c(c1)OCCO2 ZINC000049006602 570257981 /nfs/dbraw/zinc/25/79/81/570257981.db2.gz PSMXUMFZYWHXGC-UHFFFAOYSA-N -1 0 385.807 2.907 50 0 GFAARM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)[O-])S(C)(=O)=O ZINC000002170339 570276994 /nfs/dbraw/zinc/27/69/94/570276994.db2.gz XYORHVIRBPKHHV-UHFFFAOYSA-N -1 0 396.852 2.751 50 0 GFAARM CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])cc1 ZINC000002620729 570292198 /nfs/dbraw/zinc/29/21/98/570292198.db2.gz LQXXAYVTSBKCEQ-UHFFFAOYSA-N -1 0 381.406 2.602 50 0 GFAARM COc1cccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034764625 570333051 /nfs/dbraw/zinc/33/30/51/570333051.db2.gz DSSUBOVQAJSRGP-UHFFFAOYSA-N -1 0 392.459 2.934 50 0 GFAARM Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237838656 570404377 /nfs/dbraw/zinc/40/43/77/570404377.db2.gz YKLFPWWFZQYCRH-CQSZACIVSA-N -1 0 375.856 2.927 50 0 GFAARM C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000035686301 570417983 /nfs/dbraw/zinc/41/79/83/570417983.db2.gz QNSKHPWRZZSWJY-SJKOYZFVSA-N -1 0 385.416 2.515 50 0 GFAARM Cc1oc(CN(C)C(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1C(=O)[O-] ZINC000268932741 570475590 /nfs/dbraw/zinc/47/55/90/570475590.db2.gz KINNZYVYUPWYBP-UHFFFAOYSA-N -1 0 391.811 2.741 50 0 GFAARM CCn1cc(S(=O)(=O)[N-]c2ccn(Cc3ccc(F)cc3Cl)n2)cn1 ZINC000002804620 570517146 /nfs/dbraw/zinc/51/71/46/570517146.db2.gz KLHKHGRESZKHDG-UHFFFAOYSA-N -1 0 383.836 2.741 50 0 GFAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NC[C@@H]1CCCO1 ZINC000002970212 570523501 /nfs/dbraw/zinc/52/35/01/570523501.db2.gz YWLSHUIZXSTGHX-AWEZNQCLSA-N -1 0 375.494 2.915 50 0 GFAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000032962223 570543014 /nfs/dbraw/zinc/54/30/14/570543014.db2.gz CIBUTXOSCIEAAS-UHFFFAOYSA-N -1 0 390.461 2.585 50 0 GFAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000005302736 570550349 /nfs/dbraw/zinc/55/03/49/570550349.db2.gz SYVDVMCFEGVCHH-HOTGVXAUSA-N -1 0 376.453 2.574 50 0 GFAARM COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1ccccc1 ZINC000086066876 570735737 /nfs/dbraw/zinc/73/57/37/570735737.db2.gz HLBLXVMPKKEONN-UHFFFAOYSA-N -1 0 389.415 2.582 50 0 GFAARM O=C([O-])c1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000000957783 570738784 /nfs/dbraw/zinc/73/87/84/570738784.db2.gz CLXNVVVMAUENRB-UHFFFAOYSA-N -1 0 383.429 2.674 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc3c(c2)CCO3)cc1OC ZINC000013257031 570751580 /nfs/dbraw/zinc/75/15/80/570751580.db2.gz TVWPPXRDMDEPHU-INIZCTEOSA-N -1 0 385.416 2.513 50 0 GFAARM CCn1c(=O)c2ccc(C(=O)NCCOc3cccc(C)c3)cc2[n-]c1=S ZINC000018147568 570806401 /nfs/dbraw/zinc/80/64/01/570806401.db2.gz GCHXYOVYOIKIBT-UHFFFAOYSA-N -1 0 383.473 2.822 50 0 GFAARM C[C@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)c1ccc2c(c1)OCO2 ZINC000032795348 570815702 /nfs/dbraw/zinc/81/57/02/570815702.db2.gz FJSPDLUFHMBMQI-JTQLQIEISA-N -1 0 386.433 2.616 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccc(F)cc3)n2)cc1 ZINC000014225598 570831961 /nfs/dbraw/zinc/83/19/61/570831961.db2.gz ZIDZPTIAHDDDBX-UHFFFAOYSA-N -1 0 388.424 2.830 50 0 GFAARM Cc1nn(Cc2cccc(F)c2)c(C)c1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000014231709 570834054 /nfs/dbraw/zinc/83/40/54/570834054.db2.gz DATYVZSWGMVVNQ-UHFFFAOYSA-N -1 0 391.472 2.838 50 0 GFAARM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnco3)c2)C1(C)C ZINC000159041827 570882352 /nfs/dbraw/zinc/88/23/52/570882352.db2.gz TYZXZUYETJRMTI-CABCVRRESA-N -1 0 375.450 2.780 50 0 GFAARM COC(=O)c1ccc(NC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000016200224 570917154 /nfs/dbraw/zinc/91/71/54/570917154.db2.gz GESVGCOOZCQMCM-UHFFFAOYSA-N -1 0 397.406 2.971 50 0 GFAARM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC000263588478 570932978 /nfs/dbraw/zinc/93/29/78/570932978.db2.gz UOANWEXDZIZACO-INIZCTEOSA-N -1 0 396.451 2.510 50 0 GFAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000017079629 570940509 /nfs/dbraw/zinc/94/05/09/570940509.db2.gz BZLMHLGLEYHFPS-CQSZACIVSA-N -1 0 390.461 2.605 50 0 GFAARM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)[O-] ZINC000002094532 570940980 /nfs/dbraw/zinc/94/09/80/570940980.db2.gz CTDJCYDSJKIMLD-MLGOLLRUSA-N -1 0 375.421 2.882 50 0 GFAARM CCCC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002098865 570941656 /nfs/dbraw/zinc/94/16/56/570941656.db2.gz RMHCEHNMVCAJHD-OAHLLOKOSA-N -1 0 375.421 2.721 50 0 GFAARM Cc1cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002099555 570941713 /nfs/dbraw/zinc/94/17/13/570941713.db2.gz KJQCQRGKHLUSAP-IBGZPJMESA-N -1 0 387.432 2.584 50 0 GFAARM Cc1cc(C)n(-c2ccc(C(=O)N(CCC(=O)[O-])C3CCOCC3)cc2F)n1 ZINC000237679782 570944512 /nfs/dbraw/zinc/94/45/12/570944512.db2.gz FUMHZDSJDOGVCP-UHFFFAOYSA-N -1 0 389.427 2.724 50 0 GFAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(C(=O)[O-])CC3)c12 ZINC000002113796 570950800 /nfs/dbraw/zinc/95/08/00/570950800.db2.gz UOJYPYWTHKIZNC-UHFFFAOYSA-N -1 0 387.432 2.756 50 0 GFAARM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000002148089 570972295 /nfs/dbraw/zinc/97/22/95/570972295.db2.gz WRYNFKDCCOOQAP-CJNGLKHVSA-N -1 0 375.421 2.937 50 0 GFAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc2c1 ZINC000002155498 570973354 /nfs/dbraw/zinc/97/33/54/570973354.db2.gz WGKJDQCIWZRJNI-INIZCTEOSA-N -1 0 375.421 2.658 50 0 GFAARM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000170656453 571000004 /nfs/dbraw/zinc/00/00/04/571000004.db2.gz FJAOQBNQJUESER-AWEZNQCLSA-N -1 0 392.452 2.880 50 0 GFAARM COc1cc(S(=O)(=O)N2CCCc3ccccc32)cc(C(=O)[O-])c1OC ZINC000045946167 571003047 /nfs/dbraw/zinc/00/30/47/571003047.db2.gz FFZHIDVBVXYFFQ-UHFFFAOYSA-N -1 0 377.418 2.544 50 0 GFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3nc4ccccc4[nH]c3=O)C2)c1 ZINC000095368275 571059284 /nfs/dbraw/zinc/05/92/84/571059284.db2.gz JOCVHGSPKOMGMN-OAHLLOKOSA-N -1 0 377.400 2.641 50 0 GFAARM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N[C@H](C)c2ccccc2)c1OC ZINC000033530834 600168803 /nfs/dbraw/zinc/16/88/03/600168803.db2.gz QZMQAMWXOTYECC-ASCRHOAZSA-N -1 0 391.445 2.841 50 0 GFAARM Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)cc1C(=O)[O-] ZINC000232756715 600766329 /nfs/dbraw/zinc/76/63/29/600766329.db2.gz FRFJGSFUQNPKLM-MRXNPFEDSA-N -1 0 394.518 2.870 50 0 GFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccn(Cc2ccc(F)cc2Cl)n1 ZINC000002804880 654438559 /nfs/dbraw/zinc/43/85/59/654438559.db2.gz UTVWGDVSQKYFKQ-UHFFFAOYSA-N -1 0 383.836 2.865 50 0 GFAARM O=C([O-])c1csc(S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2)c1 ZINC000509045058 655417162 /nfs/dbraw/zinc/41/71/62/655417162.db2.gz HRZNBGUELLMXQJ-ZDUSSCGKSA-N -1 0 385.438 2.818 50 0 GFAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1Cl)CC[C@@H](C)C3 ZINC000002778286 203961484 /nfs/dbraw/zinc/96/14/84/203961484.db2.gz SNDLMOZPKWOGTR-MRVPVSSYSA-N -1 0 391.884 2.662 50 0 GFAARM Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000002827365 203965957 /nfs/dbraw/zinc/96/59/57/203965957.db2.gz ZFKAXWWHOZVLRG-HJDVLLJCSA-N -1 0 380.444 2.991 50 0 GFAARM O=C([O-])Cn1c(=O)c2sccc2nc1SCC(=O)c1ccc(F)cc1 ZINC000002932276 203975564 /nfs/dbraw/zinc/97/55/64/203975564.db2.gz HOGQKMYKZAFECH-UHFFFAOYSA-N -1 0 378.406 2.657 50 0 GFAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(F)cc2)c(C(=O)OC)c1C ZINC000003416477 204005645 /nfs/dbraw/zinc/00/56/45/204005645.db2.gz JMZWHIOJRBUQND-UHFFFAOYSA-N -1 0 387.410 2.570 50 0 GFAARM CC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000004017711 204024428 /nfs/dbraw/zinc/02/44/28/204024428.db2.gz XWORNBALBISVMB-SNVBAGLBSA-N -1 0 384.672 2.504 50 0 GFAARM O=C([O-])[C@@H](CCCCNC(=S)NCc1ccccc1)NC(=O)c1ccccc1 ZINC000004724927 204069820 /nfs/dbraw/zinc/06/98/20/204069820.db2.gz VHWLHWFSDVVBGZ-GOSISDBHSA-N -1 0 399.516 2.704 50 0 GFAARM COc1ccc(CNC(=O)[C@@H](C(=O)c2ccc(F)cc2)n2ccccc2=O)cc1 ZINC000004435342 204044305 /nfs/dbraw/zinc/04/43/05/204044305.db2.gz FOMWWQUFSSAKIR-HXUWFJFHSA-N -1 0 394.402 2.736 50 0 GFAARM Cc1ccc2c(COC(=O)c3ccccc3[N-]S(C)(=O)=O)cc(=O)oc2c1 ZINC000004486700 204046797 /nfs/dbraw/zinc/04/67/97/204046797.db2.gz UKJIZYOKVVKPJE-UHFFFAOYSA-N -1 0 387.413 2.830 50 0 GFAARM O=S(=O)(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)c1cccs1 ZINC000004519380 204049777 /nfs/dbraw/zinc/04/97/77/204049777.db2.gz PMCIQWKCNJXAQE-OAHLLOKOSA-N -1 0 397.499 2.835 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004580596 204055649 /nfs/dbraw/zinc/05/56/49/204055649.db2.gz KJNLCHVJMMHBSW-HNNXBMFYSA-N -1 0 389.404 2.667 50 0 GFAARM CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000005158290 204116347 /nfs/dbraw/zinc/11/63/47/204116347.db2.gz KYGQIECXFZGJHA-GOSISDBHSA-N -1 0 390.399 2.966 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3c(C)cccc3C)c(=O)c1=2 ZINC000004992521 204101033 /nfs/dbraw/zinc/10/10/33/204101033.db2.gz XYMLIGXWGQOEGG-MJGOQNOKSA-N -1 0 391.431 2.544 50 0 GFAARM Cc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)o1 ZINC000005795576 204151228 /nfs/dbraw/zinc/15/12/28/204151228.db2.gz WNWLFAHYKYDPSC-MJVIPROJSA-N -1 0 390.408 2.918 50 0 GFAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C)C(=O)[O-])oc1c3CCCC1 ZINC000006075898 204163833 /nfs/dbraw/zinc/16/38/33/204163833.db2.gz BYZHIYDJQGXYJS-LLVKDONJSA-N -1 0 383.400 2.858 50 0 GFAARM C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1 ZINC000005574522 204140994 /nfs/dbraw/zinc/14/09/94/204140994.db2.gz FXVRTCVIGDJOCL-NSHDSACASA-N -1 0 396.852 2.896 50 0 GFAARM Cc1cc(C(=O)COC(=O)c2ccccc2[N-]S(C)(=O)=O)c(C)n1C1CC1 ZINC000005575498 204142129 /nfs/dbraw/zinc/14/21/29/204142129.db2.gz XHPALSGTNIHQLZ-UHFFFAOYSA-N -1 0 390.461 2.851 50 0 GFAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000006770686 204203599 /nfs/dbraw/zinc/20/35/99/204203599.db2.gz KKWVGFSDLXKNKU-SJORKVTESA-N -1 0 386.358 2.509 50 0 GFAARM COc1cc(S(=O)(=O)[N-]c2ncccc2C)c(OC)cc1Br ZINC000006706866 204193614 /nfs/dbraw/zinc/19/36/14/204193614.db2.gz OAXIQTBFIATCTP-UHFFFAOYSA-N -1 0 387.255 2.971 50 0 GFAARM Cc1oc2nc(CN(C)CCOc3ccc(Cl)cc3)nc(N)c2c1C(=O)[O-] ZINC000008735233 204287678 /nfs/dbraw/zinc/28/76/78/204287678.db2.gz QTMBCMMVNCDFRG-UHFFFAOYSA-N -1 0 390.827 2.976 50 0 GFAARM CCC(NN1CCCCCC1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000009014072 204296876 /nfs/dbraw/zinc/29/68/76/204296876.db2.gz BHQGXWFDMCTBLS-WUKNDPDISA-N -1 0 386.452 2.527 50 0 GFAARM Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009245599 204303988 /nfs/dbraw/zinc/30/39/88/204303988.db2.gz FRVYUQRIKOBCEA-FQEVSTJZSA-N -1 0 383.835 2.910 50 0 GFAARM COC(=O)CSc1nn2c([n-]1)nc(C)c(Cc1ccc(Cl)cc1)c2=O ZINC000009418833 204309262 /nfs/dbraw/zinc/30/92/62/204309262.db2.gz ZOIIBGOMKWHGQZ-UHFFFAOYSA-N -1 0 378.841 2.648 50 0 GFAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1nnn[n-]1)occ3C(C)(C)C ZINC000013653545 204501246 /nfs/dbraw/zinc/50/12/46/204501246.db2.gz PUJRPFDAMVGQQL-UHFFFAOYSA-N -1 0 381.392 2.839 50 0 GFAARM COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3ccc(Cl)s3)C2=O)cc1 ZINC000014117398 204524089 /nfs/dbraw/zinc/52/40/89/204524089.db2.gz UYCXKECAQIEGMG-INIZCTEOSA-N -1 0 379.825 2.522 50 0 GFAARM Cc1cc(F)c2c(c1)CCCN2S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000032626805 204914598 /nfs/dbraw/zinc/91/45/98/204914598.db2.gz ZHWABDVKQVRMGC-UHFFFAOYSA-N -1 0 379.409 2.739 50 0 GFAARM CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1 ZINC000033078751 204945188 /nfs/dbraw/zinc/94/51/88/204945188.db2.gz RAYZPHIENKVEKS-UHFFFAOYSA-N -1 0 381.432 2.614 50 0 GFAARM NC(=O)C1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000036321311 205010397 /nfs/dbraw/zinc/01/03/97/205010397.db2.gz NUCGBBLAOIYEEP-UHFFFAOYSA-N -1 0 386.452 2.900 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2s1 ZINC000036357078 205014233 /nfs/dbraw/zinc/01/42/33/205014233.db2.gz DARKZYCGLBCKBA-UHFFFAOYSA-N -1 0 395.491 2.649 50 0 GFAARM CC(C)(C)OC(=O)NCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000038528820 205037115 /nfs/dbraw/zinc/03/71/15/205037115.db2.gz GNMHHTYCWGVAML-NSHDSACASA-N -1 0 378.491 2.612 50 0 GFAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cc(Cl)cn1C)CC2 ZINC000299440207 205079554 /nfs/dbraw/zinc/07/95/54/205079554.db2.gz ZYMLTCFHQRJSIV-CQSZACIVSA-N -1 0 392.839 2.910 50 0 GFAARM O=C([O-])[C@H]1CCN(C(=O)[C@H](c2cccc(Br)c2)N2CCCC2)C1 ZINC000299742824 205096959 /nfs/dbraw/zinc/09/69/59/205096959.db2.gz KSNHMXBOGXHBJH-ZFWWWQNUSA-N -1 0 381.270 2.519 50 0 GFAARM COc1ccc(CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1C(=O)[O-] ZINC000299741101 205097577 /nfs/dbraw/zinc/09/75/77/205097577.db2.gz CTKMIYBCYVHMLU-KRWDZBQOSA-N -1 0 385.416 2.881 50 0 GFAARM COc1ccc(Br)c(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c1 ZINC000299742252 205098008 /nfs/dbraw/zinc/09/80/08/205098008.db2.gz AWBLRNWIIOJYHV-GFCCVEGCSA-N -1 0 386.242 2.554 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)cc1C(=O)[O-] ZINC000299747199 205098496 /nfs/dbraw/zinc/09/84/96/205098496.db2.gz CITYIHWEEQOJSU-CZUORRHYSA-N -1 0 376.434 2.526 50 0 GFAARM Cc1cccc(NC(=O)Cn2c3cc(C(=O)[O-])cnc3n(CC(C)C)c2=O)c1C ZINC000055074317 205141910 /nfs/dbraw/zinc/14/19/10/205141910.db2.gz QAXGSYDOVFXXPK-UHFFFAOYSA-N -1 0 396.447 2.808 50 0 GFAARM O=C([O-])c1cnc2c(c1)n(Cc1ccccn1)c(=O)n2Cc1ccc(F)cc1 ZINC000055199134 205145862 /nfs/dbraw/zinc/14/58/62/205145862.db2.gz PEPCZPSSLGKAFN-UHFFFAOYSA-N -1 0 378.363 2.527 50 0 GFAARM COc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1OC ZINC000063628480 205186043 /nfs/dbraw/zinc/18/60/43/205186043.db2.gz UISSTFLNPHTVGE-UHFFFAOYSA-N -1 0 379.434 2.844 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O)C(=O)[O-] ZINC000061720998 205183321 /nfs/dbraw/zinc/18/33/21/205183321.db2.gz UIMQDGMXAOTCGB-SZNDQCEHSA-N -1 0 393.443 2.679 50 0 GFAARM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cccc(Br)c2)s1 ZINC000065183689 205216134 /nfs/dbraw/zinc/21/61/34/205216134.db2.gz ZPKILPFTSSWULJ-UHFFFAOYSA-N -1 0 387.284 2.971 50 0 GFAARM CN1CCOc2ccc(NC(=O)C[C@@H](CC(=O)[O-])c3cccs3)cc2C1=O ZINC000090607320 205273106 /nfs/dbraw/zinc/27/31/06/205273106.db2.gz VNEMOBBXGXVSDW-LBPRGKRZSA-N -1 0 388.445 2.800 50 0 GFAARM COc1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCC3)c2)cc1F ZINC000071419271 205283682 /nfs/dbraw/zinc/28/36/82/205283682.db2.gz POYSLKXHWFMZLT-UHFFFAOYSA-N -1 0 379.409 2.984 50 0 GFAARM CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)[O-] ZINC000071335154 205283894 /nfs/dbraw/zinc/28/38/94/205283894.db2.gz HRIROBUYCMGIAW-SPLOXXLWSA-N -1 0 393.443 2.679 50 0 GFAARM CC(=O)Nc1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c2)c1 ZINC000071748202 205289886 /nfs/dbraw/zinc/28/98/86/205289886.db2.gz BXUXVSHSSRIHCG-UHFFFAOYSA-N -1 0 376.434 2.697 50 0 GFAARM [O-]c1c(Br)nc(Br)cc1I ZINC000077011331 205356761 /nfs/dbraw/zinc/35/67/61/205356761.db2.gz RCOZSTKGYDPHJR-UHFFFAOYSA-N -1 0 378.789 2.917 50 0 GFAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1cc(F)ccc1-n1cccn1)C2 ZINC000072422804 205348897 /nfs/dbraw/zinc/34/88/97/205348897.db2.gz XSLWBCZWHGDKNV-UHFFFAOYSA-N -1 0 383.427 2.631 50 0 GFAARM C[S@@](=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000079670155 205383496 /nfs/dbraw/zinc/38/34/96/205383496.db2.gz CEHRSUBRZOGRSW-CLYVBNDRSA-N -1 0 387.457 2.747 50 0 GFAARM Cc1ccc(I)c(C(=O)[O-])c1I ZINC000095910966 205504896 /nfs/dbraw/zinc/50/48/96/205504896.db2.gz YTDFDLUUKSMVQU-UHFFFAOYSA-N -1 0 387.942 2.902 50 0 GFAARM Cc1ccccc1-n1nc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c2c1CCC2 ZINC000237744903 205684150 /nfs/dbraw/zinc/68/41/50/205684150.db2.gz OTRWSGSXBUICOC-UHFFFAOYSA-N -1 0 397.475 2.765 50 0 GFAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc2oc1=O ZINC000016042715 205905156 /nfs/dbraw/zinc/90/51/56/205905156.db2.gz RTLPAGCOGXXQDI-CZUORRHYSA-N -1 0 375.421 2.793 50 0 GFAARM Cn1cccc1-c1noc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000225768371 206073604 /nfs/dbraw/zinc/07/36/04/206073604.db2.gz SDARLSXDRYANPD-UHFFFAOYSA-N -1 0 387.248 2.860 50 0 GFAARM O=S(=O)([N-]c1cnn(C2CCOCC2)c1)c1ccc(Br)cc1 ZINC000096123386 206119468 /nfs/dbraw/zinc/11/94/68/206119468.db2.gz XJSGGURRCRMLCD-UHFFFAOYSA-N -1 0 386.271 2.798 50 0 GFAARM CCCc1n[nH]cc1C(=O)N1CCc2[nH]c(-c3cccc(C(=O)[O-])c3)nc2C1 ZINC000244633404 206129368 /nfs/dbraw/zinc/12/93/68/206129368.db2.gz GCJGUODORPTOEQ-UHFFFAOYSA-N -1 0 379.420 2.649 50 0 GFAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccccc1I ZINC000039956955 206193269 /nfs/dbraw/zinc/19/32/69/206193269.db2.gz CWZBNWWTMMVCJC-JTQLQIEISA-N -1 0 377.178 2.942 50 0 GFAARM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000426415310 534511013 /nfs/dbraw/zinc/51/10/13/534511013.db2.gz IKADPQTXEHVAHG-LBPRGKRZSA-N -1 0 379.819 2.709 50 0 GFAARM COC(=O)CNc1nc(Cl)nc([N-]c2nc(-c3ccccc3)cs2)n1 ZINC000003169284 551092332 /nfs/dbraw/zinc/09/23/32/551092332.db2.gz CDAGPGKUECRINH-UHFFFAOYSA-N -1 0 376.829 2.977 50 0 GFAARM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 ZINC000003325319 551092622 /nfs/dbraw/zinc/09/26/22/551092622.db2.gz XJRKYXPKSMXFMZ-NSHDSACASA-N -1 0 377.315 2.737 50 0 GFAARM CSc1ncc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000019865249 551115220 /nfs/dbraw/zinc/11/52/20/551115220.db2.gz IHWPJKPOYUBUCV-UHFFFAOYSA-N -1 0 379.511 2.572 50 0 GFAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000238046928 553085616 /nfs/dbraw/zinc/08/56/16/553085616.db2.gz WLUXZVWLIYFQAN-AWEZNQCLSA-N -1 0 378.226 2.714 50 0 GFAARM CCn1nc(C)c([C@H](C)NS(=O)(=O)c2cc(Cl)sc2C(=O)[O-])c1C ZINC000670441491 565724030 /nfs/dbraw/zinc/72/40/30/565724030.db2.gz ZWYKGVULVODLMP-QMMMGPOBSA-N -1 0 391.902 2.972 50 0 GFAARM C[C@H](c1nc(C2CCOCC2)nn1-c1cccc(C(=O)[O-])c1)N1CCCC1=O ZINC000096162788 570217386 /nfs/dbraw/zinc/21/73/86/570217386.db2.gz RHBDOVWYXFUBRL-CYBMUJFWSA-N -1 0 384.436 2.543 50 0 GFAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000048353811 570240898 /nfs/dbraw/zinc/24/08/98/570240898.db2.gz CXCKGQWUUDFFET-UHFFFAOYSA-N -1 0 399.266 2.666 50 0 GFAARM CCCCN(Cc1ccsc1)C(=O)Cc1nn2c([n-]1)nc1c(c2=O)CCCC1 ZINC000102507896 570256636 /nfs/dbraw/zinc/25/66/36/570256636.db2.gz NJUUOPRFVHDFGI-UHFFFAOYSA-N -1 0 399.520 2.729 50 0 GFAARM Cc1cc(C)nc([N-]c2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)n1 ZINC000049029488 570260358 /nfs/dbraw/zinc/26/03/58/570260358.db2.gz MEOLDLBPOLLZHW-UHFFFAOYSA-N -1 0 382.449 2.574 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4C)c=3c2=O)cc1 ZINC000100032945 570265110 /nfs/dbraw/zinc/26/51/10/570265110.db2.gz QVWZEBGDOSYVPZ-RBUKOAKNSA-N -1 0 391.431 2.544 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)CSc3ccncc3)cc2s1 ZINC000015861975 570278569 /nfs/dbraw/zinc/27/85/69/570278569.db2.gz QFARELMDVTWCSL-UHFFFAOYSA-N -1 0 394.503 2.794 50 0 GFAARM COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000485513659 570281213 /nfs/dbraw/zinc/28/12/13/570281213.db2.gz FREGXHBLIRTQPX-CABCVRRESA-N -1 0 383.400 2.585 50 0 GFAARM O=CNCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002560725 570290872 /nfs/dbraw/zinc/29/08/72/570290872.db2.gz AJWAZAXPESSBGE-FQEVSTJZSA-N -1 0 396.443 2.895 50 0 GFAARM C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000237416285 570351394 /nfs/dbraw/zinc/35/13/94/570351394.db2.gz HGGONKLSTKVCMH-JXXFODFXSA-N -1 0 382.460 2.852 50 0 GFAARM COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205974103 570357255 /nfs/dbraw/zinc/35/72/55/570357255.db2.gz VVMZNTZUOVERNI-CYBMUJFWSA-N -1 0 390.342 2.697 50 0 GFAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237503932 570374077 /nfs/dbraw/zinc/37/40/77/570374077.db2.gz PVAIIHHRGSNRBM-HNNXBMFYSA-N -1 0 383.492 2.861 50 0 GFAARM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000227186391 570375575 /nfs/dbraw/zinc/37/55/75/570375575.db2.gz MNRWYFOFRIKXGN-PXAZEXFGSA-N -1 0 387.436 2.685 50 0 GFAARM Cn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc2n(C)c1=O ZINC000035510515 570385951 /nfs/dbraw/zinc/38/59/51/570385951.db2.gz KOJPIRBALJRWDA-UHFFFAOYSA-N -1 0 387.795 2.609 50 0 GFAARM Cc1c(C(=O)N(CC(=O)[O-])C2CCOCC2)cnn1-c1ccccc1Cl ZINC000237727604 570403356 /nfs/dbraw/zinc/40/33/56/570403356.db2.gz HDXPJUBVRWHVMZ-UHFFFAOYSA-N -1 0 377.828 2.540 50 0 GFAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3N[C@@H](c3ccc(O)cc3)C2)c(=O)s1 ZINC000035622403 570404093 /nfs/dbraw/zinc/40/40/93/570404093.db2.gz SNPODXVTQJWPBW-CQSZACIVSA-N -1 0 381.413 2.886 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000238041478 570421154 /nfs/dbraw/zinc/42/11/54/570421154.db2.gz UBIHYSRASHEMKK-GOSISDBHSA-N -1 0 382.391 2.604 50 0 GFAARM O=C([O-])CN(C(=O)CCc1ncc(-c2ccccc2F)o1)C1CCOCC1 ZINC000238098535 570423526 /nfs/dbraw/zinc/42/35/26/570423526.db2.gz WPEWANVYUFGXQA-UHFFFAOYSA-N -1 0 376.384 2.506 50 0 GFAARM O=C([O-])CN(C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)C1CCOCC1 ZINC000238114211 570425379 /nfs/dbraw/zinc/42/53/79/570425379.db2.gz SOIUXBMCVCPMSA-UHFFFAOYSA-N -1 0 398.246 2.885 50 0 GFAARM O=S(=O)([N-]c1ccc(-n2cccn2)nc1)c1cccc(OC(F)(F)F)c1 ZINC000026539493 570426513 /nfs/dbraw/zinc/42/65/13/570426513.db2.gz PSMUIETYYFADOH-UHFFFAOYSA-N -1 0 384.339 2.967 50 0 GFAARM C[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccc2c(c1)OCCCO2 ZINC000222993390 570435801 /nfs/dbraw/zinc/43/58/01/570435801.db2.gz JURIKXFEZIDMST-CQSZACIVSA-N -1 0 379.416 2.818 50 0 GFAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CCO1 ZINC000262705416 570454404 /nfs/dbraw/zinc/45/44/04/570454404.db2.gz DBVARTZRJQUXEJ-CYBMUJFWSA-N -1 0 389.429 2.502 50 0 GFAARM Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(Cc1ccc(C(=O)[O-])cc1)C2 ZINC000032919083 570516248 /nfs/dbraw/zinc/51/62/48/570516248.db2.gz FHLPYIJCVKQPRA-UHFFFAOYSA-N -1 0 390.443 2.929 50 0 GFAARM CCn1cc(S(=O)(=O)[N-]c2cnn(Cc3cccc(Cl)c3)c2)c(C)n1 ZINC000002793295 570517999 /nfs/dbraw/zinc/51/79/99/570517999.db2.gz BFTPXJBWWNIGCZ-UHFFFAOYSA-N -1 0 379.873 2.910 50 0 GFAARM O=C([O-])CCN(C(=O)c1ccc(N2CCCCCC2)nc1)C1CCOCC1 ZINC000370734279 570593534 /nfs/dbraw/zinc/59/35/34/570593534.db2.gz CNQRXPFBILQAKG-UHFFFAOYSA-N -1 0 375.469 2.558 50 0 GFAARM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000012390542 570643048 /nfs/dbraw/zinc/64/30/48/570643048.db2.gz STUSHGYZISJVPV-KRWDZBQOSA-N -1 0 389.452 2.855 50 0 GFAARM COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000012436900 570662625 /nfs/dbraw/zinc/66/26/25/570662625.db2.gz FOTUOPRNSYULOO-BIRYMOPTSA-N -1 0 396.443 2.692 50 0 GFAARM O=C(NC[C@@H]1CCCO1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215691 570734381 /nfs/dbraw/zinc/73/43/81/570734381.db2.gz FEBNBQSRXKZXJQ-AWEZNQCLSA-N -1 0 384.457 2.726 50 0 GFAARM CCc1ccc([C@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC000013073203 570745049 /nfs/dbraw/zinc/74/50/49/570745049.db2.gz VIGOPNLRVBLLBQ-SFHVURJKSA-N -1 0 376.478 2.528 50 0 GFAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 ZINC000013122425 570747508 /nfs/dbraw/zinc/74/75/08/570747508.db2.gz WKNLRMNROLNHDJ-HOTGVXAUSA-N -1 0 387.440 2.935 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCOc1ccc(F)cc1 ZINC000013234898 570751135 /nfs/dbraw/zinc/75/11/35/570751135.db2.gz NQMYXOHDKFFHSF-SFHVURJKSA-N -1 0 385.395 2.681 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc3c(c2)CCO3)cc1OC ZINC000013257030 570751749 /nfs/dbraw/zinc/75/17/49/570751749.db2.gz TVWPPXRDMDEPHU-MRXNPFEDSA-N -1 0 385.416 2.513 50 0 GFAARM Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CC2(C(=O)[O-])CCCC2)c1C ZINC000013468544 570755552 /nfs/dbraw/zinc/75/55/52/570755552.db2.gz IGVMURHWZZPKAF-UHFFFAOYSA-N -1 0 382.482 2.527 50 0 GFAARM CC[C@H](C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2=O)c1ccccc1 ZINC000013843386 570794297 /nfs/dbraw/zinc/79/42/97/570794297.db2.gz FYOGODRHQMCRDY-HNNXBMFYSA-N -1 0 380.400 2.890 50 0 GFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)c1 ZINC000032817725 570830664 /nfs/dbraw/zinc/83/06/64/570830664.db2.gz PYLRXISVWJEBGU-UHFFFAOYSA-N -1 0 376.438 2.830 50 0 GFAARM Cc1ccsc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)=NN1 ZINC000101763061 570833461 /nfs/dbraw/zinc/83/34/61/570833461.db2.gz JKKNQNYQETWEBU-HNNXBMFYSA-N -1 0 396.472 2.657 50 0 GFAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc(F)c(F)c1 ZINC000102173331 570842533 /nfs/dbraw/zinc/84/25/33/570842533.db2.gz UFXNWBQNRVDVMI-VIFPVBQESA-N -1 0 375.400 2.991 50 0 GFAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc(F)cc1F ZINC000102173175 570842555 /nfs/dbraw/zinc/84/25/55/570842555.db2.gz WKKXYIOHVIYEOU-SECBINFHSA-N -1 0 375.400 2.991 50 0 GFAARM O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2c(=O)n3[n-]ccc3nc2C1 ZINC000102990186 570872374 /nfs/dbraw/zinc/87/23/74/570872374.db2.gz YPXZFSRBDQMCHG-UHFFFAOYSA-N -1 0 377.326 2.632 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000170620475 570878039 /nfs/dbraw/zinc/87/80/39/570878039.db2.gz CDQCBQDLOFCMMF-MRXNPFEDSA-N -1 0 378.450 2.797 50 0 GFAARM Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3SCC(=O)[O-])cc1 ZINC000103316258 570880946 /nfs/dbraw/zinc/88/09/46/570880946.db2.gz QXBKQLWOPCQQBM-IBGZPJMESA-N -1 0 380.429 2.980 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000016606068 570928777 /nfs/dbraw/zinc/92/87/77/570928777.db2.gz MLHDYKIMCOUZBA-QGZVFWFLSA-N -1 0 376.434 2.614 50 0 GFAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2oc1=O ZINC000002095593 570941311 /nfs/dbraw/zinc/94/13/11/570941311.db2.gz RTLPAGCOGXXQDI-BBRMVZONSA-N -1 0 375.421 2.793 50 0 GFAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000002098086 570941777 /nfs/dbraw/zinc/94/17/77/570941777.db2.gz SENWQXATZZWXQH-LJQANCHMSA-N -1 0 381.384 2.682 50 0 GFAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002120036 570953716 /nfs/dbraw/zinc/95/37/16/570953716.db2.gz FIKUITCVMVMMMP-AWEZNQCLSA-N -1 0 389.429 2.631 50 0 GFAARM O=C([O-])[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 ZINC000002139933 570963057 /nfs/dbraw/zinc/96/30/57/570963057.db2.gz HQURCQXSIORDKI-QZTJIDSGSA-N -1 0 382.416 2.730 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)[O-] ZINC000002145850 570971250 /nfs/dbraw/zinc/97/12/50/570971250.db2.gz IWSBBCFFUAOWSK-VOJFVSQTSA-N -1 0 387.432 2.584 50 0 GFAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002147265 570971723 /nfs/dbraw/zinc/97/17/23/570971723.db2.gz AVZXMDYUSXVSHG-ZDUSSCGKSA-N -1 0 375.421 2.884 50 0 GFAARM Cc1ccccc1CSCCNC(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000091486257 571010357 /nfs/dbraw/zinc/01/03/57/571010357.db2.gz LDTZCHLFFXJCQA-UHFFFAOYSA-N -1 0 383.473 2.714 50 0 GFAARM COc1ccccc1[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@H]1C(=O)[O-] ZINC000091644091 571021481 /nfs/dbraw/zinc/02/14/81/571021481.db2.gz KFXOEGXIQAZECS-UONOGXRCSA-N -1 0 378.812 2.596 50 0 GFAARM CC(=O)c1c(C)nn(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1C ZINC000095361198 571055255 /nfs/dbraw/zinc/05/52/55/571055255.db2.gz XCYJEZGFIDAYPV-SFHVURJKSA-N -1 0 383.448 2.807 50 0 GFAARM CCc1ccccc1[C@H](C(=O)[O-])N1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000095521581 571087026 /nfs/dbraw/zinc/08/70/26/571087026.db2.gz SOQCQCZVYVMKLJ-OAQYLSRUSA-N -1 0 382.460 2.728 50 0 GFAARM CCCc1cc2c(nc(C)n([N-]C(=O)c3nn(CC)cc3Cl)c2=O)s1 ZINC000002782509 654438069 /nfs/dbraw/zinc/43/80/69/654438069.db2.gz SKKYVJDGVXFOQN-UHFFFAOYSA-N -1 0 379.873 2.973 50 0 GFAARM Cc1nn(C[C@H](C)C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C)c1Br ZINC000002794664 654438106 /nfs/dbraw/zinc/43/81/06/654438106.db2.gz PRDQMRUUHBFAMD-QMMMGPOBSA-N -1 0 396.241 2.941 50 0 GFAARM O=C([N-]S(=O)(=O)CC1CCCCC1)c1cccc(OCC(F)(F)F)n1 ZINC000172546627 655158596 /nfs/dbraw/zinc/15/85/96/655158596.db2.gz RDMQGTHOZPFLNX-UHFFFAOYSA-N -1 0 380.388 2.663 50 0 GFAARM Cc1nc(/C=C/C(=O)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cs1 ZINC000115921276 655242962 /nfs/dbraw/zinc/24/29/62/655242962.db2.gz KVPMXAQQNLIKNL-NWALNABHSA-N -1 0 398.893 2.947 50 0 GFAARM O=C([O-])CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000408513367 231048786 /nfs/dbraw/zinc/04/87/86/231048786.db2.gz ZALVHNSPLUSCAE-UHFFFAOYSA-N -1 0 375.343 2.610 50 0 GFAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000640043 203844896 /nfs/dbraw/zinc/84/48/96/203844896.db2.gz XTCGHODADVWNMJ-ZDUSSCGKSA-N -1 0 389.477 2.974 50 0 GFAARM O=C([O-])c1ccc(Br)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003254730 203993269 /nfs/dbraw/zinc/99/32/69/203993269.db2.gz HWFZLLOLJIFRBV-UHFFFAOYSA-N -1 0 382.235 2.899 50 0 GFAARM CCOc1ccc(Cc2nnc(Nc3ccc(OC)c(OC)c3)[n-]c2=O)cc1 ZINC000005154460 204115213 /nfs/dbraw/zinc/11/52/13/204115213.db2.gz ZFTMRNNOROJNHS-UHFFFAOYSA-N -1 0 382.420 2.915 50 0 GFAARM COc1ccc(OC)c(-n2c(Cn3ncc4ccccc4c3=O)n[n-]c2=S)c1 ZINC000006027257 204160878 /nfs/dbraw/zinc/16/08/78/204160878.db2.gz CCLXAYJQFRTDIM-UHFFFAOYSA-N -1 0 395.444 2.705 50 0 GFAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]CCc3ccc(Cl)cc3)c(=O)n12 ZINC000006823574 204212937 /nfs/dbraw/zinc/21/29/37/204212937.db2.gz IQYXUIBXQBOQMQ-UHFFFAOYSA-N -1 0 397.909 2.547 50 0 GFAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1)CCC2 ZINC000006706614 204193395 /nfs/dbraw/zinc/19/33/95/204193395.db2.gz KJFWGQONBCIICR-UHFFFAOYSA-N -1 0 394.474 2.783 50 0 GFAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3snnc3C)cc2)c1C ZINC000011914887 204360763 /nfs/dbraw/zinc/36/07/63/204360763.db2.gz XLXUFPOWPYGKLV-UHFFFAOYSA-N -1 0 393.450 2.504 50 0 GFAARM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1cc(F)cc(F)c1 ZINC000012585454 204427245 /nfs/dbraw/zinc/42/72/45/204427245.db2.gz QBXZCYZTRZWJEN-UHFFFAOYSA-N -1 0 377.376 2.754 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCCOc1ccccc1 ZINC000013236430 204485690 /nfs/dbraw/zinc/48/56/90/204485690.db2.gz UGXIWSBMTGLXOQ-IBGZPJMESA-N -1 0 381.432 2.932 50 0 GFAARM Cc1cc2nnc(SCC(=O)N3CCCC[C@@H]3C(=O)[O-])n2c2ccccc12 ZINC000013416511 204490305 /nfs/dbraw/zinc/49/03/05/204490305.db2.gz YDYOTOWDAGKFOJ-OAHLLOKOSA-N -1 0 384.461 2.749 50 0 GFAARM Cc1ccc(-c2csc(NC(=O)CSCC(=O)[O-])c2C(N)=O)cc1C ZINC000017077410 204605189 /nfs/dbraw/zinc/60/51/89/204605189.db2.gz UXBSUUBEPBIWJB-UHFFFAOYSA-N -1 0 378.475 2.887 50 0 GFAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000040156788 205059620 /nfs/dbraw/zinc/05/96/20/205059620.db2.gz OFWDOILLTOCKSB-UHFFFAOYSA-N -1 0 377.418 2.955 50 0 GFAARM CCc1nnc([N-][C@]2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)s1 ZINC000040286083 205060961 /nfs/dbraw/zinc/06/09/61/205060961.db2.gz VDYJBSXOVHAUGI-HNNXBMFYSA-N -1 0 399.398 2.566 50 0 GFAARM COc1c2c(c(CSc3ncccc3C(=O)[O-])c(OC)c1OC)C(=O)OC2 ZINC000040545263 205067230 /nfs/dbraw/zinc/06/72/30/205067230.db2.gz KSVKFOAVJZNWLS-UHFFFAOYSA-N -1 0 391.401 2.768 50 0 GFAARM CC(C)S(=O)(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000299388316 205080123 /nfs/dbraw/zinc/08/01/23/205080123.db2.gz ZHGFCSFVZRVFJJ-UAGQMJEPSA-N -1 0 379.478 2.727 50 0 GFAARM O=C([O-])C1CCN(C(=O)c2cccc(-n3cc(Br)cn3)c2)CC1 ZINC000299748024 205098448 /nfs/dbraw/zinc/09/84/48/205098448.db2.gz FWFHBBWJKOHNRJ-UHFFFAOYSA-N -1 0 378.226 2.572 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)cc1C(=O)[O-] ZINC000299747198 205098540 /nfs/dbraw/zinc/09/85/40/205098540.db2.gz CITYIHWEEQOJSU-CJNGLKHVSA-N -1 0 376.434 2.526 50 0 GFAARM CS(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000299338356 205078292 /nfs/dbraw/zinc/07/82/92/205078292.db2.gz FTDAEVZVCXJBFP-ONERCXAPSA-N -1 0 385.869 2.601 50 0 GFAARM O=C([O-])C[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1cccs1 ZINC000299752620 205104424 /nfs/dbraw/zinc/10/44/24/205104424.db2.gz UUICLOMTJDKWNN-ZDUSSCGKSA-N -1 0 393.852 2.877 50 0 GFAARM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000055149549 205143820 /nfs/dbraw/zinc/14/38/20/205143820.db2.gz SOSVCKVLJMZZPA-STQMWFEESA-N -1 0 384.354 2.893 50 0 GFAARM C[C@@H](NC(=O)c1c([O-])c2cnn(Cc3ccccc3)c2[nH]c1=O)c1ccccc1 ZINC000065249887 205222233 /nfs/dbraw/zinc/22/22/33/205222233.db2.gz BWLJEQLNJJGKLN-CQSZACIVSA-N -1 0 388.427 2.970 50 0 GFAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)cc1 ZINC000065246356 205222525 /nfs/dbraw/zinc/22/25/25/205222525.db2.gz NYIRYXRUBWRJEG-UHFFFAOYSA-N -1 0 389.389 2.794 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 ZINC000071285363 205281086 /nfs/dbraw/zinc/28/10/86/205281086.db2.gz UAEZIAPMEXQAKZ-SJORKVTESA-N -1 0 379.416 2.580 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000071284874 205279886 /nfs/dbraw/zinc/27/98/86/205279886.db2.gz LZBLDEJBRXMYHI-MSOLQXFVSA-N -1 0 380.444 2.954 50 0 GFAARM Cc1cc(C)n(-c2ccccc2CN2CCn3nc(CCC(=O)[O-])cc3C2)n1 ZINC000072157847 205312838 /nfs/dbraw/zinc/31/28/38/205312838.db2.gz CXLMROPEPFTEBL-UHFFFAOYSA-N -1 0 379.464 2.719 50 0 GFAARM Cc1cc(C)cc(C(=O)N2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)c1 ZINC000072435897 205350571 /nfs/dbraw/zinc/35/05/71/205350571.db2.gz YWGGSXGRNZUAGN-GOSISDBHSA-N -1 0 384.476 2.621 50 0 GFAARM Cc1ccc(C(=O)N2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)c(C)c1 ZINC000072419121 205347564 /nfs/dbraw/zinc/34/75/64/205347564.db2.gz WVXXYTHWGGFWJO-SFHVURJKSA-N -1 0 384.476 2.621 50 0 GFAARM Cc1ccc(F)c(OC2(C(=O)[O-])CCN(C(=O)Cc3cscn3)CC2)c1 ZINC000072427371 205349362 /nfs/dbraw/zinc/34/93/62/205349362.db2.gz IKRQZATXKRMVBK-UHFFFAOYSA-N -1 0 378.425 2.658 50 0 GFAARM Cc1c(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cnn1-c1ccccn1 ZINC000078902655 205376681 /nfs/dbraw/zinc/37/66/81/205376681.db2.gz WXXFAWFTTYGIPR-UHFFFAOYSA-N -1 0 397.460 2.725 50 0 GFAARM CC(C)CCn1cc([C@H](C(=O)[O-])N2CCN(C3CCCCC3)C(=O)C2)cn1 ZINC000095379737 205450456 /nfs/dbraw/zinc/45/04/56/205450456.db2.gz HPMNKNSGTKNGRQ-LJQANCHMSA-N -1 0 376.501 2.532 50 0 GFAARM COc1cc(C(=O)N(CCC(=O)[O-])C2CC2)ccc1OCc1c(C)noc1C ZINC000095969858 205511466 /nfs/dbraw/zinc/51/14/66/205511466.db2.gz GRMOUIDIYIEXMI-UHFFFAOYSA-N -1 0 388.420 2.958 50 0 GFAARM O=C([O-])c1ccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cn1 ZINC000237989502 205687594 /nfs/dbraw/zinc/68/75/94/205687594.db2.gz YYGSHOUJRSBHJY-UHFFFAOYSA-N -1 0 394.353 2.546 50 0 GFAARM O=S(=O)([N-]C[C@](O)(c1ccco1)c1cccs1)c1c(F)cccc1F ZINC000225589345 206059401 /nfs/dbraw/zinc/05/94/01/206059401.db2.gz MKWXHDBTEZUFNN-INIZCTEOSA-N -1 0 385.413 2.834 50 0 GFAARM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3ncon3)cc2)cc(C)c1F ZINC000241515665 206126747 /nfs/dbraw/zinc/12/67/47/206126747.db2.gz OGWZIGODYNHXOS-UHFFFAOYSA-N -1 0 375.381 2.611 50 0 GFAARM CCn1cc(S(=O)(=O)[N-]c2ncccc2C(=O)c2cc(F)cc(F)c2)cn1 ZINC000253427808 206147272 /nfs/dbraw/zinc/14/72/72/206147272.db2.gz DIKVGSCHMDVFRL-UHFFFAOYSA-N -1 0 392.387 2.608 50 0 GFAARM C[C@@H](C(=O)[O-])n1nc(Br)c(Br)c1Br ZINC000059949821 206214199 /nfs/dbraw/zinc/21/41/99/206214199.db2.gz RXLYXRLZUBANRU-REOHCLBHSA-N -1 0 376.830 2.816 50 0 GFAARM Cc1oc(-c2cccc(C)c2)nc1CN1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] ZINC000095367113 206218250 /nfs/dbraw/zinc/21/82/50/206218250.db2.gz UFAMREVZCVPWDU-MRXNPFEDSA-N -1 0 383.448 2.514 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000004306940 220703620 /nfs/dbraw/zinc/70/36/20/220703620.db2.gz FQJXTMSMRXNBOF-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1C(=O)[O-] ZINC000408526013 533651699 /nfs/dbraw/zinc/65/16/99/533651699.db2.gz UWLJGPFKNHQJNM-JTQLQIEISA-N -1 0 386.429 2.756 50 0 GFAARM Cc1oc(CN(C)C(=O)CCN2C(=O)CCc3cc(F)ccc32)cc1C(=O)[O-] ZINC000299748977 132425420 /nfs/dbraw/zinc/42/54/20/132425420.db2.gz ISZHCRIVFOSTTJ-UHFFFAOYSA-N -1 0 388.395 2.753 50 0 GFAARM C[C@@H](O)[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938080 551091625 /nfs/dbraw/zinc/09/16/25/551091625.db2.gz XTMIDCQCTISXHT-BUWDMPIASA-N -1 0 387.002 2.730 50 0 GFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)NC1CCCCC1 ZINC000009828683 551103849 /nfs/dbraw/zinc/10/38/49/551103849.db2.gz BYHWAOCEKCRWBQ-UHFFFAOYSA-N -1 0 379.507 2.935 50 0 GFAARM CCCn1nc(-n2cnnc2)c([N-]S(=O)(=O)c2ccccc2Cl)c1C ZINC000013365594 551109005 /nfs/dbraw/zinc/10/90/05/551109005.db2.gz PLDCTGJGWIWNAQ-UHFFFAOYSA-N -1 0 380.861 2.636 50 0 GFAARM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022465877 551117692 /nfs/dbraw/zinc/11/76/92/551117692.db2.gz PCWZLOBSDPMDJZ-AWEZNQCLSA-N -1 0 377.901 2.795 50 0 GFAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)c1Cl ZINC000026536553 551121581 /nfs/dbraw/zinc/12/15/81/551121581.db2.gz OHRMFLLFEFGTAS-UHFFFAOYSA-N -1 0 389.264 2.655 50 0 GFAARM CCOC(=O)N1CCC(NC(=O)c2cc(C)cc(Br)c2[O-])CC1 ZINC000047816662 551153612 /nfs/dbraw/zinc/15/36/12/551153612.db2.gz RRLAGKDXGCFNQB-UHFFFAOYSA-N -1 0 385.258 2.814 50 0 GFAARM CNC(=O)c1cnc(/C=C/c2ccc(OCC(=O)[O-])c(Br)c2)s1 ZINC000170643085 551636408 /nfs/dbraw/zinc/63/64/08/551636408.db2.gz YJIRLFNTXUXJPM-HWKANZROSA-N -1 0 397.250 2.899 50 0 GFAARM CC[C@@H](Cc1ccccc1Br)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237036898 553073617 /nfs/dbraw/zinc/07/36/17/553073617.db2.gz UTPWMNXUGZXPQE-GXTWGEPZSA-N -1 0 384.270 2.720 50 0 GFAARM COc1ccc2c(c1OC)C(=O)N1[C@@H]2c2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC000000754219 560178689 /nfs/dbraw/zinc/17/86/89/560178689.db2.gz NNRWDPOHSYYGEI-KSSFIOAISA-N -1 0 378.384 2.740 50 0 biogenic,in-vitro GFAARM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(OC)cc1Cl ZINC000019936624 570231679 /nfs/dbraw/zinc/23/16/79/570231679.db2.gz XHOLPCDVPDJGGR-UHFFFAOYSA-N -1 0 398.824 2.603 50 0 GFAARM CC(=O)N[C@H](CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1c(F)cccc1F ZINC000236717158 570253244 /nfs/dbraw/zinc/25/32/44/570253244.db2.gz AOCJPLSBBSONEI-XJKSGUPXSA-N -1 0 382.407 2.778 50 0 GFAARM CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1c(F)cccc1F ZINC000236716868 570253252 /nfs/dbraw/zinc/25/32/52/570253252.db2.gz AOCJPLSBBSONEI-CZUORRHYSA-N -1 0 382.407 2.778 50 0 GFAARM O=C([O-])c1ccc(N2CN(CCc3ccc(Cl)cc3)CC([N+](=O)[O-])=N2)cc1 ZINC000020457678 570259494 /nfs/dbraw/zinc/25/94/94/570259494.db2.gz NGYNFTQIQONWLR-UHFFFAOYSA-N -1 0 388.811 2.951 50 0 GFAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)NCc1ccccc1 ZINC000049003407 570261742 /nfs/dbraw/zinc/26/17/42/570261742.db2.gz IBMKNQYOXJFPMD-UHFFFAOYSA-N -1 0 384.461 2.757 50 0 GFAARM O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001441638 570263504 /nfs/dbraw/zinc/26/35/04/570263504.db2.gz PJZRVUSKPCHLPV-IBGZPJMESA-N -1 0 395.440 2.852 50 0 GFAARM O=C([O-])c1ccc(CCNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cc1 ZINC000485471233 570265573 /nfs/dbraw/zinc/26/55/73/570265573.db2.gz YKBVCHTYOZOLPE-UHFFFAOYSA-N -1 0 387.823 2.540 50 0 GFAARM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002094591 570274582 /nfs/dbraw/zinc/27/45/82/570274582.db2.gz URZDPNCTZDVGKL-SJKOYZFVSA-N -1 0 387.432 2.809 50 0 GFAARM NC(=O)[C@@H]1CCCN1[C@H](C(=O)[O-])c1c[nH]c2cc(OCc3ccccc3)ccc21 ZINC000020732627 570277564 /nfs/dbraw/zinc/27/75/64/570277564.db2.gz KTDJJSNWLNTZSV-PMACEKPBSA-N -1 0 393.443 2.822 50 0 GFAARM Cn1c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2n(C)c1=O ZINC000012290738 570290705 /nfs/dbraw/zinc/29/07/05/570290705.db2.gz SGVKFGHITCHPBJ-UHFFFAOYSA-N -1 0 386.260 2.985 50 0 GFAARM C[C@H](NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)[C@@H]1COc2ccccc21 ZINC000237581830 570381505 /nfs/dbraw/zinc/38/15/05/570381505.db2.gz WRZUACKPQQCZIU-BBRMVZONSA-N -1 0 377.400 2.865 50 0 GFAARM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237669411 570388799 /nfs/dbraw/zinc/38/87/99/570388799.db2.gz ZKKOKBRYVANBAC-HNNXBMFYSA-N -1 0 391.855 2.517 50 0 GFAARM Cc1ccc(-n2ncc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)c2C(F)(F)F)cc1 ZINC000237842791 570405487 /nfs/dbraw/zinc/40/54/87/570405487.db2.gz NPDKGKLSGWEJFU-ZDUSSCGKSA-N -1 0 397.353 2.515 50 0 GFAARM O=C([O-])C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)c1cccs1 ZINC000237997044 570419338 /nfs/dbraw/zinc/41/93/38/570419338.db2.gz MSRKRWXONAVFTD-AWEZNQCLSA-N -1 0 376.409 2.960 50 0 GFAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000238121795 570425915 /nfs/dbraw/zinc/42/59/15/570425915.db2.gz LAOOGIOQZBYKGN-CQSZACIVSA-N -1 0 388.370 2.894 50 0 GFAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)CCO1 ZINC000238200049 570431076 /nfs/dbraw/zinc/43/10/76/570431076.db2.gz WGEZMGZPYJHSPW-QGZVFWFLSA-N -1 0 393.443 2.660 50 0 GFAARM Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])sc1-c1ccccc1 ZINC000223091216 570442426 /nfs/dbraw/zinc/44/24/26/570442426.db2.gz LFYVJURUZIYPSX-HUUCEWRRSA-N -1 0 375.446 2.712 50 0 GFAARM CCOc1ccc(-c2nc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cs2)cc1 ZINC000262448593 570448317 /nfs/dbraw/zinc/44/83/17/570448317.db2.gz QIZMGZMIBNMNCO-AWEZNQCLSA-N -1 0 376.434 2.525 50 0 GFAARM CCc1ccc(NC(=O)[C@H](Cc2cccc(OC)c2OC)c2nnn[n-]2)cc1 ZINC000005667438 570450490 /nfs/dbraw/zinc/45/04/90/570450490.db2.gz OGDFFXIXALAYAX-MRXNPFEDSA-N -1 0 381.436 2.744 50 0 GFAARM COc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1OCc1cscn1 ZINC000269023321 570507442 /nfs/dbraw/zinc/50/74/42/570507442.db2.gz JIKLFQHAOGCTOO-GOSISDBHSA-N -1 0 376.434 2.668 50 0 GFAARM CCn1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)n1 ZINC000002809388 570519672 /nfs/dbraw/zinc/51/96/72/570519672.db2.gz DOLNZHMTHIGWGW-CABCVRRESA-N -1 0 390.484 2.795 50 0 GFAARM CCCOc1c(Br)cc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000269093741 570521646 /nfs/dbraw/zinc/52/16/46/570521646.db2.gz XLXDTIPSPZBYHN-GFCCVEGCSA-N -1 0 386.242 2.936 50 0 GFAARM COc1cc2nc(O)c(C(=O)NCc3ccccc3Cl)c([O-])c2cc1OC ZINC000097466286 570542040 /nfs/dbraw/zinc/54/20/40/570542040.db2.gz FRKSAILPUSNUFX-UHFFFAOYSA-N -1 0 388.807 2.834 50 0 GFAARM COC(=O)COc1c(Br)cc(/C=C/C(=O)[O-])cc1Br ZINC000012394664 570652683 /nfs/dbraw/zinc/65/26/83/570652683.db2.gz XPQKGLMVKYJGIJ-NSCUHMNNSA-N -1 0 394.015 2.861 50 0 GFAARM CCOc1ccc(-c2nc(C)c(C(=O)N3CCO[C@H](CC(=O)[O-])C3)s2)cc1 ZINC000262874188 570699658 /nfs/dbraw/zinc/69/96/58/570699658.db2.gz YBKHEXUQRSTAQD-OAHLLOKOSA-N -1 0 390.461 2.833 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)ncn1 ZINC000000939856 570731266 /nfs/dbraw/zinc/73/12/66/570731266.db2.gz FAYOBYROUSFVSB-UHFFFAOYSA-N -1 0 390.465 2.805 50 0 GFAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(N3CCCC3)nc2N(C)C)c1 ZINC000206733424 570739395 /nfs/dbraw/zinc/73/93/95/570739395.db2.gz MIHBOQHSQQHKEP-UHFFFAOYSA-N -1 0 375.498 2.560 50 0 GFAARM C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000013468252 570755624 /nfs/dbraw/zinc/75/56/24/570755624.db2.gz FBCCBTGBPOTPSX-BTYIYWSLSA-N -1 0 378.432 2.877 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(Cl)c4)c=3c2=O)c1 ZINC000033114713 570813158 /nfs/dbraw/zinc/81/31/58/570813158.db2.gz MGUJVDAUKDCIKE-JKSUJKDBSA-N -1 0 386.795 2.855 50 0 GFAARM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000001926299 570827011 /nfs/dbraw/zinc/82/70/11/570827011.db2.gz FTNDMDOTISPORI-UHFFFAOYSA-N -1 0 389.433 2.550 50 0 GFAARM COc1ccc(-c2noc(-c3c([O-])c4ccccc4n(C)c3=O)n2)c(OC)c1 ZINC000101725676 570831849 /nfs/dbraw/zinc/83/18/49/570831849.db2.gz YFKWQCVDZJQXEA-UHFFFAOYSA-N -1 0 379.372 2.978 50 0 GFAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)C(C)(C)C)cc1 ZINC000101802455 570835286 /nfs/dbraw/zinc/83/52/86/570835286.db2.gz JOCRNDCZLARUNE-UHFFFAOYSA-N -1 0 383.452 2.704 50 0 GFAARM COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)cc1F ZINC000102185484 570842908 /nfs/dbraw/zinc/84/29/08/570842908.db2.gz LIWLHLXVFPKUMR-JTQLQIEISA-N -1 0 387.436 2.861 50 0 GFAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl)N1CCOCC1 ZINC000012544862 570846312 /nfs/dbraw/zinc/84/63/12/570846312.db2.gz RCVJCJIPRQBNAZ-UHFFFAOYSA-N -1 0 398.843 2.752 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1OC ZINC000102820620 570865936 /nfs/dbraw/zinc/86/59/36/570865936.db2.gz OIFCTHPZOAEFMR-SJORKVTESA-N -1 0 384.367 2.649 50 0 GFAARM O=C([O-])[C@]12CN(C(=O)c3ccc([O-])c(Cl)c3)C[C@H]1C[N@@H+](C1CCCCC1)C2 ZINC000534652277 570914231 /nfs/dbraw/zinc/91/42/31/570914231.db2.gz LLDSKEZCEQXPAA-JLTOFOAXSA-N -1 0 392.883 2.837 50 0 GFAARM O=C(COC(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000004734951 570949010 /nfs/dbraw/zinc/94/90/10/570949010.db2.gz JFCKGZRLAHWGKJ-OAHLLOKOSA-N -1 0 379.334 2.702 50 0 GFAARM O=C([O-])c1cnn(CC(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c1 ZINC000020602600 570951492 /nfs/dbraw/zinc/95/14/92/570951492.db2.gz LFWACBWXEKUFCW-UHFFFAOYSA-N -1 0 394.218 2.772 50 0 GFAARM Cc1nc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cs1 ZINC000084271983 571011737 /nfs/dbraw/zinc/01/17/37/571011737.db2.gz LGNHTPKNSWBOFO-UHFFFAOYSA-N -1 0 394.503 2.639 50 0 GFAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccn(C)n1 ZINC000012780716 571034217 /nfs/dbraw/zinc/03/42/17/571034217.db2.gz DMGFGNIBVJTZIG-UHFFFAOYSA-N -1 0 388.424 2.921 50 0 GFAARM COc1cccc([C@@H]2CN(Cc3nc(C(C)C)no3)C[C@H]2C(=O)[O-])c1OC ZINC000092078166 571043855 /nfs/dbraw/zinc/04/38/55/571043855.db2.gz JCFDDRQQCJKVJW-UONOGXRCSA-N -1 0 375.425 2.510 50 0 GFAARM CCOCCn1nc(C)cc1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095355003 571051440 /nfs/dbraw/zinc/05/14/40/571051440.db2.gz DBTDBCCVOSVSHE-SFHVURJKSA-N -1 0 385.464 2.946 50 0 GFAARM COc1cccc(OC)c1[C@H](C(=O)[O-])N1CCN(Cc2cccs2)CC1 ZINC000095362654 571056615 /nfs/dbraw/zinc/05/66/15/571056615.db2.gz BPKDMZUDXZMSDZ-GOSISDBHSA-N -1 0 376.478 2.709 50 0 GFAARM CC(=O)c1c(C)nn(CC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1C ZINC000095363297 571057080 /nfs/dbraw/zinc/05/70/80/571057080.db2.gz AXMYPMBZYIKQMV-SFHVURJKSA-N -1 0 383.448 2.807 50 0 GFAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)CCc2cscn2)c1 ZINC000262715049 600485025 /nfs/dbraw/zinc/48/50/25/600485025.db2.gz GMYOHEYOEHBTJL-INIZCTEOSA-N -1 0 387.461 2.794 50 0 GFAARM COc1ccccc1C1=NN(c2nc(C(=O)[O-])cs2)[C@](O)(C(F)(F)F)C1 ZINC000005243239 209122072 /nfs/dbraw/zinc/12/20/72/209122072.db2.gz FHYDXBRIFGNLFK-CQSZACIVSA-N -1 0 387.339 2.715 50 0 GFAARM C[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000002105982 206292265 /nfs/dbraw/zinc/29/22/65/206292265.db2.gz BJJSPDHIKYCUPO-OLZOCXBDSA-N -1 0 381.384 2.817 50 0 GFAARM COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)N(C)c1ccc(F)c(F)c1 ZINC000096298035 206300934 /nfs/dbraw/zinc/30/09/34/206300934.db2.gz WKMCGWZUDASLJR-YWEYNIOJSA-N -1 0 383.372 2.896 50 0 GFAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)N1CCCCCC1 ZINC000009761947 206377146 /nfs/dbraw/zinc/37/71/46/206377146.db2.gz CRLRHFSJRISALX-UHFFFAOYSA-N -1 0 387.914 2.946 50 0 GFAARM CCC(=O)N[C@@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000001787033 206392370 /nfs/dbraw/zinc/39/23/70/206392370.db2.gz NIZVQHHNPBJKLL-NSHDSACASA-N -1 0 398.699 2.894 50 0 GFAARM Cc1c(OCC(=O)NCC(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002107740 206399626 /nfs/dbraw/zinc/39/96/26/206399626.db2.gz KKIXHVSWXTWSII-UHFFFAOYSA-N -1 0 395.411 2.580 50 0 GFAARM CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002433231 206416967 /nfs/dbraw/zinc/41/69/67/206416967.db2.gz ZXDGKJVGKVGXGC-SJCJKPOMSA-N -1 0 387.432 2.809 50 0 GFAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1 ZINC000004484026 206522358 /nfs/dbraw/zinc/52/23/58/206522358.db2.gz HSAPJPYSNJFLGZ-MOPGFXCFSA-N -1 0 394.431 2.760 50 0 GFAARM CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000005625459 206623440 /nfs/dbraw/zinc/62/34/40/206623440.db2.gz HNYVKTSHJDZYQF-UHFFFAOYSA-N -1 0 382.445 2.961 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc1 ZINC000006914029 206693355 /nfs/dbraw/zinc/69/33/55/206693355.db2.gz CQTGZAKMDLHHQU-UHFFFAOYSA-N -1 0 377.466 2.677 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000009386740 206784832 /nfs/dbraw/zinc/78/48/32/206784832.db2.gz HIZVPHFLIWLEFM-UHFFFAOYSA-N -1 0 398.853 2.570 50 0 GFAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)o2)n[nH]1 ZINC000015728252 207057057 /nfs/dbraw/zinc/05/70/57/207057057.db2.gz DPXCPHOPWQRWNU-UHFFFAOYSA-N -1 0 385.323 2.850 50 0 GFAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)c1 ZINC000015756750 207059998 /nfs/dbraw/zinc/05/99/98/207059998.db2.gz VENDRKFQNVFYHP-UHFFFAOYSA-N -1 0 378.450 2.644 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)no1 ZINC000017304591 207088683 /nfs/dbraw/zinc/08/86/83/207088683.db2.gz KFBVJVNHDQCIDD-UHFFFAOYSA-N -1 0 397.416 2.912 50 0 GFAARM COc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)c(OC)c1 ZINC000019881441 207169010 /nfs/dbraw/zinc/16/90/10/207169010.db2.gz DPKRIZLCZDJBBB-MRXNPFEDSA-N -1 0 387.413 2.826 50 0 GFAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1 ZINC000020574696 207204032 /nfs/dbraw/zinc/20/40/32/207204032.db2.gz KCCVUDSUDXOJQE-UHFFFAOYSA-N -1 0 375.431 2.502 50 0 GFAARM NC(=O)[C@@H]1CCCN1[C@@H](C(=O)[O-])c1c[nH]c2ccc(OCc3ccccc3)cc21 ZINC000020715694 207210023 /nfs/dbraw/zinc/21/00/23/207210023.db2.gz QPDFYGBRIGZVIP-VQTJNVASSA-N -1 0 393.443 2.822 50 0 GFAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c2)no1 ZINC000021701821 207234718 /nfs/dbraw/zinc/23/47/18/207234718.db2.gz HLFRONYBXGYCOR-UHFFFAOYSA-N -1 0 379.419 2.679 50 0 GFAARM Cc1nc2sc3ccccc3n2c(=O)c1S(=O)(=O)[N-]Cc1ccccc1 ZINC000021777439 207236152 /nfs/dbraw/zinc/23/61/52/207236152.db2.gz KJXXHYLXZIYPOJ-UHFFFAOYSA-N -1 0 385.470 2.696 50 0 GFAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000024435624 207290427 /nfs/dbraw/zinc/29/04/27/207290427.db2.gz LOXQNPGNAVUBPY-ZIAGYGMSSA-N -1 0 392.452 2.876 50 0 GFAARM COc1cccc(NC(=O)c2c([O-])c3cnn(-c4ccc(F)cc4)c3[nH]c2=O)c1 ZINC000065249941 207852076 /nfs/dbraw/zinc/85/20/76/207852076.db2.gz RETVCSWFSRYFRR-UHFFFAOYSA-N -1 0 394.362 2.819 50 0 GFAARM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000072059955 207970131 /nfs/dbraw/zinc/97/01/31/207970131.db2.gz XYKPFIQBXBGFNG-LSDHHAIUSA-N -1 0 397.269 2.628 50 0 GFAARM Cc1onc(-c2ccccc2)c1C(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072431761 208025047 /nfs/dbraw/zinc/02/50/47/208025047.db2.gz IVRSXGAXSHSWMP-UHFFFAOYSA-N -1 0 380.404 2.520 50 0 GFAARM Cc1cc2ccccc2n1CCC(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072457702 208026805 /nfs/dbraw/zinc/02/68/05/208026805.db2.gz LUNKJSQXKAZJIJ-UHFFFAOYSA-N -1 0 394.475 2.986 50 0 GFAARM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)CCC(=O)OC(C)(C)C ZINC000079102685 208073023 /nfs/dbraw/zinc/07/30/23/208073023.db2.gz YEFSGNKRIIPPRW-UHFFFAOYSA-N -1 0 384.498 2.642 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1c1ccc2c(c1)OCO2 ZINC000091808100 208138293 /nfs/dbraw/zinc/13/82/93/208138293.db2.gz PTSZQBLZJVSCPK-NWDGAFQWSA-N -1 0 375.327 2.634 50 0 GFAARM C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000089920492 208112229 /nfs/dbraw/zinc/11/22/29/208112229.db2.gz XOZBABYOXUVRSL-APPZFPTMSA-N -1 0 375.650 2.909 50 0 GFAARM COc1cccc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2C(=O)[O-])c1OC ZINC000091461961 208118560 /nfs/dbraw/zinc/11/85/60/208118560.db2.gz HTPPWOYFGGFPHN-DLBZAZTESA-N -1 0 387.407 2.712 50 0 GFAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000091451998 208119856 /nfs/dbraw/zinc/11/98/56/208119856.db2.gz GOXWLYMKDXWOTB-SFHVURJKSA-N -1 0 382.482 2.555 50 0 GFAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC000095367218 208164698 /nfs/dbraw/zinc/16/46/98/208164698.db2.gz ZULSVBCLEDPBES-UHFFFAOYSA-N -1 0 383.427 2.835 50 0 GFAARM CS(=O)(=O)c1cc(NC(=O)Cc2ccccc2OC(F)F)cc(C(=O)[O-])c1 ZINC000095425595 208180398 /nfs/dbraw/zinc/18/03/98/208180398.db2.gz KSDQNXOBMWPQIL-UHFFFAOYSA-N -1 0 399.371 2.571 50 0 GFAARM Cn1nnc2cc(C(=O)Nc3ccc(OCC(=O)[O-])c4ccccc34)ccc21 ZINC000095424931 208181057 /nfs/dbraw/zinc/18/10/57/208181057.db2.gz FDPHHDPMHJSNCE-UHFFFAOYSA-N -1 0 376.372 2.837 50 0 GFAARM O=C([O-])c1ccc(CCC(=O)N2CCn3c(nnc3-c3ccccc3)C2)cc1 ZINC000095424392 208181587 /nfs/dbraw/zinc/18/15/87/208181587.db2.gz QEIBWPWEEWPQEC-UHFFFAOYSA-N -1 0 376.416 2.618 50 0 GFAARM CCn1nc(C(C)C)cc1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000096152623 208276529 /nfs/dbraw/zinc/27/65/29/208276529.db2.gz ARDFZFVGJTZMMY-QVKFZJNVSA-N -1 0 383.448 2.729 50 0 GFAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000095992010 208251218 /nfs/dbraw/zinc/25/12/18/208251218.db2.gz QOZMTADFYMSFFZ-NSHDSACASA-N -1 0 398.253 2.937 50 0 GFAARM O=C(Nc1ccc(F)cc1)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000096361198 208309667 /nfs/dbraw/zinc/30/96/67/208309667.db2.gz BXUSUUSDQKRGAP-UHFFFAOYSA-N -1 0 378.360 2.741 50 0 GFAARM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100563689 208377329 /nfs/dbraw/zinc/37/73/29/208377329.db2.gz IPNTUDDADOYJGS-WMZOPIPTSA-N -1 0 381.819 2.972 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1OC ZINC000101169121 208387850 /nfs/dbraw/zinc/38/78/50/208387850.db2.gz LJEKQFDDYGNFRU-RBUKOAKNSA-N -1 0 394.431 2.814 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)c(Cl)c1 ZINC000098212469 208370494 /nfs/dbraw/zinc/37/04/94/208370494.db2.gz IOZKNBMWIVVUEK-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)c1 ZINC000101260820 208389818 /nfs/dbraw/zinc/38/98/18/208389818.db2.gz JPSSDIFFXCRXLR-JKSUJKDBSA-N -1 0 386.795 2.855 50 0 GFAARM O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000132909707 208476151 /nfs/dbraw/zinc/47/61/51/208476151.db2.gz JWJGBXMXCMULKH-QGZVFWFLSA-N -1 0 381.400 2.615 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)[O-] ZINC000002118842 208502263 /nfs/dbraw/zinc/50/22/63/208502263.db2.gz HLYQYHQAGQPREF-ZMZPIMSZSA-N -1 0 375.421 2.576 50 0 GFAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2nccs2)cc1)C(=O)[O-] ZINC000013579277 208785436 /nfs/dbraw/zinc/78/54/36/208785436.db2.gz XRXICBFIPPEIRC-NTMALXAHSA-N -1 0 377.447 2.843 50 0 GFAARM O=C([O-])CC1(CNC(=O)CCS(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC000218397746 208836792 /nfs/dbraw/zinc/83/67/92/208836792.db2.gz SEJPYEHWNGDUCB-UHFFFAOYSA-N -1 0 385.457 2.531 50 0 GFAARM Cc1ccccc1N1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)[C@H](C)C1 ZINC000077425258 136172012 /nfs/dbraw/zinc/17/20/12/136172012.db2.gz GBXKBTLRVZVTSA-QGZVFWFLSA-N -1 0 376.460 2.825 50 0 GFAARM C[C@@H]1CN(c2ccc(NC(=O)C[C@@]3(C(=O)[O-])CCSC3)cc2F)C[C@H](C)O1 ZINC000106866314 136201667 /nfs/dbraw/zinc/20/16/67/136201667.db2.gz IODVYTRKSYWVOX-QUJCMNEKSA-N -1 0 396.484 2.976 50 0 GFAARM COc1ccc(-c2noc(CCC(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000268950929 523282752 /nfs/dbraw/zinc/28/27/52/523282752.db2.gz TVNGXMRPJPMBQR-PVAVHDDUSA-N -1 0 399.447 2.922 50 0 GFAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000268947880 525231562 /nfs/dbraw/zinc/23/15/62/525231562.db2.gz HNGTUADNKKRLNZ-INIZCTEOSA-N -1 0 378.226 2.572 50 0 GFAARM COc1ccc([C@H](CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])NC(C)=O)cc1 ZINC000299749876 525343089 /nfs/dbraw/zinc/34/30/89/525343089.db2.gz LXWYRSMJLGIQBN-LULLPPNCSA-N -1 0 388.464 2.507 50 0 GFAARM NC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000262718150 526940670 /nfs/dbraw/zinc/94/06/70/526940670.db2.gz TVPOQCDASVAQIS-ZWKOTPCHSA-N -1 0 397.431 2.654 50 0 GFAARM CCCn1ncnc1[C@@H](C)NC(=O)c1cccc(-c2ccc(C(=O)[O-])cn2)c1 ZINC000426641491 528903255 /nfs/dbraw/zinc/90/32/55/528903255.db2.gz JCBWZBVEJRYLHW-CYBMUJFWSA-N -1 0 379.420 2.939 50 0 GFAARM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc21 ZINC000021756741 536766213 /nfs/dbraw/zinc/76/62/13/536766213.db2.gz MSDDYPRPFKGRFQ-UHFFFAOYSA-N -1 0 396.415 2.691 50 0 GFAARM NS(=O)(=O)c1ccc(CCn2c(=O)c3cc(Cl)ccc3[n-]c2=S)cc1 ZINC000003043415 551092311 /nfs/dbraw/zinc/09/23/11/551092311.db2.gz TVMWEYGODLSZLC-UHFFFAOYSA-N -1 0 395.893 2.603 50 0 GFAARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000012979691 551108315 /nfs/dbraw/zinc/10/83/15/551108315.db2.gz WGRNKAHZAJRYAD-UHFFFAOYSA-N -1 0 382.423 2.566 50 0 GFAARM O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)NC1CC1 ZINC000032778449 551131617 /nfs/dbraw/zinc/13/16/17/551131617.db2.gz CKYPZNXRGLMZHO-UHFFFAOYSA-N -1 0 377.278 2.983 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)[C@@H]1SCCc2ccccc21 ZINC000170645633 551636852 /nfs/dbraw/zinc/63/68/52/551636852.db2.gz KCLXCSXWKOVQDQ-OAHLLOKOSA-N -1 0 382.894 2.712 50 0 GFAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2[nH]nc(-c3ccccc3)c2C)s1 ZINC000225399781 553058865 /nfs/dbraw/zinc/05/88/65/553058865.db2.gz CSBOOTRQONTPDE-UHFFFAOYSA-N -1 0 377.451 2.601 50 0 GFAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)ccc2C)c(C(=O)OC)s1 ZINC000225534018 553059611 /nfs/dbraw/zinc/05/96/11/553059611.db2.gz CBGHHGMXCCOTNO-UHFFFAOYSA-N -1 0 387.410 2.570 50 0 GFAARM CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237019291 553073561 /nfs/dbraw/zinc/07/35/61/553073561.db2.gz ZDMILKFNYBDYTC-ZFWWWQNUSA-N -1 0 384.270 2.720 50 0 GFAARM O=C([O-])C[C@@H]1CN(C(=O)CCCCc2ccc(Br)cc2)CCO1 ZINC000238193319 553086719 /nfs/dbraw/zinc/08/67/19/553086719.db2.gz PLDSMIJSQJOJCW-OAHLLOKOSA-N -1 0 384.270 2.864 50 0 GFAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H](c2cccc(Br)c2)N2CCCC2)C1 ZINC000299742822 563390692 /nfs/dbraw/zinc/39/06/92/563390692.db2.gz KSNHMXBOGXHBJH-HIFRSBDPSA-N -1 0 381.270 2.519 50 0 GFAARM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000048355187 570243502 /nfs/dbraw/zinc/24/35/02/570243502.db2.gz JAMYKRJAHIBNFX-UHFFFAOYSA-N -1 0 386.832 2.795 50 0 GFAARM Cc1nc(-c2cccc(C(=O)NCCCc3cnn(C)c3)c2)c(Cl)c(=O)[n-]1 ZINC000584902490 570271720 /nfs/dbraw/zinc/27/17/20/570271720.db2.gz ZUZHYYYOYMTFKE-UHFFFAOYSA-N -1 0 385.855 2.907 50 0 GFAARM Cc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cnn1-c1ccccc1F ZINC000012924090 570295790 /nfs/dbraw/zinc/29/57/90/570295790.db2.gz KOGVMVVQTDJZMC-UHFFFAOYSA-N -1 0 397.435 2.890 50 0 GFAARM CC[C@H]1COCCN1C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237040961 570325402 /nfs/dbraw/zinc/32/54/02/570325402.db2.gz VZPVMZIALWPLGX-LBPRGKRZSA-N -1 0 397.353 2.840 50 0 GFAARM COc1ccc(Cl)cc1N1C[C@H](C(=O)NC2(C(=O)[O-])CCCCC2)CC1=O ZINC000071892827 570328773 /nfs/dbraw/zinc/32/87/73/570328773.db2.gz LWKQOYKQNAJTCN-GFCCVEGCSA-N -1 0 394.855 2.605 50 0 GFAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004017382 570354421 /nfs/dbraw/zinc/35/44/21/570354421.db2.gz AKFSMLYJKZHSPM-RNUBBMKBSA-N -1 0 375.424 2.988 50 0 GFAARM CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CC[C@@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000220036053 570380677 /nfs/dbraw/zinc/38/06/77/570380677.db2.gz CWVFJMDBKWZXKB-HXUWFJFHSA-N -1 0 389.427 2.559 50 0 GFAARM O=S1(=O)CC[C@H]([N-]C(=S)SCc2ccccc2Br)C1 ZINC000004531301 570382432 /nfs/dbraw/zinc/38/24/32/570382432.db2.gz UTLJHPMPJMKBNK-JTQLQIEISA-N -1 0 380.354 2.744 50 0 GFAARM Nc1c(C(=O)NCC(=O)[O-])sc2nc(-c3cccnc3)cc(C(F)(F)F)c12 ZINC000004709031 570396309 /nfs/dbraw/zinc/39/63/09/570396309.db2.gz RKDGTYCATQDYJX-UHFFFAOYSA-N -1 0 396.350 2.774 50 0 GFAARM O=C([O-])c1cc(NC(=O)CSc2nnnn2-c2ccccc2)ccc1Cl ZINC000004808819 570406600 /nfs/dbraw/zinc/40/66/00/570406600.db2.gz BNRGGXJOSRJRBU-UHFFFAOYSA-N -1 0 389.824 2.745 50 0 GFAARM O=C([O-])CCN(C(=O)c1csc(Cc2ccccc2F)n1)C1CCOCC1 ZINC000238080527 570423325 /nfs/dbraw/zinc/42/33/25/570423325.db2.gz FQKIXWQBBRACJN-UHFFFAOYSA-N -1 0 392.452 2.969 50 0 GFAARM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3C[C@@H](C)c4ccccc43)cc2)[n-]1 ZINC000130751427 570464627 /nfs/dbraw/zinc/46/46/27/570464627.db2.gz XCKZGKJSSDQJHY-CQSZACIVSA-N -1 0 391.427 2.645 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1C(=O)[O-] ZINC000268929046 570470774 /nfs/dbraw/zinc/47/07/74/570470774.db2.gz IHQBBFSQJQPLTC-LJQANCHMSA-N -1 0 384.432 2.998 50 0 GFAARM CCOc1cc(C(=O)N[C@@H]2C[C@@H](OCC)C23CCC3)ccc1OCC(=O)[O-] ZINC000268939135 570479077 /nfs/dbraw/zinc/47/90/77/570479077.db2.gz IRPYGNMPBMJQTN-IAGOWNOFSA-N -1 0 377.437 2.626 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000268944439 570489008 /nfs/dbraw/zinc/48/90/08/570489008.db2.gz MBEYIXSPAJKZCP-KURKYZTESA-N -1 0 379.412 2.599 50 0 GFAARM COc1cccc(CN2CCN(C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])CC2)c1 ZINC000006727039 570490813 /nfs/dbraw/zinc/49/08/13/570490813.db2.gz NMRKHYOCKIUMBD-PMACEKPBSA-N -1 0 386.492 2.787 50 0 GFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)cc2O)c1 ZINC000072301034 570505058 /nfs/dbraw/zinc/50/50/58/570505058.db2.gz IRVBFDKQLDNDLV-UHFFFAOYSA-N -1 0 388.239 2.973 50 0 GFAARM O=C(CSc1n[nH]c(-c2cccs2)n1)NC[C@@H]1COc2ccccc2O1 ZINC000005216289 570513123 /nfs/dbraw/zinc/51/31/23/570513123.db2.gz POFLONLIVORNRC-LLVKDONJSA-N -1 0 388.474 2.582 50 0 GFAARM CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855181 570557468 /nfs/dbraw/zinc/55/74/68/570557468.db2.gz ATHSJYPDFZRCHE-OAHLLOKOSA-N -1 0 376.457 2.744 50 0 GFAARM O=C(N[C@@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O)c1ccccc1F ZINC000005450994 570599087 /nfs/dbraw/zinc/59/90/87/570599087.db2.gz NKDHQJJDNJKLLH-MRXNPFEDSA-N -1 0 378.285 2.930 50 0 GFAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(=O)n12 ZINC000006823896 570623353 /nfs/dbraw/zinc/62/33/53/570623353.db2.gz VOJAKCZMIKAIHY-UHFFFAOYSA-N -1 0 387.845 2.966 50 0 GFAARM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000005525119 570624789 /nfs/dbraw/zinc/62/47/89/570624789.db2.gz FVUGRJYVDVXNIE-ZENOOKHLSA-N -1 0 399.756 2.839 50 0 GFAARM CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012381479 570649867 /nfs/dbraw/zinc/64/98/67/570649867.db2.gz VAXQFZQBVYUERE-UHFFFAOYSA-N -1 0 390.461 2.787 50 0 GFAARM CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)N(C)C)cc1 ZINC000013073226 570745623 /nfs/dbraw/zinc/74/56/23/570745623.db2.gz HTBILOFQKIBBNA-SFHVURJKSA-N -1 0 376.478 2.528 50 0 GFAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 ZINC000013122427 570747453 /nfs/dbraw/zinc/74/74/53/570747453.db2.gz WKNLRMNROLNHDJ-JKSUJKDBSA-N -1 0 387.440 2.935 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N(C)C ZINC000005844538 570796630 /nfs/dbraw/zinc/79/66/30/570796630.db2.gz WSSVZJMSFREXGR-UHFFFAOYSA-N -1 0 394.927 2.761 50 0 GFAARM C[C@]1(c2ccccc2)CN(C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)CCO1 ZINC000299746559 570824330 /nfs/dbraw/zinc/82/43/30/570824330.db2.gz YDNANEJNJNEFAP-JOCHJYFZSA-N -1 0 391.427 2.958 50 0 GFAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccnc3)C2)c(=O)[nH]c1=O ZINC000101767336 570831284 /nfs/dbraw/zinc/83/12/84/570831284.db2.gz AZMPBHPUEHQCDJ-OAHLLOKOSA-N -1 0 380.429 2.532 50 0 GFAARM O=C([O-])[C@@H](CNC(=O)c1cc(-c2ccccc2F)on1)Oc1ccc(F)cc1 ZINC000170592161 570851411 /nfs/dbraw/zinc/85/14/11/570851411.db2.gz SEWROIPSKKYCAX-QGZVFWFLSA-N -1 0 388.326 2.882 50 0 GFAARM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnco3)c2)C1(C)C ZINC000159041979 570881028 /nfs/dbraw/zinc/88/10/28/570881028.db2.gz TYZXZUYETJRMTI-GJZGRUSLSA-N -1 0 375.450 2.780 50 0 GFAARM CN(C(=O)c1ccccc1NC(=O)c1nccnc1C(=O)[O-])c1ccccc1 ZINC000071284119 570887436 /nfs/dbraw/zinc/88/74/36/570887436.db2.gz WXIBZCXRIICQHO-UHFFFAOYSA-N -1 0 376.372 2.704 50 0 GFAARM CC(C)n1nnc(-c2ccc(O)c(NC(=O)Cc3ccccc3C(=O)[O-])c2)n1 ZINC000071288786 570889364 /nfs/dbraw/zinc/88/93/64/570889364.db2.gz PNIFHEUNBDMQIY-UHFFFAOYSA-N -1 0 381.392 2.506 50 0 GFAARM CCN(CC)C(=O)N1CCc2nc3cc(-c4ccc(OC)cc4)[n-]n3c(=O)c2C1 ZINC000097096795 570891905 /nfs/dbraw/zinc/89/19/05/570891905.db2.gz UXMFIWHQGOBESZ-UHFFFAOYSA-N -1 0 395.463 2.518 50 0 GFAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237798064 570944389 /nfs/dbraw/zinc/94/43/89/570944389.db2.gz DOYZKKKOCQPZMT-UHFFFAOYSA-N -1 0 392.459 2.913 50 0 GFAARM COc1ccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)cc1OC ZINC000001322998 570958875 /nfs/dbraw/zinc/95/88/75/570958875.db2.gz BQBVMHJTQHXQKG-UHFFFAOYSA-N -1 0 394.427 2.601 50 0 GFAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1 ZINC000002139834 570963010 /nfs/dbraw/zinc/96/30/10/570963010.db2.gz ULFMGLSCYHXDAN-GOSISDBHSA-N -1 0 382.416 2.802 50 0 GFAARM Cc1cccc(C(=O)Nc2ccc(N(C)C[C@@H]3COCCO3)c(C(=O)[O-])c2)c1 ZINC000046053542 571015020 /nfs/dbraw/zinc/01/50/20/571015020.db2.gz LWTOENSJVXDVCB-QGZVFWFLSA-N -1 0 384.432 2.797 50 0 GFAARM Cc1nc(/C=C\C(=O)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cs1 ZINC000606442277 677674357 /nfs/dbraw/zinc/67/43/57/677674357.db2.gz KVPMXAQQNLIKNL-TYRPZCRBSA-N -1 0 398.893 2.947 50 0 GFAARM O=C([O-])c1cc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1NCc1cccnc1 ZINC000004954492 206259822 /nfs/dbraw/zinc/25/98/22/206259822.db2.gz PMIVVJRCJYEVKM-HZPDHXFCSA-N -1 0 377.400 2.848 50 0 GFAARM O=S(=O)([N-]C[C@@](O)(c1ccoc1)c1cccs1)c1c(F)cccc1F ZINC000253471988 206282689 /nfs/dbraw/zinc/28/26/89/206282689.db2.gz HICFRKOWXMQBOL-MRXNPFEDSA-N -1 0 385.413 2.834 50 0 GFAARM O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001029180 206343449 /nfs/dbraw/zinc/34/34/49/206343449.db2.gz DAEVWYPVHMOFIX-RYUDHWBXSA-N -1 0 379.869 2.709 50 0 GFAARM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)[O-] ZINC000002094536 206398574 /nfs/dbraw/zinc/39/85/74/206398574.db2.gz CTDJCYDSJKIMLD-BLLLJJGKSA-N -1 0 375.421 2.882 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004794507 206555319 /nfs/dbraw/zinc/55/53/19/206555319.db2.gz VFBACQGDAHTASH-UAGQMJEPSA-N -1 0 378.469 2.943 50 0 GFAARM CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCCC(=O)[O-] ZINC000005244621 206601669 /nfs/dbraw/zinc/60/16/69/206601669.db2.gz ALKHTENWSVKLCY-AWEZNQCLSA-N -1 0 393.871 2.567 50 0 GFAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000012526424 206906832 /nfs/dbraw/zinc/90/68/32/206906832.db2.gz MGPDXFKBRIOGHG-HNNXBMFYSA-N -1 0 392.452 2.844 50 0 GFAARM O=C(c1cnc2ncnn2c1)c1cc(Cl)cc(CSc2ncccn2)c1[O-] ZINC000014169888 207012589 /nfs/dbraw/zinc/01/25/89/207012589.db2.gz PCJXBIKTGMOXMC-UHFFFAOYSA-N -1 0 398.835 2.797 50 0 GFAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)N2CCCCCC2)cc1 ZINC000017080006 207083985 /nfs/dbraw/zinc/08/39/85/207083985.db2.gz CLNPZJPRBZRSNI-UHFFFAOYSA-N -1 0 391.522 2.850 50 0 GFAARM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000017316575 207090073 /nfs/dbraw/zinc/09/00/73/207090073.db2.gz QQHYANIQCUYLCS-UHFFFAOYSA-N -1 0 398.481 2.729 50 0 GFAARM CC(=O)Nc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000017208553 207087422 /nfs/dbraw/zinc/08/74/22/207087422.db2.gz GTVCZHIXJIGDNH-SFQUDFHCSA-N -1 0 378.388 2.614 50 0 GFAARM CC(C)c1ccc(C(=O)N2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)c(=O)n1C ZINC000072435504 208024464 /nfs/dbraw/zinc/02/44/64/208024464.db2.gz KJTFJNKDNLEISH-INIZCTEOSA-N -1 0 382.460 2.912 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3cc[nH]n3)s2)cc(OC)c1OC ZINC000085664834 208101572 /nfs/dbraw/zinc/10/15/72/208101572.db2.gz QLBSBLCSKYDUFY-UHFFFAOYSA-N -1 0 395.462 2.965 50 0 GFAARM NC(=O)[C@H]1CCCN1[C@@H](C(=O)[O-])c1c[nH]c2ccc(OCc3ccccc3)cc21 ZINC000080350414 208077264 /nfs/dbraw/zinc/07/72/64/208077264.db2.gz QPDFYGBRIGZVIP-WOJBJXKFSA-N -1 0 393.443 2.822 50 0 GFAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)cc1 ZINC000095359263 208159584 /nfs/dbraw/zinc/15/95/84/208159584.db2.gz IEYZPPXSSUHISF-KRWDZBQOSA-N -1 0 378.432 2.926 50 0 GFAARM O=C(c1snc2c1nc([O-])n(Cc1ccccc1)c2=O)N1CCCCCC1 ZINC000096396740 208314479 /nfs/dbraw/zinc/31/44/79/208314479.db2.gz QAECOMUYEMNRPY-UHFFFAOYSA-N -1 0 384.461 2.623 50 0 GFAARM O=C([O-])CC1(NC(=O)CSCc2coc(-c3ccccc3)n2)CCOCC1 ZINC000097018169 208332926 /nfs/dbraw/zinc/33/29/26/208332926.db2.gz ZSOPXSNZZLPACZ-UHFFFAOYSA-N -1 0 390.461 2.715 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3c(C)cccc3C)c(=O)c1=2 ZINC000100036890 208372345 /nfs/dbraw/zinc/37/23/45/208372345.db2.gz XYMLIGXWGQOEGG-IEBWSBKVSA-N -1 0 391.431 2.544 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000101260680 208390389 /nfs/dbraw/zinc/39/03/89/208390389.db2.gz AKVYBWSAHWGHLN-HZPDHXFCSA-N -1 0 386.795 2.855 50 0 GFAARM COCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101282199 208390464 /nfs/dbraw/zinc/39/04/64/208390464.db2.gz GEGVCVKGZXHUHW-UHFFFAOYSA-N -1 0 396.834 2.848 50 0 GFAARM Cc1c(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cnn1-c1ccccc1Cl ZINC000237730883 208468397 /nfs/dbraw/zinc/46/83/97/208468397.db2.gz BWDCGLRUEMSMBO-AWEZNQCLSA-N -1 0 391.855 2.930 50 0 GFAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000238148551 208471648 /nfs/dbraw/zinc/47/16/48/208471648.db2.gz JGOUZFDTVSTMBP-AWEZNQCLSA-N -1 0 388.370 2.894 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000005153591 208664923 /nfs/dbraw/zinc/66/49/23/208664923.db2.gz SCWUEAOBEBJHOC-UHFFFAOYSA-N -1 0 392.864 2.985 50 0 GFAARM O=C([O-])CC[C@]1(CCC(=O)NCc2cccc(Cl)c2Cl)CCC(=O)N1 ZINC000223823380 208911348 /nfs/dbraw/zinc/91/13/48/208911348.db2.gz PGSLWFIQBHYTQS-KRWDZBQOSA-N -1 0 387.263 2.903 50 0 GFAARM C[C@@H]1CN(c2ccc(NC(=O)C[C@]3(C(=O)[O-])CCSC3)cc2F)C[C@@H](C)O1 ZINC000071846849 136166844 /nfs/dbraw/zinc/16/68/44/136166844.db2.gz IODVYTRKSYWVOX-VLXJIEOASA-N -1 0 396.484 2.976 50 0 GFAARM CN(Cc1ccccc1)C(=O)c1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013692012 551109740 /nfs/dbraw/zinc/10/97/40/551109740.db2.gz BAIXVKPHQMOZST-UHFFFAOYSA-N -1 0 375.475 2.940 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1F)[C@H]1SCCc2ccccc21 ZINC000121426821 551234401 /nfs/dbraw/zinc/23/44/01/551234401.db2.gz OHPUYYWJUPUTPA-INIZCTEOSA-N -1 0 383.441 2.941 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1F)[C@@H]1SCCc2ccccc21 ZINC000121426983 551234564 /nfs/dbraw/zinc/23/45/64/551234564.db2.gz OHPUYYWJUPUTPA-MRXNPFEDSA-N -1 0 383.441 2.941 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000238080436 553085864 /nfs/dbraw/zinc/08/58/64/553085864.db2.gz ZWBMTTZYPZKESY-NSHDSACASA-N -1 0 378.226 2.572 50 0 GFAARM Cc1nc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)sc1Br ZINC000374450578 563372428 /nfs/dbraw/zinc/37/24/28/563372428.db2.gz GSDSKORJMHDGAS-JTQLQIEISA-N -1 0 395.344 2.842 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000299752932 563390717 /nfs/dbraw/zinc/39/07/17/563390717.db2.gz WAUGDAWTEPVNME-NWDGAFQWSA-N -1 0 381.215 2.863 50 0 GFAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NC4CC4)c3=O)c2c1 ZINC000004951529 570380773 /nfs/dbraw/zinc/38/07/73/570380773.db2.gz CHNLJJFWLSSKKA-UHFFFAOYSA-N -1 0 386.477 2.998 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N3CC[C@]4(CCOC4)C3)cc2)c(C)c1CCC(=O)[O-] ZINC000237730944 570391858 /nfs/dbraw/zinc/39/18/58/570391858.db2.gz CKQBVWCMSXWCMR-QFIPXVFZSA-N -1 0 397.475 2.759 50 0 GFAARM C[C@@H]1Oc2ccccc2N(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)C1=O ZINC000268899938 570451532 /nfs/dbraw/zinc/45/15/32/570451532.db2.gz SGOIQINCQRITGG-GOEBONIOSA-N -1 0 382.416 2.523 50 0 GFAARM COc1ccc(NC(=O)[C@@H]2CCCO2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006623295 570506937 /nfs/dbraw/zinc/50/69/37/570506937.db2.gz UFANQGSQIXKWET-KRWDZBQOSA-N -1 0 394.424 2.753 50 0 GFAARM CCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3OCC)ccc21 ZINC000064861472 570568293 /nfs/dbraw/zinc/56/82/93/570568293.db2.gz GBMJDWOOCNGLKP-UHFFFAOYSA-N -1 0 389.477 2.978 50 0 GFAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c(=O)n12 ZINC000006823622 570624879 /nfs/dbraw/zinc/62/48/79/570624879.db2.gz PCIQICUCFSHXAI-UHFFFAOYSA-N -1 0 387.845 2.966 50 0 GFAARM COc1cccc(-c2nc(CC(=O)N3CCC(C(=O)[O-])CC3)cs2)c1OC ZINC000036359874 570642823 /nfs/dbraw/zinc/64/28/23/570642823.db2.gz SVTXKYRDUPRYAO-UHFFFAOYSA-N -1 0 390.461 2.693 50 0 GFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1ccc2c(c1)CCCC2 ZINC000005573653 570656644 /nfs/dbraw/zinc/65/66/44/570656644.db2.gz MWJYBEWTENSFNI-UHFFFAOYSA-N -1 0 387.457 2.977 50 0 GFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NC1CCCCC1)c2=O ZINC000012415866 570669991 /nfs/dbraw/zinc/66/99/91/570669991.db2.gz DGPDMPZZXIFYRY-UHFFFAOYSA-N -1 0 389.477 2.685 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000262424819 570671832 /nfs/dbraw/zinc/67/18/32/570671832.db2.gz QXLMQWGUWWIXKB-UVBJJODRSA-N -1 0 391.855 2.728 50 0 GFAARM CN(Cc1ccccc1)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000685940795 570675028 /nfs/dbraw/zinc/67/50/28/570675028.db2.gz VKAOLJBAUUHGMK-MRXNPFEDSA-N -1 0 393.484 2.976 50 0 GFAARM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000013182459 570749869 /nfs/dbraw/zinc/74/98/69/570749869.db2.gz KKLAQJXGJKFKFJ-HNNXBMFYSA-N -1 0 389.404 2.667 50 0 GFAARM CCn1nc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c2ccccc2c1=O ZINC000013177009 570749923 /nfs/dbraw/zinc/74/99/23/570749923.db2.gz MAFISODNSFHOLZ-MRXNPFEDSA-N -1 0 383.379 2.501 50 0 GFAARM CC[C@H](SC1=NC(=O)C(CC)C([O-])=N1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000013565069 570758754 /nfs/dbraw/zinc/75/87/54/570758754.db2.gz NAQMBGJIKOMESA-AWEZNQCLSA-N -1 0 375.450 2.750 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(F)cc4Cl)c=3c2=O)cc1 ZINC000004483420 570804696 /nfs/dbraw/zinc/80/46/96/570804696.db2.gz PRSJIFVAKDZPGC-HZPDHXFCSA-N -1 0 388.786 2.981 50 0 GFAARM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)c2ccccc2)c(C(=O)OC)c1C ZINC000007307986 570828388 /nfs/dbraw/zinc/82/83/88/570828388.db2.gz ABUXWNBASREKHP-LLVKDONJSA-N -1 0 397.474 2.669 50 0 GFAARM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000012526185 570830849 /nfs/dbraw/zinc/83/08/49/570830849.db2.gz QEGANXMETBLASQ-UHFFFAOYSA-N -1 0 378.834 2.651 50 0 GFAARM COc1ccc2nc([N-][C@@]3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1 ZINC000004690193 570835444 /nfs/dbraw/zinc/83/54/44/570835444.db2.gz XIQUIOJDKKCLSH-CYBMUJFWSA-N -1 0 388.396 2.920 50 0 GFAARM COc1ccc(F)c(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000071775934 570853422 /nfs/dbraw/zinc/85/34/22/570853422.db2.gz IYQBHBAFRORKLM-UHFFFAOYSA-N -1 0 379.409 2.984 50 0 GFAARM Cc1cccc(C(=O)Nc2ccc(OCc3cc(=O)n4nc[n-]c4n3)cc2)c1 ZINC000102621555 570854477 /nfs/dbraw/zinc/85/44/77/570854477.db2.gz JUQQIXYMQKXXPT-UHFFFAOYSA-N -1 0 375.388 2.557 50 0 GFAARM Cn1cnc2cc(C(=O)N3CCC(Cc4cccc(C(=O)[O-])c4)CC3)cnc21 ZINC000072125342 570867469 /nfs/dbraw/zinc/86/74/69/570867469.db2.gz WFVFGAZHBNGKKA-UHFFFAOYSA-N -1 0 378.432 2.761 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1 ZINC000071288687 570889260 /nfs/dbraw/zinc/88/92/60/570889260.db2.gz MJLRIFZRTSPKQX-ROUUACIJSA-N -1 0 382.416 2.999 50 0 GFAARM CSCC[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000016956688 570919100 /nfs/dbraw/zinc/91/91/00/570919100.db2.gz JQOCZYXSNHPMAR-SOGDLCAJSA-N -1 0 398.484 2.780 50 0 GFAARM CCOc1ncc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c(OCC)n1 ZINC000207982071 570923256 /nfs/dbraw/zinc/92/32/56/570923256.db2.gz XEEYCANNYIYXNH-UHFFFAOYSA-N -1 0 381.454 2.700 50 0 GFAARM O=C(COC(=O)[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000004734948 570949043 /nfs/dbraw/zinc/94/90/43/570949043.db2.gz JFCKGZRLAHWGKJ-HNNXBMFYSA-N -1 0 379.334 2.702 50 0 GFAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)cc1COc1ccccc1F ZINC000002110278 570950320 /nfs/dbraw/zinc/95/03/20/570950320.db2.gz DSBIRTBUTMGDJM-VQIMIIECSA-N -1 0 397.406 2.825 50 0 GFAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCCC(=O)[O-] ZINC000002124414 570958055 /nfs/dbraw/zinc/95/80/55/570958055.db2.gz HOBOFBGGTHPEDQ-ZDUSSCGKSA-N -1 0 381.384 2.818 50 0 GFAARM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002150758 570972691 /nfs/dbraw/zinc/97/26/91/570972691.db2.gz SVCBOTIKJUIHHB-DOMZBBRYSA-N -1 0 375.421 2.801 50 0 GFAARM Cc1c(O)ccc2c(C)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc12 ZINC000002152504 570972953 /nfs/dbraw/zinc/97/29/53/570972953.db2.gz XZPIZMLYRLBCTP-HNNXBMFYSA-N -1 0 375.421 2.664 50 0 GFAARM CCC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002157840 570973907 /nfs/dbraw/zinc/97/39/07/570973907.db2.gz BTCASKWFHPAYAI-DOMZBBRYSA-N -1 0 387.432 2.727 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)c(OC)c1 ZINC000045961538 571006115 /nfs/dbraw/zinc/00/61/15/571006115.db2.gz MQWWHRZPVJQVOB-UHFFFAOYSA-N -1 0 396.490 2.802 50 0 GFAARM O=C([O-])/C(=C\c1cccc(O)c1)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000006599990 654456935 /nfs/dbraw/zinc/45/69/35/654456935.db2.gz POWYMXHTGGXDJK-KAMYIIQDSA-N -1 0 379.459 2.863 50 0 GFAARM Cc1nn(C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(C)c1Br ZINC000725346583 655525867 /nfs/dbraw/zinc/52/58/67/655525867.db2.gz IVLZGEYCQQKATP-CYBMUJFWSA-N -1 0 396.241 2.642 50 0 GFAARM Cc1nn(C)c(Sc2ccccn2)c1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000888095849 663178119 /nfs/dbraw/zinc/17/81/19/663178119.db2.gz COWLKPVRKLNTFP-CYBMUJFWSA-N -1 0 382.511 2.586 50 0 GFAARM CS(=O)(=O)[N-]c1nc2cc(NC(=O)NCc3ccccc3)ccc2s1 ZINC000021357490 531585891 /nfs/dbraw/zinc/58/58/91/531585891.db2.gz DEEGSMBPYZOKIP-UHFFFAOYSA-N -1 0 376.463 2.990 50 0 GFAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1n[nH]c3ccccc31)CC2 ZINC000294163188 209135929 /nfs/dbraw/zinc/13/59/29/209135929.db2.gz BIKHDLKTKVMQST-INIZCTEOSA-N -1 0 395.415 2.794 50 0 GFAARM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000000800969 206322383 /nfs/dbraw/zinc/32/23/83/206322383.db2.gz SPWIBJRSSWYSHT-UHFFFAOYSA-N -1 0 398.444 2.603 50 0 GFAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(C)cc(C)c2)cc1OC ZINC000000840731 206326443 /nfs/dbraw/zinc/32/64/43/206326443.db2.gz QGBAWDFTIWYFIP-UHFFFAOYSA-N -1 0 379.434 2.601 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)no1 ZINC000001044768 206346167 /nfs/dbraw/zinc/34/61/67/206346167.db2.gz AGUBCILTCYIYFT-UHFFFAOYSA-N -1 0 393.446 2.585 50 0 GFAARM CCN1CCOc2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2C1=O ZINC000009828211 206371545 /nfs/dbraw/zinc/37/15/45/206371545.db2.gz FMWMUBYGOVJGAR-UHFFFAOYSA-N -1 0 390.461 2.659 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCc3ccco3)cs2)cc1 ZINC000009828573 206371570 /nfs/dbraw/zinc/37/15/70/206371570.db2.gz IFVLGUNCIIHSNG-UHFFFAOYSA-N -1 0 391.474 2.704 50 0 GFAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002091674 206398921 /nfs/dbraw/zinc/39/89/21/206398921.db2.gz LGGQZCNWICHIPE-SJCJKPOMSA-N -1 0 375.421 2.657 50 0 GFAARM COc1ccc2c(C)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc2c1 ZINC000002106377 206399491 /nfs/dbraw/zinc/39/94/91/206399491.db2.gz YXMJGNXPILDVJZ-IBGZPJMESA-N -1 0 381.384 2.595 50 0 GFAARM O=C([O-])CCCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl ZINC000002982107 206451395 /nfs/dbraw/zinc/45/13/95/206451395.db2.gz BNRYRSDHLOTUQX-RVDMUPIBSA-N -1 0 376.796 2.685 50 0 GFAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC000004949767 206576483 /nfs/dbraw/zinc/57/64/83/206576483.db2.gz IADYTLQDIZSGQB-ROUUACIJSA-N -1 0 386.448 2.545 50 0 GFAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000014163128 207011834 /nfs/dbraw/zinc/01/18/34/207011834.db2.gz UNICFYRRXQZRPD-UHFFFAOYSA-N -1 0 397.406 2.591 50 0 GFAARM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000015781453 207060925 /nfs/dbraw/zinc/06/09/25/207060925.db2.gz PUEWSTWYNODVBY-UHFFFAOYSA-N -1 0 386.520 2.651 50 0 GFAARM CCc1c(C)sc(NC(=O)COCC(=O)[O-])c1C(=O)NC1CCCCC1 ZINC000017078097 207082927 /nfs/dbraw/zinc/08/29/27/207082927.db2.gz DHWNDVGJKZWVLV-UHFFFAOYSA-N -1 0 382.482 2.721 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)c(OC)c1 ZINC000021028438 207224676 /nfs/dbraw/zinc/22/46/76/207224676.db2.gz LIIPHCLGHXQILO-UHFFFAOYSA-N -1 0 396.490 2.802 50 0 GFAARM O=S(=O)([N-]c1cccc(-c2nnc3n2CCC3)c1)c1ccc(F)cc1F ZINC000022959682 207267548 /nfs/dbraw/zinc/26/75/48/207267548.db2.gz RNRVSJXGCOZLTG-UHFFFAOYSA-N -1 0 376.388 2.970 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000026527331 207315029 /nfs/dbraw/zinc/31/50/29/207315029.db2.gz SDJNDPPOFXUHGN-UHFFFAOYSA-N -1 0 375.855 2.553 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1F ZINC000032498066 207397202 /nfs/dbraw/zinc/39/72/02/207397202.db2.gz HISFUNCVTNUHGP-UHFFFAOYSA-N -1 0 378.425 2.871 50 0 GFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 ZINC000071285361 207935535 /nfs/dbraw/zinc/93/55/35/207935535.db2.gz UAEZIAPMEXQAKZ-IAGOWNOFSA-N -1 0 379.416 2.580 50 0 GFAARM CC(C)c1ccc(C(=O)N2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)c(=O)n1C ZINC000072435502 208024278 /nfs/dbraw/zinc/02/42/78/208024278.db2.gz KJTFJNKDNLEISH-MRXNPFEDSA-N -1 0 382.460 2.912 50 0 GFAARM O=C([O-])c1ccccc1-c1cn(Cc2ccc(C(=O)N3CCCC3)cc2)nn1 ZINC000095369962 208167770 /nfs/dbraw/zinc/16/77/70/208167770.db2.gz YYGZHXDCNIFUMY-UHFFFAOYSA-N -1 0 376.416 2.928 50 0 GFAARM COC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000135068560 208151443 /nfs/dbraw/zinc/15/14/43/208151443.db2.gz RULINAWEYRMHHQ-GOSISDBHSA-N -1 0 383.400 2.932 50 0 GFAARM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)c1 ZINC000095464508 208189567 /nfs/dbraw/zinc/18/95/67/208189567.db2.gz SDNYWDUZZITJHI-IBGZPJMESA-N -1 0 380.444 2.738 50 0 GFAARM CSCCc1nc([C@H](NC(C)=O)C(C)C)n(-c2ccccc2C(=O)[O-])n1 ZINC000095504890 208205155 /nfs/dbraw/zinc/20/51/55/208205155.db2.gz FNVSPDKQDQNLDB-MRXNPFEDSA-N -1 0 376.482 2.704 50 0 GFAARM O=C([O-])C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000095949151 208242149 /nfs/dbraw/zinc/24/21/49/208242149.db2.gz UVKJEEAOADNIFQ-AWEZNQCLSA-N -1 0 386.389 2.788 50 0 GFAARM CC(C)(CNC(=O)C1(c2cccc(Br)c2)CCOCC1)C(=O)[O-] ZINC000095970751 208249295 /nfs/dbraw/zinc/24/92/95/208249295.db2.gz LPKWXAFYASSLMX-UHFFFAOYSA-N -1 0 384.270 2.724 50 0 GFAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1 ZINC000095992043 208251931 /nfs/dbraw/zinc/25/19/31/208251931.db2.gz TYDLWZIZEBZHBN-RDJZCZTQSA-N -1 0 390.455 2.781 50 0 GFAARM COc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)c(F)c1 ZINC000096361072 208310047 /nfs/dbraw/zinc/31/00/47/208310047.db2.gz OBFCNBWPXANQDK-UHFFFAOYSA-N -1 0 390.396 2.611 50 0 GFAARM O=C(/C=C\c1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000098054812 208368275 /nfs/dbraw/zinc/36/82/75/208368275.db2.gz ILRORPMNEQDQGA-DAXSKMNVSA-N -1 0 379.821 2.630 50 0 GFAARM CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3)c(O)c12 ZINC000100224950 208374778 /nfs/dbraw/zinc/37/47/78/208374778.db2.gz ZCPNQXMNRGZWCC-WBVHZDCISA-N -1 0 397.818 2.637 50 0 GFAARM O=S(=O)(Cc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000041115521 208390051 /nfs/dbraw/zinc/39/00/51/208390051.db2.gz PEHMZZBRBWOPED-UHFFFAOYSA-N -1 0 398.481 2.552 50 0 GFAARM COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4c(C)cccc4C)C(O)=C23)c1 ZINC000101310628 208390776 /nfs/dbraw/zinc/39/07/76/208390776.db2.gz XCKAHEWRQDQYRC-APWZRJJASA-N -1 0 380.400 2.613 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1 ZINC000101262584 208390867 /nfs/dbraw/zinc/39/08/67/208390867.db2.gz SPRBHJYLYALAMD-OALUTQOASA-N -1 0 392.415 2.690 50 0 GFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1 ZINC000101352903 208391439 /nfs/dbraw/zinc/39/14/39/208391439.db2.gz YFCBCBBFPDTAFR-OALUTQOASA-N -1 0 391.431 2.544 50 0 GFAARM CC(=O)c1cccc(NC(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC000101616529 208395172 /nfs/dbraw/zinc/39/51/72/208395172.db2.gz IXTJRWAJMXIYNR-UHFFFAOYSA-N -1 0 387.461 2.997 50 0 GFAARM CCCC[C@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)[O-] ZINC000002122665 208503242 /nfs/dbraw/zinc/50/32/42/208503242.db2.gz JMXPRJWOPQRDJO-AWEZNQCLSA-N -1 0 375.421 2.721 50 0 GFAARM CC[C@@H](C)[C@@H](NC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)[O-] ZINC000016042733 208796520 /nfs/dbraw/zinc/79/65/20/208796520.db2.gz GQEDXGPXHWISOL-ADLMAVQZSA-N -1 0 375.421 2.713 50 0 GFAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)n(C)c(=O)n2C ZINC000064976648 209001677 /nfs/dbraw/zinc/00/16/77/209001677.db2.gz PAMIKLZNPNFVFG-UHFFFAOYSA-N -1 0 383.832 2.779 50 0 GFAARM O=C(N=c1cc(-c2ccccc2)[nH]n1[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000334158350 209095346 /nfs/dbraw/zinc/09/53/46/209095346.db2.gz INIPDONOVXROOX-QGZVFWFLSA-N -1 0 381.457 2.584 50 0 GFAARM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1C ZINC000239367146 209018881 /nfs/dbraw/zinc/01/88/81/209018881.db2.gz AHSFSANFGDPLAL-UHFFFAOYSA-N -1 0 383.267 2.966 50 0 GFAARM O=C1CCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)cc3c2N1CCC3 ZINC000005154084 136194549 /nfs/dbraw/zinc/19/45/49/136194549.db2.gz QRBFNSXTGNIREL-UHFFFAOYSA-N -1 0 378.400 2.991 50 0 GFAARM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000237734340 524429622 /nfs/dbraw/zinc/42/96/22/524429622.db2.gz MMTHMLLIMQQASP-PMACEKPBSA-N -1 0 394.471 2.546 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)cc1Cl ZINC000003334895 551092977 /nfs/dbraw/zinc/09/29/77/551092977.db2.gz BEZXRBYHBINLLW-UHFFFAOYSA-N -1 0 385.825 2.929 50 0 GFAARM CCC(=O)N[C@@]([N-]c1nc2ccc(F)cc2s1)(C(=O)OC)C(F)(F)F ZINC000009319952 551103501 /nfs/dbraw/zinc/10/35/01/551103501.db2.gz SGLTVTDKXOXIPA-CYBMUJFWSA-N -1 0 379.335 2.805 50 0 GFAARM O=C(CCC1=Nc2ccccc2S(=O)(=O)[N-]1)NCc1ccccc1Cl ZINC000033250002 551133748 /nfs/dbraw/zinc/13/37/48/551133748.db2.gz JVVYGRHVJNPJTO-UHFFFAOYSA-N -1 0 377.853 2.759 50 0 GFAARM COCc1nc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cs1 ZINC000065042136 551185191 /nfs/dbraw/zinc/18/51/91/551185191.db2.gz RUBMJZBUKSPYPX-UHFFFAOYSA-N -1 0 381.262 2.715 50 0 GFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000237642023 553079974 /nfs/dbraw/zinc/07/99/74/553079974.db2.gz IUQQJEQKZLGVMC-QGZVFWFLSA-N -1 0 396.281 2.821 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cccs1 ZINC000299742027 563390667 /nfs/dbraw/zinc/39/06/67/563390667.db2.gz ARZAVMYCRNZMNR-RISCZKNCSA-N -1 0 376.459 2.883 50 0 GFAARM COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)n1 ZINC000509204213 564287251 /nfs/dbraw/zinc/28/72/51/564287251.db2.gz VILWXNFOZRANEV-UHFFFAOYSA-N -1 0 377.344 2.622 50 0 GFAARM Cc1cccc(C(=O)N2C[C@H](C(=O)Nc3ccc(C)nc3)C[C@H](C(=O)[O-])C2)c1 ZINC000072141701 570255611 /nfs/dbraw/zinc/25/56/11/570255611.db2.gz YMYLSYUDZYLQCX-SJORKVTESA-N -1 0 381.432 2.500 50 0 GFAARM CC(=O)N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000236690167 570256337 /nfs/dbraw/zinc/25/63/37/570256337.db2.gz YLPJKYNZZUJIBR-PMACEKPBSA-N -1 0 380.444 2.600 50 0 GFAARM COc1ccc(NC(=O)c2c([O-])c3cnn(Cc4ccccc4)c3[nH]c2=O)cc1 ZINC000049411800 570266758 /nfs/dbraw/zinc/26/67/58/570266758.db2.gz LIRUDGNQFURRBL-UHFFFAOYSA-N -1 0 390.399 2.739 50 0 GFAARM COC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002572681 570291307 /nfs/dbraw/zinc/29/13/07/570291307.db2.gz RULINAWEYRMHHQ-SFHVURJKSA-N -1 0 383.400 2.932 50 0 GFAARM COc1cccc(-c2nc(CC(=O)N[C@@H](CCSC)C(=O)[O-])cs2)c1 ZINC000012296590 570293828 /nfs/dbraw/zinc/29/38/28/570293828.db2.gz PWAUOPODHVXJHW-AWEZNQCLSA-N -1 0 380.491 2.684 50 0 GFAARM O=C([N-]O[C@H]1CCCCO1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000072059956 570294259 /nfs/dbraw/zinc/29/42/59/570294259.db2.gz XYKPFIQBXBGFNG-CABCVRRESA-N -1 0 397.269 2.628 50 0 GFAARM COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000002999560 570325483 /nfs/dbraw/zinc/32/54/83/570325483.db2.gz CKSSKKOBJMOSRS-CWDSQJGSSA-N -1 0 396.443 2.692 50 0 GFAARM CCOc1cccc(-c2nnc(CCC(=O)NCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034764751 570333208 /nfs/dbraw/zinc/33/32/08/570333208.db2.gz APSPFDGBDQHMRG-UHFFFAOYSA-N -1 0 392.459 2.934 50 0 GFAARM CCOc1ccc(-c2nnc(CCC(=O)NCCC(C)C)c(=O)[n-]2)cc1OC ZINC000034766337 570333492 /nfs/dbraw/zinc/33/34/92/570333492.db2.gz XAOYVLAKAYHGLY-UHFFFAOYSA-N -1 0 388.468 2.746 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1OC1CCC1 ZINC000118600226 570375262 /nfs/dbraw/zinc/37/52/62/570375262.db2.gz CHNCIYIJBYYSSO-UHFFFAOYSA-N -1 0 380.853 2.926 50 0 GFAARM O=C(N[C@@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O)c1ccc(F)cc1 ZINC000005209830 570507352 /nfs/dbraw/zinc/50/73/52/570507352.db2.gz SWVCBANSVLAMOZ-MRXNPFEDSA-N -1 0 378.285 2.930 50 0 GFAARM CCN(CC)S(=O)(=O)c1ccc2nc(C(F)(F)F)n(CCC(=O)[O-])c2c1 ZINC000032918673 570515763 /nfs/dbraw/zinc/51/57/63/570515763.db2.gz LOQBVZJSDDLBRU-UHFFFAOYSA-N -1 0 393.387 2.560 50 0 GFAARM COCCn1c(=O)c2ccc(C(=O)NCc3ccc(C)cc3)cc2[n-]c1=S ZINC000003043605 570530943 /nfs/dbraw/zinc/53/09/43/570530943.db2.gz XDNKFDWCUKXGIX-UHFFFAOYSA-N -1 0 383.473 2.944 50 0 GFAARM COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000008473683 570532427 /nfs/dbraw/zinc/53/24/27/570532427.db2.gz CYHNIYRVRREXMH-UHFFFAOYSA-N -1 0 385.372 2.538 50 0 GFAARM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855222 570557969 /nfs/dbraw/zinc/55/79/69/570557969.db2.gz GFMMMTRHVPSSLF-HNNXBMFYSA-N -1 0 394.447 2.883 50 0 GFAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c2ccccc12 ZINC000225394328 570569509 /nfs/dbraw/zinc/56/95/09/570569509.db2.gz FYDWCGKBGKISSG-UHFFFAOYSA-N -1 0 382.445 2.969 50 0 GFAARM COc1ccc(Nc2nc(NCC(=O)[O-])nc(Nc3ccc(OC)cc3)n2)cc1 ZINC000007498215 570603719 /nfs/dbraw/zinc/60/37/19/570603719.db2.gz BNUKVARTGAYZIC-UHFFFAOYSA-N -1 0 396.407 2.873 50 0 GFAARM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000036357813 570638420 /nfs/dbraw/zinc/63/84/20/570638420.db2.gz MNRWYFOFRIKXGN-SJCJKPOMSA-N -1 0 387.436 2.685 50 0 GFAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000013566042 570656738 /nfs/dbraw/zinc/65/67/38/570656738.db2.gz RALIYEXRIILUPE-UHFFFAOYSA-N -1 0 395.868 2.648 50 0 GFAARM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000032585457 570675816 /nfs/dbraw/zinc/67/58/16/570675816.db2.gz QYPYQXNKYQPTIO-UHFFFAOYSA-N -1 0 386.223 2.713 50 0 GFAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000006887604 570682162 /nfs/dbraw/zinc/68/21/62/570682162.db2.gz VAFGXGZKMCJJIK-UHFFFAOYSA-N -1 0 396.465 2.637 50 0 GFAARM CCSc1nnc(-c2ccccc2NC(=O)[C@@H](CC)n2cccn2)c(=O)[n-]1 ZINC000055393513 570694455 /nfs/dbraw/zinc/69/44/55/570694455.db2.gz RWDIODQGUZKQSQ-CQSZACIVSA-N -1 0 384.465 2.730 50 0 GFAARM COc1cc(OC)c(OC)cc1CNC(=O)CSc1ccccc1C(=O)[O-] ZINC000012978362 570735506 /nfs/dbraw/zinc/73/55/06/570735506.db2.gz KJNMPWDLZBLJDY-UHFFFAOYSA-N -1 0 391.445 2.819 50 0 GFAARM C#Cc1cccc(N(C)S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000078747859 570747882 /nfs/dbraw/zinc/74/78/82/570747882.db2.gz OFNAHVOXEOSBPH-UHFFFAOYSA-N -1 0 394.246 2.954 50 0 GFAARM CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(C)c(=O)[n-]2)cc1 ZINC000005867735 570799231 /nfs/dbraw/zinc/79/92/31/570799231.db2.gz MATBLBWTBJRJOJ-UHFFFAOYSA-N -1 0 376.438 2.573 50 0 GFAARM O=C([O-])CCN(C(=O)c1cc(-c2ccccc2Cl)n[nH]1)C1CCOCC1 ZINC000238077120 570800627 /nfs/dbraw/zinc/80/06/27/570800627.db2.gz FNDFLZDWEAJSLV-UHFFFAOYSA-N -1 0 377.828 2.826 50 0 GFAARM CONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000012526074 570830705 /nfs/dbraw/zinc/83/07/05/570830705.db2.gz QTGTWZRKRSSFIP-UHFFFAOYSA-N -1 0 391.268 2.603 50 0 GFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc([C@@H](C)OC)cc2)c1 ZINC000071771466 570852593 /nfs/dbraw/zinc/85/25/93/570852593.db2.gz VQVYWMRPCHQABQ-CYBMUJFWSA-N -1 0 393.461 2.684 50 0 GFAARM CC1(C)[C@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)[C@@H]1C(=O)[O-] ZINC000071285443 570888484 /nfs/dbraw/zinc/88/84/84/570888484.db2.gz NDZPIEBSUCWQQH-DLBZAZTESA-N -1 0 379.416 2.580 50 0 GFAARM COc1ccc2c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc2c1C ZINC000002105094 570946715 /nfs/dbraw/zinc/94/67/15/570946715.db2.gz AJTGPBGCDBRZDR-HNNXBMFYSA-N -1 0 375.421 2.576 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002153033 570973009 /nfs/dbraw/zinc/97/30/09/570973009.db2.gz UVVGZQXJIPLQFR-QGHHPUGFSA-N -1 0 375.421 2.576 50 0 GFAARM Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000012758828 571007924 /nfs/dbraw/zinc/00/79/24/571007924.db2.gz VVAAQBWYKZMNOL-UHFFFAOYSA-N -1 0 377.853 2.984 50 0 GFAARM O=C(OC[C@H]1CCCCO1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000084392522 571016136 /nfs/dbraw/zinc/01/61/36/571016136.db2.gz MCZZCBBNBGMLJS-CYBMUJFWSA-N -1 0 382.463 2.670 50 0 GFAARM Cc1cccc(C[C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)C(=O)[O-])c1 ZINC000299753291 600071179 /nfs/dbraw/zinc/07/11/79/600071179.db2.gz XQFZWGIHKRTQHY-OAHLLOKOSA-N -1 0 384.457 2.713 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CCO1 ZINC000299752611 600428646 /nfs/dbraw/zinc/42/86/46/600428646.db2.gz UTUSSHLZFYBDQD-AABGKKOBSA-N -1 0 381.428 2.681 50 0 GFAARM Cc1cccc(C[C@@H](CNC(=O)c2cc(N3CCCC3=O)ccc2F)C(=O)[O-])c1 ZINC000237677308 600906014 /nfs/dbraw/zinc/90/60/14/600906014.db2.gz NDFQNURRKGWQDX-INIZCTEOSA-N -1 0 398.434 2.934 50 0 GFAARM Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCOC[C@H]4C(=O)[O-])cc3)o2)cc1 ZINC000299753877 601720852 /nfs/dbraw/zinc/72/08/52/601720852.db2.gz ZPYDCBMBXQEVOP-KRWDZBQOSA-N -1 0 393.399 2.638 50 0 GFAARM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000262902766 605150527 /nfs/dbraw/zinc/15/05/27/605150527.db2.gz ILIOMOWEKLKVID-DQPZFDDXSA-N -1 0 388.464 2.824 50 0 GFAARM Cc1nn(C[C@@H](C)C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C)c1Br ZINC000002794663 654438168 /nfs/dbraw/zinc/43/81/68/654438168.db2.gz PRDQMRUUHBFAMD-MRVPVSSYSA-N -1 0 396.241 2.941 50 0 GFAARM O=C(/C=C/c1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268166 654637115 /nfs/dbraw/zinc/63/71/15/654637115.db2.gz JWJPLHOQALGDRB-FPYGCLRLSA-N -1 0 379.821 2.630 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2F)cc2c1OCCO2 ZINC000057116339 654800684 /nfs/dbraw/zinc/80/06/84/654800684.db2.gz WOCDIMJMFHZEIU-UHFFFAOYSA-N -1 0 387.772 2.749 50 0 GFAARM CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)[N-]c3ncc(C)s3)ccc21 ZINC000096183056 655030494 /nfs/dbraw/zinc/03/04/94/655030494.db2.gz DKMHSARSRWSXOL-UHFFFAOYSA-N -1 0 379.507 3.287 50 0 GFAARM CO[C@@H](CS(=O)(=O)[N-]c1nc(-c2ncccc2Cl)ns1)C(C)C ZINC000888097053 663178126 /nfs/dbraw/zinc/17/81/26/663178126.db2.gz XCECHOUGTZJPFX-JTQLQIEISA-N -1 0 376.891 2.666 50 0 GFAARM C[C@H](NC(=O)c1ccc(-c2cncc(C(=O)[O-])n2)cc1)c1nc(C2CC2)no1 ZINC000426594839 231245700 /nfs/dbraw/zinc/24/57/00/231245700.db2.gz LHYBBQUWNVIFST-JTQLQIEISA-N -1 0 379.376 2.593 50 0 GFAARM O=C([O-])c1cccnc1SCc1cc(=O)n2cc(Br)ccc2n1 ZINC000006585773 206229842 /nfs/dbraw/zinc/22/98/42/206229842.db2.gz ACEFUHWZMKUKDX-UHFFFAOYSA-N -1 0 392.234 2.843 50 0 GFAARM COc1ccc(/C=C\C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)cc1F ZINC000096298129 206300453 /nfs/dbraw/zinc/30/04/53/206300453.db2.gz ZVYFAZWGEMWISL-DAXSKMNVSA-N -1 0 384.816 2.542 50 0 GFAARM CC(C)(CC(=O)[O-])CC(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000001029162 206342892 /nfs/dbraw/zinc/34/28/92/206342892.db2.gz UWOBDVQDROMWRT-UHFFFAOYSA-N -1 0 388.493 2.745 50 0 GFAARM COc1ccc(-c2cnc(S([O-])=CC(=O)NCCc3ccccc3)n2C)cc1 ZINC000009828766 206373100 /nfs/dbraw/zinc/37/31/00/206373100.db2.gz CKVQOWSOIKAVNP-MUUNZHRXSA-N -1 0 397.500 2.562 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000001182552 206363756 /nfs/dbraw/zinc/36/37/56/206363756.db2.gz PIWSGATWUVNMPY-IZZDOVSWSA-N -1 0 378.837 2.817 50 0 GFAARM CCOC(=O)c1ccc(C(=O)OCC)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000005871087 206631114 /nfs/dbraw/zinc/63/11/14/206631114.db2.gz LMIYGGSMPMMYTQ-KBPBESRZSA-N -1 0 389.404 2.646 50 0 GFAARM C[C@H]1CCc2sc3c(c2C1)c(=O)n(CC(=O)[O-])c(=O)n3CCc1ccccc1 ZINC000006760149 206672215 /nfs/dbraw/zinc/67/22/15/206672215.db2.gz RLGGEMMZBAHYSR-ZDUSSCGKSA-N -1 0 398.484 2.677 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCCOc1ccc(F)cc1 ZINC000013234896 206972083 /nfs/dbraw/zinc/97/20/83/206972083.db2.gz NQMYXOHDKFFHSF-GOSISDBHSA-N -1 0 385.395 2.681 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000014097459 207010599 /nfs/dbraw/zinc/01/05/99/207010599.db2.gz JAEWOQQJKDTGBA-UHFFFAOYSA-N -1 0 380.447 2.684 50 0 GFAARM COc1ccc(C(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1 ZINC000015861968 207065490 /nfs/dbraw/zinc/06/54/90/207065490.db2.gz BXTXITWCZGWVGL-UHFFFAOYSA-N -1 0 377.447 2.929 50 0 GFAARM CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)OC)c1C ZINC000017080798 207084879 /nfs/dbraw/zinc/08/48/79/207084879.db2.gz OZSUIVWESWOGIQ-WDEREUQCSA-N -1 0 395.433 2.625 50 0 GFAARM COc1ccc(-c2nn(-c3ccccc3F)cc2CNCc2n[nH]c(=O)[n-]2)cc1 ZINC000020206617 207183316 /nfs/dbraw/zinc/18/33/16/207183316.db2.gz JXQGCZMFNPHQRA-UHFFFAOYSA-N -1 0 394.410 2.801 50 0 GFAARM Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000021357309 207230530 /nfs/dbraw/zinc/23/05/30/207230530.db2.gz UGIVPTRRQAHIEH-UHFFFAOYSA-N -1 0 381.461 2.882 50 0 GFAARM CN(Cc1cnn(C)c1)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000024470525 207291470 /nfs/dbraw/zinc/29/14/70/207291470.db2.gz QQKJKLPLOMTKPX-UHFFFAOYSA-N -1 0 390.490 2.555 50 0 GFAARM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000036357814 207524191 /nfs/dbraw/zinc/52/41/91/207524191.db2.gz MNRWYFOFRIKXGN-YVEFUNNKSA-N -1 0 387.436 2.685 50 0 GFAARM O=C(C[C@@]1(C(=O)[O-])CCSC1)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000064611176 207805616 /nfs/dbraw/zinc/80/56/16/207805616.db2.gz LNJGSVUNNPYKRZ-IBGZPJMESA-N -1 0 376.478 2.896 50 0 GFAARM CCc1cccc([N-]S(=O)(=O)c2cc3n(c2)CCN(CC(C)C)C3=O)c1 ZINC000065254801 207853687 /nfs/dbraw/zinc/85/36/87/207853687.db2.gz FVHQWBZTEWERJF-UHFFFAOYSA-N -1 0 375.494 2.963 50 0 GFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cccc3cnccc32)c1 ZINC000072161856 207984972 /nfs/dbraw/zinc/98/49/72/207984972.db2.gz GSAMJDQOTMKPKS-UHFFFAOYSA-N -1 0 386.429 2.525 50 0 GFAARM CC(C)CCN1C[C@]2(CCCN(C(=O)CCc3cc(=O)[n-]o3)C2)CCC1=O ZINC000077539101 208049354 /nfs/dbraw/zinc/04/93/54/208049354.db2.gz SFIIJMQFDVLFSB-HXUWFJFHSA-N -1 0 377.485 2.590 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1cc(C(=O)NC2CCCC2)ccc1Cl ZINC000072403386 208014414 /nfs/dbraw/zinc/01/44/14/208014414.db2.gz CUQZCNWXPDUVSK-UHFFFAOYSA-N -1 0 388.811 2.753 50 0 GFAARM CN(C)c1cccc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)c1 ZINC000095361951 208160060 /nfs/dbraw/zinc/16/00/60/208160060.db2.gz BIGKCMFLEOZQIG-HTAPYJJXSA-N -1 0 380.444 2.531 50 0 GFAARM Cn1cc(CCC(=O)N2CCC([C@H](CC(=O)[O-])c3ccc(F)cc3)CC2)cn1 ZINC000095364999 208164470 /nfs/dbraw/zinc/16/44/70/208164470.db2.gz ASFOVDVYBCEZCG-LJQANCHMSA-N -1 0 387.455 2.989 50 0 GFAARM COc1ccc([C@H](C(=O)[O-])N2CCN(Cc3csc(C)n3)CC2)cc1C ZINC000095369093 208166944 /nfs/dbraw/zinc/16/69/44/208166944.db2.gz CNKPXACAUSPDOR-GOSISDBHSA-N -1 0 375.494 2.712 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1OC ZINC000095424070 208181566 /nfs/dbraw/zinc/18/15/66/208181566.db2.gz DXISZFGYNLFJGR-GFCCVEGCSA-N -1 0 375.425 2.670 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cccc3c2C(=O)N(C2CC2)C3=O)c(C)c1 ZINC000095466323 208191179 /nfs/dbraw/zinc/19/11/79/208191179.db2.gz KHJIGGPLBKEDOT-UHFFFAOYSA-N -1 0 386.429 2.563 50 0 GFAARM Cc1sc(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)nc1-c1ccc(C)cc1 ZINC000095951309 208242694 /nfs/dbraw/zinc/24/26/94/208242694.db2.gz NQMOUFOUUMUCFG-UHFFFAOYSA-N -1 0 393.428 2.604 50 0 GFAARM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3nccc(-c4ccccc4)n3)cc12 ZINC000095944020 208238646 /nfs/dbraw/zinc/23/86/46/208238646.db2.gz QBCYOUFXZCZHCF-UHFFFAOYSA-N -1 0 380.433 2.535 50 0 GFAARM CNS(=O)(=O)c1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc(C)c1C ZINC000096936611 208331471 /nfs/dbraw/zinc/33/14/71/208331471.db2.gz DTIHMANQXRSJRF-TWGQIWQCSA-N -1 0 388.445 2.562 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000101169351 208388457 /nfs/dbraw/zinc/38/84/57/208388457.db2.gz YTNTXHKIGHUMTN-OALUTQOASA-N -1 0 391.431 2.544 50 0 GFAARM CCCc1c(C(=O)N2CCC(C(=O)[O-])CC2)nnn1-c1cccc(Cl)c1 ZINC000236885498 208428560 /nfs/dbraw/zinc/42/85/60/208428560.db2.gz WBYNTMMNSSZEAN-UHFFFAOYSA-N -1 0 376.844 2.810 50 0 GFAARM CSCC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000008329233 208695305 /nfs/dbraw/zinc/69/53/05/208695305.db2.gz PAGYUYPIRAOYSF-MRXNPFEDSA-N -1 0 398.440 2.741 50 0 GFAARM COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c([O-])nc2ccccn2c1=O ZINC000096113917 209010063 /nfs/dbraw/zinc/01/00/63/209010063.db2.gz JEGZIYPXVHYPPV-HNNXBMFYSA-N -1 0 375.384 2.643 50 0 GFAARM CCC(CC)(CNC(=O)[C@@H](CCSC)NC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000241719803 209019430 /nfs/dbraw/zinc/01/94/30/209019430.db2.gz QPSXVJAPMBQQQW-MRXNPFEDSA-N -1 0 394.537 2.854 50 0 GFAARM CN(C(=O)CSc1nc([O-])cc(=O)n1-c1ccccc1F)c1ccccc1 ZINC000016361344 221360845 /nfs/dbraw/zinc/36/08/45/221360845.db2.gz NMGDRYAVBAHIJM-UHFFFAOYSA-N -1 0 385.420 2.832 50 0 GFAARM COc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])ccc1OCc1c(C)noc1C ZINC000408526078 533518217 /nfs/dbraw/zinc/51/82/17/533518217.db2.gz NFFCTPKYZIUBTM-INIZCTEOSA-N -1 0 388.420 2.958 50 0 GFAARM Cc1cc(Br)c([O-])c(C(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000058405780 136155416 /nfs/dbraw/zinc/15/54/16/136155416.db2.gz IVJLCDZIWJKMNP-LBPRGKRZSA-N -1 0 391.269 2.652 50 0 GFAARM O=C([O-])c1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cn1 ZINC000238007243 136192476 /nfs/dbraw/zinc/19/24/76/136192476.db2.gz YLESTAVWYOLECL-UHFFFAOYSA-N -1 0 394.353 2.592 50 0 GFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000011906598 136199915 /nfs/dbraw/zinc/19/99/15/136199915.db2.gz CDBQUWIIIIFBCR-UHFFFAOYSA-N -1 0 388.445 2.791 50 0 GFAARM COc1ccc(NC(=O)CSc2nnc(SCCC(=O)[O-])s2)cc1 ZINC000003325220 551092996 /nfs/dbraw/zinc/09/29/96/551092996.db2.gz VIBFKHZOSLAPRJ-UHFFFAOYSA-N -1 0 385.492 2.844 50 0 GFAARM NC(=O)c1c(SCC(=O)c2ccc(F)cc2)sc2c1[nH]c(=O)cc2[O-] ZINC000040288303 551134518 /nfs/dbraw/zinc/13/45/18/551134518.db2.gz OIVVTCWFYZGSRZ-UHFFFAOYSA-N -1 0 378.406 2.508 50 0 GFAARM Cc1noc(C)c1N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000170653916 551637045 /nfs/dbraw/zinc/63/70/45/551637045.db2.gz AKOYTZLJXUESIT-UHFFFAOYSA-N -1 0 389.227 2.577 50 0 GFAARM CCc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1-c1ccc(Br)cc1 ZINC000178268890 552168199 /nfs/dbraw/zinc/16/81/99/552168199.db2.gz IRSYFNVTTWDWLV-NSHDSACASA-N -1 0 392.253 2.744 50 0 GFAARM CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237019350 553073378 /nfs/dbraw/zinc/07/33/78/553073378.db2.gz ZDMILKFNYBDYTC-DZGCQCFKSA-N -1 0 384.270 2.720 50 0 GFAARM O=C([O-])C1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000238030444 553085284 /nfs/dbraw/zinc/08/52/84/553085284.db2.gz VXJDWBISRMAGPY-GFCCVEGCSA-N -1 0 385.247 2.670 50 0 GFAARM COc1ccc(Br)c(C(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC000299748364 563390923 /nfs/dbraw/zinc/39/09/23/563390923.db2.gz HCRVNJLSPKFWJJ-UHFFFAOYSA-N -1 0 386.242 2.554 50 0 GFAARM CN1Cc2cc([N-]S(=O)(=O)c3ccc(Br)o3)ccc2NC1=O ZINC000479576994 564444461 /nfs/dbraw/zinc/44/44/61/564444461.db2.gz VMASNLDJWIACBJ-UHFFFAOYSA-N -1 0 386.227 2.820 50 0 GFAARM O=C([O-])c1cnn(CC(=O)N2CCC[C@@H]2c2ccccc2Br)c1 ZINC000630298477 565894064 /nfs/dbraw/zinc/89/40/64/565894064.db2.gz GDHPAEQKBCHIMC-CQSZACIVSA-N -1 0 378.226 2.708 50 0 GFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000048346126 570240934 /nfs/dbraw/zinc/24/09/34/570240934.db2.gz ZQDVRHVTLPTBBZ-CQSZACIVSA-N -1 0 398.488 2.954 50 0 GFAARM Cn1cnc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000002392287 570285700 /nfs/dbraw/zinc/28/57/00/570285700.db2.gz SLWOFHRSEVVUHM-FQEVSTJZSA-N -1 0 391.427 2.955 50 0 GFAARM COc1ccccc1Cc1nnc(CCC(=O)N[C@H](C)c2ccccc2)c(=O)[n-]1 ZINC000034768277 570333625 /nfs/dbraw/zinc/33/36/25/570333625.db2.gz VLORDRHULSQWGV-OAHLLOKOSA-N -1 0 392.459 2.987 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000003268044 570335043 /nfs/dbraw/zinc/33/50/43/570335043.db2.gz FDCARSJLJIFTCB-AWEZNQCLSA-N -1 0 385.363 2.906 50 0 GFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 ZINC000237391437 570346576 /nfs/dbraw/zinc/34/65/76/570346576.db2.gz QVWGOHJIJMSREM-LJQANCHMSA-N -1 0 382.445 2.933 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N[C@@H](C)[C@H]3CCOC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237481803 570372194 /nfs/dbraw/zinc/37/21/94/570372194.db2.gz ISRIKHAUGJGJAT-GUYCJALGSA-N -1 0 385.464 2.661 50 0 GFAARM Cc1cc(C)n(-c2nc(CC[N-]S(=O)(=O)c3c(F)cccc3F)cs2)n1 ZINC000090609396 570385708 /nfs/dbraw/zinc/38/57/08/570385708.db2.gz MUXNXAJIPMBIDI-UHFFFAOYSA-N -1 0 398.460 2.745 50 0 GFAARM O=C([O-])CCCCCNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccco1 ZINC000004976804 570387947 /nfs/dbraw/zinc/38/79/47/570387947.db2.gz CXAJLDOZXRMSKN-DTQAZKPQSA-N -1 0 388.395 2.951 50 0 GFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000004756714 570403774 /nfs/dbraw/zinc/40/37/74/570403774.db2.gz JWWOBJKPMLFLDL-UHFFFAOYSA-N -1 0 387.461 2.546 50 0 GFAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccc(F)cc1)NC1CCCCC1 ZINC000013425543 570408285 /nfs/dbraw/zinc/40/82/85/570408285.db2.gz XIJVLKQKBAQDSN-UHFFFAOYSA-N -1 0 377.441 2.618 50 0 GFAARM O=C([O-])c1cc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)n(-c2ccccc2)n1 ZINC000237981007 570417915 /nfs/dbraw/zinc/41/79/15/570417915.db2.gz CLTKLCFPEVPKBB-LJQANCHMSA-N -1 0 395.390 2.923 50 0 GFAARM O=C([O-])C[C@H]1CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CCO1 ZINC000238064214 570422609 /nfs/dbraw/zinc/42/26/09/570422609.db2.gz NWDMFEIVVQCRAO-INIZCTEOSA-N -1 0 383.448 2.592 50 0 GFAARM CC(C)[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000005092759 570428903 /nfs/dbraw/zinc/42/89/03/570428903.db2.gz IEWONSUFAFFPGT-HFQYIWAZSA-N -1 0 390.823 2.929 50 0 GFAARM CCCCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000240551644 570430969 /nfs/dbraw/zinc/43/09/69/570430969.db2.gz GVCMCHHZDJLEDC-IAGOWNOFSA-N -1 0 394.493 2.713 50 0 GFAARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C(=O)[C@H]3C[C@@H]3c3cccnc3)cc(Cl)c2O1 ZINC000127368158 570457626 /nfs/dbraw/zinc/45/76/26/570457626.db2.gz ZGEQMSSRRRYPOO-KMUNFCNLSA-N -1 0 392.864 2.667 50 0 GFAARM Cc1cc(OCC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c2c(C)cc(=O)oc2c1 ZINC000245241020 570458877 /nfs/dbraw/zinc/45/88/77/570458877.db2.gz WKVKJOYONAXNFU-SHTZXODSSA-N -1 0 387.432 2.796 50 0 GFAARM O=C(C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCCC1=CCCCC1 ZINC000006536321 570470137 /nfs/dbraw/zinc/47/01/37/570470137.db2.gz RPOTYJILPQOKEZ-MRXNPFEDSA-N -1 0 382.489 2.751 50 0 GFAARM O=C([O-])c1csc(S(=O)(=O)N2CCc3cc(Br)ccc32)c1 ZINC000066306235 570503883 /nfs/dbraw/zinc/50/38/83/570503883.db2.gz JWSGLJOXFLOUGV-UHFFFAOYSA-N -1 0 388.264 2.960 50 0 GFAARM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCN(Cc2ccncc2)CC1 ZINC000176989721 570514539 /nfs/dbraw/zinc/51/45/39/570514539.db2.gz HMVBYYGQMDGTLZ-UHFFFAOYSA-N -1 0 397.866 2.584 50 0 GFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccn(Cc2c(F)cccc2Cl)n1 ZINC000002804851 570517746 /nfs/dbraw/zinc/51/77/46/570517746.db2.gz KGYYKIUQWKOKJS-UHFFFAOYSA-N -1 0 383.836 2.865 50 0 GFAARM O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NC1CC1 ZINC000002974429 570524387 /nfs/dbraw/zinc/52/43/87/570524387.db2.gz WZUVNXWRMRDDIY-UHFFFAOYSA-N -1 0 375.450 2.627 50 0 GFAARM Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)cc1 ZINC000269195856 570552004 /nfs/dbraw/zinc/55/20/04/570552004.db2.gz PTINJAPPWQFZOV-QGZVFWFLSA-N -1 0 387.457 2.516 50 0 GFAARM CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(C(C)=O)CC3)c([O-])n2n1 ZINC000022855124 570557571 /nfs/dbraw/zinc/55/75/71/570557571.db2.gz RLUGVPDNYMEUPB-QGZVFWFLSA-N -1 0 399.520 2.621 50 0 GFAARM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3nc4ncccn4n3)cc2s1 ZINC000225427157 570572816 /nfs/dbraw/zinc/57/28/16/570572816.db2.gz YWEPBJPMJTZVSO-UHFFFAOYSA-N -1 0 388.478 2.832 50 0 GFAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2 ZINC000006778756 570585858 /nfs/dbraw/zinc/58/58/58/570585858.db2.gz YDGBYRKUAALHPT-UHFFFAOYSA-N -1 0 376.434 2.631 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc1Cl ZINC000006823604 570624960 /nfs/dbraw/zinc/62/49/60/570624960.db2.gz LAPCNENGYCPROO-UHFFFAOYSA-N -1 0 399.881 2.836 50 0 GFAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000036356867 570636851 /nfs/dbraw/zinc/63/68/51/570636851.db2.gz HZEDZXWFWGMMSJ-OAHLLOKOSA-N -1 0 381.226 2.710 50 0 GFAARM COCCn1c2ccc(C(=O)[O-])cc2n(Cc2cncn2C2CCCC2)c1=O ZINC000055211808 570687341 /nfs/dbraw/zinc/68/73/41/570687341.db2.gz DHBNFELQIPUDNG-UHFFFAOYSA-N -1 0 384.436 2.508 50 0 GFAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc1 ZINC000006914025 570700921 /nfs/dbraw/zinc/70/09/21/570700921.db2.gz ZDDBZDCNZXQLOR-UHFFFAOYSA-N -1 0 389.477 2.871 50 0 GFAARM CC1(C)Cc2c3c(nc(N4CCOCC4)c2CS1)sc1c3[n-]cnc1=O ZINC000013115826 570746968 /nfs/dbraw/zinc/74/69/68/570746968.db2.gz ZWNCCUAYQRUTRQ-UHFFFAOYSA-N -1 0 388.518 2.937 50 0 GFAARM COc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(OC)c1 ZINC000013127573 570747883 /nfs/dbraw/zinc/74/78/83/570747883.db2.gz XQCPVTZZYRSLIM-ATVHPVEESA-N -1 0 387.436 2.801 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)c2ccccc2O1 ZINC000013436128 570754690 /nfs/dbraw/zinc/75/46/90/570754690.db2.gz QTWKTJSMODSSHG-OAHLLOKOSA-N -1 0 375.764 2.604 50 0 GFAARM Cc1nn(-c2ccccc2)cc1C(=O)N[C@](C)(COc1ccccc1)C(=O)[O-] ZINC000170044606 570792755 /nfs/dbraw/zinc/79/27/55/570792755.db2.gz FHYMXHKUIOAMHM-OAQYLSRUSA-N -1 0 379.416 2.833 50 0 GFAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccccc1OC(F)(F)C(F)F)C(=O)[O-] ZINC000067934635 570797372 /nfs/dbraw/zinc/79/73/72/570797372.db2.gz BXAWGFWVQGABAI-GFCCVEGCSA-N -1 0 389.305 2.819 50 0 GFAARM COC(=O)c1c2c(sc1[N-][C@](OC)(C(=O)OC)C(F)(F)F)CCCC2 ZINC000004653834 570806243 /nfs/dbraw/zinc/80/62/43/570806243.db2.gz OORMECJSZFSIKV-AWEZNQCLSA-N -1 0 381.372 2.903 50 0 GFAARM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000103598313 570887714 /nfs/dbraw/zinc/88/77/14/570887714.db2.gz BCFLFWGIXLIAIV-SNVBAGLBSA-N -1 0 387.436 2.861 50 0 GFAARM CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002103785 570943189 /nfs/dbraw/zinc/94/31/89/570943189.db2.gz RTDPOGLPMCJFGU-ZFWWWQNUSA-N -1 0 375.421 2.855 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cn3ccc(C)cc3n2)cc1OC ZINC000262340637 604665335 /nfs/dbraw/zinc/66/53/35/604665335.db2.gz CHSHIVCFFLFHJG-CQSZACIVSA-N -1 0 383.404 2.606 50 0 GFAARM O=C([O-])COc1cccc(NC(=O)COc2ccccc2Br)c1 ZINC000008215278 654480947 /nfs/dbraw/zinc/48/09/47/654480947.db2.gz WUDDTVFPDSOTTL-UHFFFAOYSA-N -1 0 380.194 2.930 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)N1CCn2c3ccccc3nc21 ZINC000334162969 206254757 /nfs/dbraw/zinc/25/47/57/206254757.db2.gz KONUUCFPMGEBTL-UHFFFAOYSA-N -1 0 376.825 2.608 50 0 GFAARM O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000245283688 206281962 /nfs/dbraw/zinc/28/19/62/206281962.db2.gz OEXAASQOHMSUSV-XYPYZODXSA-N -1 0 376.272 2.618 50 0 GFAARM Cc1cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)c2c(C)c(C)c(=O)oc2c1 ZINC000002096587 206291624 /nfs/dbraw/zinc/29/16/24/206291624.db2.gz JJCIEEOIMMODHY-DYVFJYSZSA-N -1 0 375.421 2.711 50 0 GFAARM O=C([O-])CN1C(=O)/C(=C\c2ccc(OCC(F)(F)F)cc2)SC1=S ZINC000096291646 206300025 /nfs/dbraw/zinc/30/00/25/206300025.db2.gz HFVCGJIKNAQWIZ-BJMVGYQFSA-N -1 0 377.365 2.914 50 0 GFAARM CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000000831818 206325773 /nfs/dbraw/zinc/32/57/73/206325773.db2.gz UXGAHMBSAWQTPM-UHFFFAOYSA-N -1 0 386.451 2.640 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCc3sccc3C2)cc(F)c1Cl ZINC000156489550 206305191 /nfs/dbraw/zinc/30/51/91/206305191.db2.gz DCJKSSHUWDWCES-UHFFFAOYSA-N -1 0 375.830 2.986 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)cc1OC ZINC000001142664 206358243 /nfs/dbraw/zinc/35/82/43/206358243.db2.gz FQFIUOGUFLWGRQ-UHFFFAOYSA-N -1 0 378.450 2.643 50 0 GFAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)N[C@@H](C)c3ccccc3)C2=O)cc1 ZINC000001294996 206371713 /nfs/dbraw/zinc/37/17/13/206371713.db2.gz REUKBKNXAOCFEW-SSICXYGWSA-N -1 0 379.416 2.903 50 0 GFAARM CCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(OC)c(OC)c2)c1=O ZINC000001310262 206371829 /nfs/dbraw/zinc/37/18/29/206371829.db2.gz UEXPVKAKEZKMCU-UHFFFAOYSA-N -1 0 382.416 2.674 50 0 GFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCc1cccs1 ZINC000009828695 206373177 /nfs/dbraw/zinc/37/31/77/206373177.db2.gz SDFLEHQPRXJWKB-UHFFFAOYSA-N -1 0 393.515 2.864 50 0 GFAARM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2ccccc2F)c3=O)cc1C ZINC000010252023 206375537 /nfs/dbraw/zinc/37/55/37/206375537.db2.gz VPGVAICOBAUJMU-UHFFFAOYSA-N -1 0 377.379 2.722 50 0 GFAARM COc1cc(OC)nc([C@H](Sc2ncc(C(=O)[O-])n2C)c2ccccc2)n1 ZINC000001742038 206389963 /nfs/dbraw/zinc/38/99/63/206389963.db2.gz AQEUKBYOMABLLC-OAHLLOKOSA-N -1 0 386.433 2.807 50 0 GFAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c2oc1=O ZINC000002107998 206399233 /nfs/dbraw/zinc/39/92/33/206399233.db2.gz DXOPKKWFXXMZGM-CJNGLKHVSA-N -1 0 375.421 2.711 50 0 GFAARM CCCC[C@@H](NC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002121330 206399299 /nfs/dbraw/zinc/39/92/99/206399299.db2.gz FTGIVXSPVFBEPW-OAHLLOKOSA-N -1 0 387.432 2.729 50 0 GFAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](CCC)C(=O)[O-])ccc12 ZINC000002104192 206399453 /nfs/dbraw/zinc/39/94/53/206399453.db2.gz FUZDNNDXMUGHAC-BLLLJJGKSA-N -1 0 375.421 2.882 50 0 GFAARM Cn1c2ccccc2c(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1C(=O)[O-] ZINC000003660306 206492357 /nfs/dbraw/zinc/49/23/57/206492357.db2.gz YPAWPWZWRXCGNJ-UHFFFAOYSA-N -1 0 395.434 2.907 50 0 GFAARM COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O ZINC000004873028 206564140 /nfs/dbraw/zinc/56/41/40/206564140.db2.gz XHMQLKBVYZMWMH-RIYZIHGNSA-N -1 0 387.369 2.854 50 0 GFAARM CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000005706773 206625999 /nfs/dbraw/zinc/62/59/99/206625999.db2.gz IZPLXRUAUHMTGJ-JKSUJKDBSA-N -1 0 396.509 2.650 50 0 GFAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000009157918 206776253 /nfs/dbraw/zinc/77/62/53/206776253.db2.gz WRJIERYQBCMKNR-RBUKOAKNSA-N -1 0 399.491 2.789 50 0 GFAARM COc1ccc(OCCSc2nc3nc(C)c(CC(=O)[O-])c(C)n3n2)cc1 ZINC000012978179 206958432 /nfs/dbraw/zinc/95/84/32/206958432.db2.gz ATWUPUWAKQQVNW-UHFFFAOYSA-N -1 0 388.449 2.548 50 0 GFAARM COc1cc(NC(=O)CSc2nnc3ccccn32)c(Cl)cc1C(=O)[O-] ZINC000013273212 206972338 /nfs/dbraw/zinc/97/23/38/206972338.db2.gz QSGKYPFLHOLBPI-UHFFFAOYSA-N -1 0 392.824 2.820 50 0 GFAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 ZINC000014097788 207010813 /nfs/dbraw/zinc/01/08/13/207010813.db2.gz DESJVNPPMDACEC-UHFFFAOYSA-N -1 0 396.852 2.676 50 0 GFAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc2c(c1)OCO2 ZINC000013961507 207005297 /nfs/dbraw/zinc/00/52/97/207005297.db2.gz IKPSDVICGRGORB-KDOFPFPSSA-N -1 0 389.429 2.791 50 0 GFAARM COc1ccc(C(=O)Nc2cc(=O)nc3[n-]c(Cc4ccccc4)nn32)cc1 ZINC000016995924 207081687 /nfs/dbraw/zinc/08/16/87/207081687.db2.gz TXTHKSYVGDXDHR-UHFFFAOYSA-N -1 0 375.388 2.682 50 0 GFAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccccc2C)c(C)n1C ZINC000021154069 207226852 /nfs/dbraw/zinc/22/68/52/207226852.db2.gz JMIGMEFTTINPDE-UHFFFAOYSA-N -1 0 375.494 2.987 50 0 GFAARM O=C(Nc1ccc(F)cc1)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249861 207850237 /nfs/dbraw/zinc/85/02/37/207850237.db2.gz YMHBKKSONSWCMP-UHFFFAOYSA-N -1 0 378.363 2.870 50 0 GFAARM COc1ccc(C(=O)Nc2nccs2)cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071284281 207933688 /nfs/dbraw/zinc/93/36/88/207933688.db2.gz USGLRNUNCIAPED-OLZOCXBDSA-N -1 0 389.433 2.699 50 0 GFAARM Cc1ccc(C)c(CC(=O)N2CC3(C[C@@H]2C(=O)[O-])CCN(C(=O)C2CC2)CC3)c1 ZINC000072412208 208017965 /nfs/dbraw/zinc/01/79/65/208017965.db2.gz ASECGHUKRFRTCV-LJQANCHMSA-N -1 0 398.503 2.550 50 0 GFAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)C2)cc1 ZINC000072478616 208032835 /nfs/dbraw/zinc/03/28/35/208032835.db2.gz XVITVZWNFUCZJQ-OAHLLOKOSA-N -1 0 376.416 2.875 50 0 GFAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c1C ZINC000085597938 208100811 /nfs/dbraw/zinc/10/08/11/208100811.db2.gz JGOOBSDFOUMIRA-UHFFFAOYSA-N -1 0 379.438 2.567 50 0 GFAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCn3c(=O)[nH]c4ccccc43)C2)cc1 ZINC000095361503 208161266 /nfs/dbraw/zinc/16/12/66/208161266.db2.gz AWCYLTVTMFLMDU-KRWDZBQOSA-N -1 0 393.443 2.824 50 0 GFAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CN4)C2)cc1 ZINC000095382912 208173603 /nfs/dbraw/zinc/17/36/03/208173603.db2.gz JGWRWQZYDNVTFA-INIZCTEOSA-N -1 0 379.416 2.769 50 0 GFAARM COc1ccc(NC(=O)C2CCN(c3nc4[n-]cnc(=O)c4s3)CC2)cc1 ZINC000096331562 208308410 /nfs/dbraw/zinc/30/84/10/208308410.db2.gz SGHJVMUALGZFDJ-UHFFFAOYSA-N -1 0 385.449 2.656 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100563753 208376970 /nfs/dbraw/zinc/37/69/70/208376970.db2.gz HWABDGNIOJVAKM-IEBWSBKVSA-N -1 0 391.427 2.601 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N[C@H](C)[C@H]3CCCO3)cc2)c(C)c1CCC(=O)[O-] ZINC000237346682 208465654 /nfs/dbraw/zinc/46/56/54/208465654.db2.gz ACVVRMGSLVHFKT-AUUYWEPGSA-N -1 0 385.464 2.804 50 0 GFAARM O=C([O-])c1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000237996541 208468484 /nfs/dbraw/zinc/46/84/84/208468484.db2.gz IEBNHVAOHLWUES-OAHLLOKOSA-N -1 0 391.221 2.756 50 0 GFAARM CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000004000430 208516121 /nfs/dbraw/zinc/51/61/21/208516121.db2.gz WKDRXWNFPLRDNZ-FZMZJTMJSA-N -1 0 393.871 2.566 50 0 GFAARM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@@H](C)C(=O)[O-])CC2 ZINC000006624324 208682166 /nfs/dbraw/zinc/68/21/66/208682166.db2.gz LZQXWLQKXLWWHV-ORAYPTAESA-N -1 0 384.432 2.834 50 0 GFAARM O=C(N=c1cc(-c2ccccc2)[nH]n1[C@@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000334157970 209094457 /nfs/dbraw/zinc/09/44/57/209094457.db2.gz CUIJDNCLSWQMOE-OAHLLOKOSA-N -1 0 399.447 2.723 50 0 GFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1n[nH]cc1Cl ZINC000096182667 209012016 /nfs/dbraw/zinc/01/20/16/209012016.db2.gz BZZXYRQHLCVJTQ-UHFFFAOYSA-N -1 0 383.842 2.573 50 0 GFAARM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1 ZINC000006348549 220930380 /nfs/dbraw/zinc/93/03/80/220930380.db2.gz HILAPDQFMZFTPH-UHFFFAOYSA-N -1 0 386.520 2.724 50 0 GFAARM O=C([O-])[C@@H]1CC2(CN1C(=O)C1CC1)CCN(c1nccc3ccccc31)CC2 ZINC000072475174 136171233 /nfs/dbraw/zinc/17/12/33/136171233.db2.gz CJNGQJRAQNHLHO-SFHVURJKSA-N -1 0 379.460 2.917 50 0 GFAARM Cc1noc(-c2ccc(N3CCC(Oc4ccccc4)(C(=O)[O-])CC3)nc2)n1 ZINC000082092252 136173430 /nfs/dbraw/zinc/17/34/30/136173430.db2.gz QBVNMVKVACXKTA-UHFFFAOYSA-N -1 0 380.404 2.943 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc(N)ccc2OC)cc1Br ZINC000003886250 551094143 /nfs/dbraw/zinc/09/41/43/551094143.db2.gz AEAUSIDVJOZKDB-UHFFFAOYSA-N -1 0 387.255 2.849 50 0 GFAARM O=C1N[C@H](c2ccsc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000015024297 551110846 /nfs/dbraw/zinc/11/08/46/551110846.db2.gz ICEPCWLFVBBDPY-BREBYQMCSA-N -1 0 376.381 2.914 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1cnc([C@H]2CCCO2)s1 ZINC000127556544 551342196 /nfs/dbraw/zinc/34/21/96/551342196.db2.gz PTUSFABAOIWNHC-CQSZACIVSA-N -1 0 378.475 2.602 50 0 GFAARM COc1ccc2c(CC(=O)[N-]S(=O)(=O)c3sc(C)nc3C)coc2c1 ZINC000170650494 551637014 /nfs/dbraw/zinc/63/70/14/551637014.db2.gz GJOZQRBCXGSMBI-UHFFFAOYSA-N -1 0 380.447 2.562 50 0 GFAARM Cn1c(SCC(=O)NCc2ccc(C(=O)[O-])cc2)nnc1-c1ccccc1 ZINC000006935752 570300252 /nfs/dbraw/zinc/30/02/52/570300252.db2.gz RBHRTNMALZBKJU-UHFFFAOYSA-N -1 0 382.445 2.589 50 0 GFAARM CCn1cc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c(C(=O)NCC(C)C)n1 ZINC000005962257 570310909 /nfs/dbraw/zinc/31/09/09/570310909.db2.gz AYLKFRZVXMXFIJ-CABCVRRESA-N -1 0 390.484 2.675 50 0 GFAARM CCCOc1cccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)c1 ZINC000034765317 570333521 /nfs/dbraw/zinc/33/35/21/570333521.db2.gz IAQJWZSZQIMKCV-UHFFFAOYSA-N -1 0 393.447 2.677 50 0 GFAARM Cc1ccc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)cc1Cl ZINC000034767845 570333652 /nfs/dbraw/zinc/33/36/52/570333652.db2.gz PAISLUSVYIPQOV-UHFFFAOYSA-N -1 0 383.839 2.850 50 0 GFAARM O=C1N[C@H](c2ccc(F)cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000004171827 570360858 /nfs/dbraw/zinc/36/08/58/570360858.db2.gz DJGDSNJZNRODIA-LALPHHSUSA-N -1 0 388.342 2.991 50 0 GFAARM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000190943835 570376106 /nfs/dbraw/zinc/37/61/06/570376106.db2.gz GXEQXSBDMIJKPT-CYBMUJFWSA-N -1 0 380.404 2.764 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)[O-] ZINC000004535695 570382313 /nfs/dbraw/zinc/38/23/13/570382313.db2.gz QJJULDSUCQXEDB-OTRWWLKZSA-N -1 0 378.469 2.943 50 0 GFAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c2oc1=O ZINC000006417468 570405882 /nfs/dbraw/zinc/40/58/82/570405882.db2.gz DXOPKKWFXXMZGM-CZUORRHYSA-N -1 0 375.421 2.711 50 0 GFAARM COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000035686280 570417998 /nfs/dbraw/zinc/41/79/98/570417998.db2.gz XMMPWWRAARJQHV-NRFANRHFSA-N -1 0 395.411 2.985 50 0 GFAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000238068868 570423006 /nfs/dbraw/zinc/42/30/06/570423006.db2.gz HLERAPVEAYKAIF-UHFFFAOYSA-N -1 0 394.402 2.926 50 0 GFAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000238124597 570426292 /nfs/dbraw/zinc/42/62/92/570426292.db2.gz LAOOGIOQZBYKGN-AWEZNQCLSA-N -1 0 388.370 2.894 50 0 GFAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000005145054 570426603 /nfs/dbraw/zinc/42/66/03/570426603.db2.gz WCDJHGACAOSJFV-UHFFFAOYSA-N -1 0 390.417 2.885 50 0 GFAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000238146328 570428227 /nfs/dbraw/zinc/42/82/27/570428227.db2.gz JGOUZFDTVSTMBP-CQSZACIVSA-N -1 0 388.370 2.894 50 0 GFAARM O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC1CCC(C(=O)[O-])CC1 ZINC000005562716 570446422 /nfs/dbraw/zinc/44/64/22/570446422.db2.gz GAMHDIDFJYINEW-UHFFFAOYSA-N -1 0 399.443 2.668 50 0 GFAARM NC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000262718148 570461904 /nfs/dbraw/zinc/46/19/04/570461904.db2.gz TVPOQCDASVAQIS-ROUUACIJSA-N -1 0 397.431 2.654 50 0 GFAARM C[C@@H](NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000064487269 570470143 /nfs/dbraw/zinc/47/01/43/570470143.db2.gz QHTKKQAJVBCFGT-SNVBAGLBSA-N -1 0 396.852 2.931 50 0 GFAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000268933767 570476019 /nfs/dbraw/zinc/47/60/19/570476019.db2.gz BCEJNAFKXYDECP-INIZCTEOSA-N -1 0 378.226 2.572 50 0 GFAARM Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000006565670 570479187 /nfs/dbraw/zinc/47/91/87/570479187.db2.gz QCQCFWOOPDHDKJ-UHFFFAOYSA-N -1 0 387.852 2.798 50 0 GFAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006701327 570489066 /nfs/dbraw/zinc/48/90/66/570489066.db2.gz HJNSSXPVKASKRR-UHFFFAOYSA-N -1 0 385.420 2.952 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)cc1OC ZINC000268948294 570489540 /nfs/dbraw/zinc/48/95/40/570489540.db2.gz RDTDHBPDGSFUHU-OXQOHEQNSA-N -1 0 399.443 2.956 50 0 GFAARM COc1cccc(CN2CCN(C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])CC2)c1 ZINC000006727038 570490620 /nfs/dbraw/zinc/49/06/20/570490620.db2.gz NMRKHYOCKIUMBD-WOJBJXKFSA-N -1 0 386.492 2.787 50 0 GFAARM COc1cccc(C(=O)N[C@@]2(C(F)(F)F)[N-]c3nc4ccccc4n3C2=O)c1 ZINC000005209618 570506973 /nfs/dbraw/zinc/50/69/73/570506973.db2.gz QNMIRPBUQTXKBE-QGZVFWFLSA-N -1 0 390.321 2.799 50 0 GFAARM O=C(N[C@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O)c1ccc(F)cc1 ZINC000005209831 570507330 /nfs/dbraw/zinc/50/73/30/570507330.db2.gz SWVCBANSVLAMOZ-INIZCTEOSA-N -1 0 378.285 2.930 50 0 GFAARM CCn1ncc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3)c2)c1C ZINC000002804908 570517514 /nfs/dbraw/zinc/51/75/14/570517514.db2.gz GSIMIRPEBUURQS-UHFFFAOYSA-N -1 0 379.873 2.910 50 0 GFAARM COC(=O)[C@@]([N-]c1nc2ccc(Cl)cc2s1)(NC(C)=O)C(F)(F)F ZINC000009109244 570549462 /nfs/dbraw/zinc/54/94/62/570549462.db2.gz GYBGZPJVRHCFAX-LBPRGKRZSA-N -1 0 381.763 2.929 50 0 GFAARM O=C([O-])c1ccc(OCc2nnnn2-c2ccc(Br)cc2)cc1 ZINC000006759666 570574440 /nfs/dbraw/zinc/57/44/40/570574440.db2.gz WNVNWBYPYUCDLM-UHFFFAOYSA-N -1 0 375.182 2.702 50 0 GFAARM O=C([O-])[C@H](c1c[nH]c2cc(CO)ccc21)N1CCN(Cc2cccs2)CC1 ZINC000036357994 570638393 /nfs/dbraw/zinc/63/83/93/570638393.db2.gz DPFZWLZZPKAXDY-IBGZPJMESA-N -1 0 385.489 2.665 50 0 GFAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000036359815 570642594 /nfs/dbraw/zinc/64/25/94/570642594.db2.gz POORZMLACTVMBM-UHFFFAOYSA-N -1 0 388.424 2.528 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCOCC2)cc1 ZINC000003137157 570707462 /nfs/dbraw/zinc/70/74/62/570707462.db2.gz ZCCXNHVYUBXBJT-UHFFFAOYSA-N -1 0 384.461 2.576 50 0 GFAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccn2c1nnc2C1CCC1 ZINC000065228834 570739782 /nfs/dbraw/zinc/73/97/82/570739782.db2.gz JXXQWQCEYYHAMJ-UHFFFAOYSA-N -1 0 386.433 2.584 50 0 GFAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000097940942 570742988 /nfs/dbraw/zinc/74/29/88/570742988.db2.gz VOIWXHRPWOJYMC-UHFFFAOYSA-N -1 0 388.449 2.789 50 0 GFAARM CCc1ccc([C@@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC000013073201 570745133 /nfs/dbraw/zinc/74/51/33/570745133.db2.gz VIGOPNLRVBLLBQ-GOSISDBHSA-N -1 0 376.478 2.528 50 0 GFAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000013262570 570752182 /nfs/dbraw/zinc/75/21/82/570752182.db2.gz WITZCUQPINOBNC-UHFFFAOYSA-N -1 0 382.663 2.588 50 0 GFAARM CCCN1CCn2cc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2C1=O ZINC000065254788 570752351 /nfs/dbraw/zinc/75/23/51/570752351.db2.gz JPEVRDORVFETIV-UHFFFAOYSA-N -1 0 397.884 2.817 50 0 GFAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1 ZINC000004484025 570805570 /nfs/dbraw/zinc/80/55/70/570805570.db2.gz HSAPJPYSNJFLGZ-RTBURBONSA-N -1 0 394.431 2.760 50 0 GFAARM COc1cccc(OC)c1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCC2)c1 ZINC000071764311 570850831 /nfs/dbraw/zinc/85/08/31/570850831.db2.gz PMLSNONFVHUISO-UHFFFAOYSA-N -1 0 391.445 2.854 50 0 GFAARM O=C([O-])c1cc(-n2cc3c(n2)CCC3)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000072154896 570874493 /nfs/dbraw/zinc/87/44/93/570874493.db2.gz XGINHEQHARJSTG-UHFFFAOYSA-N -1 0 389.477 2.624 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000170620476 570878191 /nfs/dbraw/zinc/87/81/91/570878191.db2.gz CDQCBQDLOFCMMF-INIZCTEOSA-N -1 0 378.450 2.797 50 0 GFAARM COc1cccc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)c1OC ZINC000042255912 570887016 /nfs/dbraw/zinc/88/70/16/570887016.db2.gz PIMOQEUJJQLOBA-RMKNXTFCSA-N -1 0 383.372 2.500 50 0 GFAARM CCN1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(OC)c2)CC1 ZINC000022458077 570896493 /nfs/dbraw/zinc/89/64/93/570896493.db2.gz LGQWGYQIGWJXSZ-INIZCTEOSA-N -1 0 387.509 2.540 50 0 GFAARM COC(=O)c1ccccc1NC(=O)CSc1nc(=O)c2sccc2[n-]1 ZINC000051317209 570908905 /nfs/dbraw/zinc/90/89/05/570908905.db2.gz ZPCTYXQCWUWUHX-UHFFFAOYSA-N -1 0 375.431 2.502 50 0 GFAARM CCCCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)[O-])CC3)ccc12 ZINC000002115403 570952375 /nfs/dbraw/zinc/95/23/75/570952375.db2.gz KKTJCTPNRSKSHJ-UHFFFAOYSA-N -1 0 387.432 2.838 50 0 GFAARM CCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002146596 570971532 /nfs/dbraw/zinc/97/15/32/570971532.db2.gz ZJYSGPVQOPXGFH-FQEVSTJZSA-N -1 0 381.384 2.676 50 0 GFAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCC)C(=O)[O-])ccc12 ZINC000002148341 570972180 /nfs/dbraw/zinc/97/21/80/570972180.db2.gz XRMYOOPCIFVNGG-HNNXBMFYSA-N -1 0 375.421 2.802 50 0 GFAARM Cc1cccn2cc(COc3ccccc3C(=O)N3CC[C@@H](C(=O)[O-])C3)nc12 ZINC000178274963 570974352 /nfs/dbraw/zinc/97/43/52/570974352.db2.gz BCFYYNBFVUEQBM-OAHLLOKOSA-N -1 0 379.416 2.768 50 0 GFAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000299753896 597008691 /nfs/dbraw/zinc/00/86/91/597008691.db2.gz ZSCZOOIQWQMNAP-CJNGLKHVSA-N -1 0 386.370 2.548 50 0 GFAARM CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263302317 598170716 /nfs/dbraw/zinc/17/07/16/598170716.db2.gz XAFRYDVKFGPXQO-SUHUHFCYSA-N -1 0 385.258 2.641 50 0 GFAARM COc1ccc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cc1C(=O)[O-] ZINC000055584851 600542314 /nfs/dbraw/zinc/54/23/14/600542314.db2.gz CGFNVOXMHGZRAQ-UHFFFAOYSA-N -1 0 383.372 2.813 50 0 GFAARM O=C([O-])CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000299753099 600960539 /nfs/dbraw/zinc/96/05/39/600960539.db2.gz WVPOCEUKHJYCAW-UHFFFAOYSA-N -1 0 375.343 2.610 50 0 GFAARM Cc1cc(Br)c([O-])c(C(=O)Nc2ccc(OCC(N)=O)cc2)c1 ZINC000058006503 654813720 /nfs/dbraw/zinc/81/37/20/654813720.db2.gz DXLPQGHZQJEIRI-UHFFFAOYSA-N -1 0 379.210 2.580 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2n[nH]nc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000004497835 209120078 /nfs/dbraw/zinc/12/00/78/209120078.db2.gz LUSCFUDJAFXYCW-UHFFFAOYSA-N -1 0 385.449 2.783 50 0 GFAARM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000170620737 206258319 /nfs/dbraw/zinc/25/83/19/206258319.db2.gz BPVKQRQJQSDSDR-ZENOOKHLSA-N -1 0 399.756 2.839 50 0 GFAARM O=S(=O)([N-]C[C@@](O)(c1ccsc1)c1ccco1)c1c(F)cccc1F ZINC000253470880 206283493 /nfs/dbraw/zinc/28/34/93/206283493.db2.gz ADLODNXJHIENLC-MRXNPFEDSA-N -1 0 385.413 2.834 50 0 GFAARM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000623043 206308382 /nfs/dbraw/zinc/30/83/82/206308382.db2.gz ZFHAWZASDIKRQC-UHFFFAOYSA-N -1 0 385.426 2.745 50 0 GFAARM CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000000754870 206320620 /nfs/dbraw/zinc/32/06/20/206320620.db2.gz YPIOGALIYXGWLF-UHFFFAOYSA-N -1 0 376.434 2.668 50 0 GFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)n1 ZINC000000993496 206339939 /nfs/dbraw/zinc/33/99/39/206339939.db2.gz ADIGYJPISRQNFC-UHFFFAOYSA-N -1 0 382.445 2.767 50 0 GFAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2oc1=O ZINC000002095594 206397934 /nfs/dbraw/zinc/39/79/34/206397934.db2.gz RTLPAGCOGXXQDI-CJNGLKHVSA-N -1 0 375.421 2.793 50 0 GFAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002091676 206398694 /nfs/dbraw/zinc/39/86/94/206398694.db2.gz LGGQZCNWICHIPE-PXAZEXFGSA-N -1 0 375.421 2.657 50 0 GFAARM CC(=O)N1CCc2c(c3c(nc2C(F)(F)F)sc2c3[nH]c(=O)cc2[O-])C1 ZINC000008555125 206755210 /nfs/dbraw/zinc/75/52/10/206755210.db2.gz FQNJFRFDZVBOBT-UHFFFAOYSA-N -1 0 383.351 2.767 50 0 GFAARM O=C([O-])COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1Cl ZINC000013810116 207001252 /nfs/dbraw/zinc/00/12/52/207001252.db2.gz DGEPEMZBWNFRGD-OVCLIPMQSA-N -1 0 386.816 2.574 50 0 GFAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000017076956 207082546 /nfs/dbraw/zinc/08/25/46/207082546.db2.gz RBWVFKFFBLJVTO-UHFFFAOYSA-N -1 0 376.434 2.953 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4c(C)cccc4C)c(=O)c2=3)cc1 ZINC000018162421 207093324 /nfs/dbraw/zinc/09/33/24/207093324.db2.gz SPEMQPCIQJLGQZ-IEBWSBKVSA-N -1 0 391.431 2.544 50 0 GFAARM O=C([O-])c1cccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccccc4)cnn32)c1 ZINC000020725036 207211842 /nfs/dbraw/zinc/21/18/42/207211842.db2.gz QJWWWIKOQZMQFA-MRXNPFEDSA-N -1 0 376.372 2.770 50 0 GFAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccccc4)cnn32)c1 ZINC000020725032 207212341 /nfs/dbraw/zinc/21/23/41/207212341.db2.gz QJWWWIKOQZMQFA-INIZCTEOSA-N -1 0 376.372 2.770 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c(OC)c1 ZINC000021108985 207225737 /nfs/dbraw/zinc/22/57/37/207225737.db2.gz OYKMYKKTBJLDKL-UHFFFAOYSA-N -1 0 390.461 2.759 50 0 GFAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000023078011 207268079 /nfs/dbraw/zinc/26/80/79/207268079.db2.gz VVNGEJPYZFRLCB-BETUJISGSA-N -1 0 380.491 2.798 50 0 GFAARM Cc1cc(C(O)=CSc2nc(=O)c3c[nH]nc3[n-]2)c(C)n1C[C@@H]1CCCO1 ZINC000024747812 207294923 /nfs/dbraw/zinc/29/49/23/207294923.db2.gz QWGYFNGQEDFSSS-LBPRGKRZSA-N -1 0 387.465 2.631 50 0 GFAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)C(C)(C)C)CC3)s1 ZINC000077555866 208049791 /nfs/dbraw/zinc/04/97/91/208049791.db2.gz WHGWFZCOMSRLAL-UHFFFAOYSA-N -1 0 394.522 2.578 50 0 GFAARM Cc1cccc(N2C[C@H](Nc3nccc(-c4cc(C(=O)[O-])ccn4)n3)CC2=O)c1 ZINC000072412154 208020257 /nfs/dbraw/zinc/02/02/57/208020257.db2.gz JTVJJUCOFXULAM-OAHLLOKOSA-N -1 0 389.415 2.763 50 0 GFAARM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)c3cncc(Cl)c3)CC2)n1 ZINC000072477055 208031445 /nfs/dbraw/zinc/03/14/45/208031445.db2.gz KRDSESBKZHGQHS-UHFFFAOYSA-N -1 0 390.871 2.945 50 0 GFAARM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)[C@H]1CCCO1 ZINC000078597054 208063024 /nfs/dbraw/zinc/06/30/24/208063024.db2.gz YBQFZZMUBCLJQN-IAQYHMDHSA-N -1 0 396.490 2.552 50 0 GFAARM NC(=O)[C@H]1CCCN1[C@H](C(=O)[O-])c1c[nH]c2cc(OCc3ccccc3)ccc21 ZINC000080356957 208077901 /nfs/dbraw/zinc/07/79/01/208077901.db2.gz KTDJJSNWLNTZSV-UXHICEINSA-N -1 0 393.443 2.822 50 0 GFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3ccc(OC)cc23)c1 ZINC000089274572 208105875 /nfs/dbraw/zinc/10/58/75/208105875.db2.gz ATDLJXJLGSAZGZ-UHFFFAOYSA-N -1 0 388.445 2.857 50 0 GFAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3nc4ccccc4[nH]c3=O)C2)cc1 ZINC000095373680 208168764 /nfs/dbraw/zinc/16/87/64/208168764.db2.gz USSGAWPPMULHFB-HNNXBMFYSA-N -1 0 377.400 2.641 50 0 GFAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CN4)C2)cc1 ZINC000095382911 208173753 /nfs/dbraw/zinc/17/37/53/208173753.db2.gz JGWRWQZYDNVTFA-MRXNPFEDSA-N -1 0 379.416 2.769 50 0 GFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CN4)C2)c1 ZINC000095387224 208176368 /nfs/dbraw/zinc/17/63/68/208176368.db2.gz ROTOKCJYVNOWEA-INIZCTEOSA-N -1 0 379.416 2.769 50 0 GFAARM COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2nc(=O)o[n-]2)c1 ZINC000095448213 208183615 /nfs/dbraw/zinc/18/36/15/208183615.db2.gz ZHOXUMQDOAXMFM-UHFFFAOYSA-N -1 0 391.387 2.567 50 0 GFAARM COc1ccc(OC)c(C=CC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000096129705 208266943 /nfs/dbraw/zinc/26/69/43/208266943.db2.gz JZQXNHXYWYOHGX-DAXSKMNVSA-N -1 0 385.445 2.674 50 0 GFAARM Cc1nc(C(=O)N2CCCC[C@@H]2C(=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000097017571 208332803 /nfs/dbraw/zinc/33/28/03/208332803.db2.gz XAODYMIATCMROE-GFCCVEGCSA-N -1 0 383.235 2.962 50 0 GFAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000236825726 208368006 /nfs/dbraw/zinc/36/80/06/208368006.db2.gz SZJPSLQMJNLSKZ-PMACEKPBSA-N -1 0 378.428 2.763 50 0 GFAARM CSCC[C@@H](C(=O)Nc1ccccc1C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000008429424 208696231 /nfs/dbraw/zinc/69/62/31/208696231.db2.gz XWEIDLKYOFWVHH-INIZCTEOSA-N -1 0 398.440 2.741 50 0 GFAARM Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000020615327 208811706 /nfs/dbraw/zinc/81/17/06/208811706.db2.gz LJIUAWVOEGNGFS-UHFFFAOYSA-N -1 0 393.325 2.884 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC000120743042 209095470 /nfs/dbraw/zinc/09/54/70/209095470.db2.gz APLCRQFSDMRNGI-BBRMVZONSA-N -1 0 384.432 2.854 50 0 GFAARM CCOC(=O)[C@@H]1CC=C2[C@@H]3CC[C@]4(O)C[C@H](O)CC[C@]4(C(=O)[O-])[C@H]3CC[C@]21C ZINC000254381481 209043901 /nfs/dbraw/zinc/04/39/01/209043901.db2.gz RIUISGYIXPQHGQ-CUZFGDDOSA-N -1 0 392.492 2.669 50 0 GFAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1)N1CCOCC1 ZINC000016577037 221364836 /nfs/dbraw/zinc/36/48/36/221364836.db2.gz HBJNUBNXSUVNLI-UHFFFAOYSA-N -1 0 394.880 2.754 50 0 GFAARM O=C([O-])c1ccnc(-c2ccnc(N3CCC[C@@H](C(=O)c4cccnc4)C3)n2)c1 ZINC000072423400 136169848 /nfs/dbraw/zinc/16/98/48/136169848.db2.gz HKMNQBTVPOGXPW-MRXNPFEDSA-N -1 0 389.415 2.731 50 0 GFAARM C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)C1=O ZINC000096936628 136188001 /nfs/dbraw/zinc/18/80/01/136188001.db2.gz MWWBSXFVPUCTEW-KOTGUFOOSA-N -1 0 380.400 2.927 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000238021854 136192346 /nfs/dbraw/zinc/19/23/46/136192346.db2.gz GLSGUAJSANSXMY-GOSISDBHSA-N -1 0 399.878 2.990 50 0 GFAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238899387 526150931 /nfs/dbraw/zinc/15/09/31/526150931.db2.gz GCWSGQPKIODBTC-RBSFLKMASA-N -1 0 387.432 2.876 50 0 GFAARM COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000003395513 551093405 /nfs/dbraw/zinc/09/34/05/551093405.db2.gz VALZDWALHBMQGW-UHFFFAOYSA-N -1 0 382.825 2.886 50 0 GFAARM CCn1cc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000425253889 563414952 /nfs/dbraw/zinc/41/49/52/563414952.db2.gz KKOFWMKFQBGSOR-CABCVRRESA-N -1 0 392.253 2.606 50 0 GFAARM CCOC(C)(C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000630195023 565886510 /nfs/dbraw/zinc/88/65/10/565886510.db2.gz BNJYKESSJIIHAM-KGLIPLIRSA-N -1 0 384.270 2.891 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000236584834 570245391 /nfs/dbraw/zinc/24/53/91/570245391.db2.gz NGFUGRNZFWRUQL-SJORKVTESA-N -1 0 386.473 2.916 50 0 GFAARM Cc1ccccc1-c1noc(COC(=O)c2ccccc2[N-]S(C)(=O)=O)n1 ZINC000012824832 570260698 /nfs/dbraw/zinc/26/06/98/570260698.db2.gz OMYXQBLCMWIBPD-UHFFFAOYSA-N -1 0 387.417 2.774 50 0 GFAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)NCCc1ccccc1 ZINC000049003417 570261657 /nfs/dbraw/zinc/26/16/57/570261657.db2.gz BVELQARDSQFDMU-UHFFFAOYSA-N -1 0 398.488 2.800 50 0 GFAARM CCCN(CC(=O)N1CCc2ccccc21)Cc1nc(=O)c2sccc2[n-]1 ZINC000012913461 570291838 /nfs/dbraw/zinc/29/18/38/570291838.db2.gz PIBQMBHAMZKJHR-UHFFFAOYSA-N -1 0 382.489 2.786 50 0 GFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)n1 ZINC000003211104 570332888 /nfs/dbraw/zinc/33/28/88/570332888.db2.gz ICSGQZJXUQPWFN-UHFFFAOYSA-N -1 0 383.433 2.542 50 0 GFAARM CCOC(=O)c1cnc(NC(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)[n-]1 ZINC000023430502 570362553 /nfs/dbraw/zinc/36/25/53/570362553.db2.gz OBEIYJKAXHDYAC-UHFFFAOYSA-N -1 0 384.436 2.741 50 0 GFAARM O=C([O-])c1ccccc1[C@@H]1Nc2ccccc2C(=O)N1CCCN1CCOCC1 ZINC000004334738 570369026 /nfs/dbraw/zinc/36/90/26/570369026.db2.gz NECDRBSBZMQGEX-HXUWFJFHSA-N -1 0 395.459 2.674 50 0 GFAARM Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC000004548577 570383484 /nfs/dbraw/zinc/38/34/84/570383484.db2.gz KOJDPUICKGBEMM-UHFFFAOYSA-N -1 0 376.434 2.908 50 0 GFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cccc(-c3noc(C)n3)c2)c1 ZINC000035556769 570395890 /nfs/dbraw/zinc/39/58/90/570395890.db2.gz GDAZUCFIYNICAZ-UHFFFAOYSA-N -1 0 375.406 2.863 50 0 GFAARM Cc1c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)nnn1-c1ccccc1Cl ZINC000237753176 570405477 /nfs/dbraw/zinc/40/54/77/570405477.db2.gz KYXDZSJPVKYPSE-CYBMUJFWSA-N -1 0 376.844 2.946 50 0 GFAARM O=C([O-])c1cc(C(=O)N2CCO[C@H](c3ccsc3)C2)n(-c2ccccc2)n1 ZINC000237981416 570417902 /nfs/dbraw/zinc/41/79/02/570417902.db2.gz BGVOBCQKTDFZQI-KRWDZBQOSA-N -1 0 383.429 2.846 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000123761164 570418748 /nfs/dbraw/zinc/41/87/48/570418748.db2.gz HLUUQBKJUOVPKI-VXGBXAGGSA-N -1 0 386.376 2.501 50 0 GFAARM CCOc1ccc(-c2nc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)cs2)cc1 ZINC000262448594 570448464 /nfs/dbraw/zinc/44/84/64/570448464.db2.gz QIZMGZMIBNMNCO-CQSZACIVSA-N -1 0 376.434 2.525 50 0 GFAARM CC(C)Oc1ccc(-c2nc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cs2)cc1 ZINC000269037085 570509884 /nfs/dbraw/zinc/50/98/84/570509884.db2.gz PAKAHVHUYSZRNP-HNNXBMFYSA-N -1 0 390.461 2.913 50 0 GFAARM O=S(=O)([N-]c1ncccn1)c1ccc(Nc2ncnc3ccccc32)cc1 ZINC000000791325 570533731 /nfs/dbraw/zinc/53/37/31/570533731.db2.gz VFDVQSPEAOHSPY-UHFFFAOYSA-N -1 0 378.417 2.964 50 0 GFAARM COc1cc(C(=S)N2CCN(c3ccccc3)CC2)ccc1OCC(=O)[O-] ZINC000009189296 570551622 /nfs/dbraw/zinc/55/16/22/570551622.db2.gz JXDJHAQOXKWIFC-UHFFFAOYSA-N -1 0 386.473 2.656 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1OC ZINC000005329286 570554801 /nfs/dbraw/zinc/55/48/01/570554801.db2.gz WQBCBUGORMJNDZ-UHFFFAOYSA-N -1 0 390.461 2.940 50 0 GFAARM CC(=O)N1C[C@@H](C)Oc2cc(S(=O)(=O)[N-]c3ccc(Cl)cn3)ccc21 ZINC000097757760 570572632 /nfs/dbraw/zinc/57/26/32/570572632.db2.gz CKPKXDLQOYAESW-SNVBAGLBSA-N -1 0 381.841 2.670 50 0 GFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2 ZINC000006778758 570585930 /nfs/dbraw/zinc/58/59/30/570585930.db2.gz MDOJWKWGJGMFJF-UHFFFAOYSA-N -1 0 376.434 2.550 50 0 GFAARM COCc1nn2c(ncc3c(=O)n(CC(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397815 570601324 /nfs/dbraw/zinc/60/13/24/570601324.db2.gz DBAIYPRUEGBFNP-UHFFFAOYSA-N -1 0 398.806 2.596 50 0 GFAARM CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000060347126 570671130 /nfs/dbraw/zinc/67/11/30/570671130.db2.gz DPGMSUUHMIMUIK-UHFFFAOYSA-N -1 0 387.417 2.877 50 0 GFAARM COc1ccc(OC)c(NC(C)=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000005624706 570674052 /nfs/dbraw/zinc/67/40/52/570674052.db2.gz GUPUSXRZUMIWNH-AQTBWJFISA-N -1 0 395.415 2.668 50 0 GFAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000006887607 570682217 /nfs/dbraw/zinc/68/22/17/570682217.db2.gz IUHISOHSAMEMGW-UHFFFAOYSA-N -1 0 378.450 2.822 50 0 GFAARM CCSc1nnc(-c2ccccc2NC(=O)COc2cccnc2)c(=O)[n-]1 ZINC000055120446 570683874 /nfs/dbraw/zinc/68/38/74/570683874.db2.gz JKYDOZVUHQCJDZ-UHFFFAOYSA-N -1 0 383.433 2.769 50 0 GFAARM O=C([O-])[C@H](CC(F)F)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000262967927 570701557 /nfs/dbraw/zinc/70/15/57/570701557.db2.gz JSFHJZPWJFWJDV-JTQLQIEISA-N -1 0 377.269 2.729 50 0 GFAARM COc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc(Cl)c1OCCC(C)C ZINC000262987867 570702120 /nfs/dbraw/zinc/70/21/20/570702120.db2.gz NYVMYPKJCIRGLX-HNNXBMFYSA-N -1 0 385.844 2.699 50 0 GFAARM COc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000006918567 570704106 /nfs/dbraw/zinc/70/41/06/570704106.db2.gz ILFCGVUZXCWBHB-UHFFFAOYSA-N -1 0 377.447 2.537 50 0 GFAARM CCCCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000012927947 570730490 /nfs/dbraw/zinc/73/04/90/570730490.db2.gz GVCMCHHZDJLEDC-SJORKVTESA-N -1 0 394.493 2.713 50 0 GFAARM COc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(F)cc4)c3[nH]c2=O)cc1 ZINC000065249942 570748367 /nfs/dbraw/zinc/74/83/67/570748367.db2.gz SNGQSZXPWKRCRX-UHFFFAOYSA-N -1 0 394.362 2.819 50 0 GFAARM CCOc1c(Br)cc(C(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC000013167277 570749670 /nfs/dbraw/zinc/74/96/70/570749670.db2.gz DNAIJFFTHMROPA-UHFFFAOYSA-N -1 0 386.242 2.793 50 0 GFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000036656636 570781409 /nfs/dbraw/zinc/78/14/09/570781409.db2.gz RDXLBLBHURZXSU-UHFFFAOYSA-N -1 0 398.492 2.885 50 0 GFAARM COc1ccc(Cn2nc(C(=O)[O-])c3c2CCN(C(=O)c2occc2C)C3)cc1 ZINC000067756210 570789563 /nfs/dbraw/zinc/78/95/63/570789563.db2.gz JNPCOVWAXXAUQR-UHFFFAOYSA-N -1 0 395.415 2.738 50 0 GFAARM Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3nc4[n-]cnc(=O)c4s3)C2)c1 ZINC000033141052 570827660 /nfs/dbraw/zinc/82/76/60/570827660.db2.gz VUGWFYZTIMRWMJ-ZDUSSCGKSA-N -1 0 383.477 2.852 50 0 GFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cccc3ncccc32)c1 ZINC000071753546 570847916 /nfs/dbraw/zinc/84/79/16/570847916.db2.gz CWEYGKBZNKVELU-UHFFFAOYSA-N -1 0 386.429 2.525 50 0 GFAARM CN1c2ccccc2[C@](CC(=O)NCCCC(=O)[O-])(Cc2ccccc2)C1=O ZINC000071758870 570849076 /nfs/dbraw/zinc/84/90/76/570849076.db2.gz XJQCRUQJYODUDT-JOCHJYFZSA-N -1 0 380.444 2.515 50 0 GFAARM Cc1c2ccccc2sc1C(=O)N1C[C@@H](C(=O)[O-])C[C@H](C(=O)NC2CC2)C1 ZINC000072150300 570873357 /nfs/dbraw/zinc/87/33/57/570873357.db2.gz NAMZZYJPFGWYTL-STQMWFEESA-N -1 0 386.473 2.651 50 0 GFAARM Cc1cnc2c(C(=O)N3CCC[C@H](Cc4ccc(C(=O)[O-])cc4)C3)cnn2c1 ZINC000072156891 570874482 /nfs/dbraw/zinc/87/44/82/570874482.db2.gz YXRRCFUUVBSYKB-MRXNPFEDSA-N -1 0 378.432 2.831 50 0 GFAARM CC1(C)[C@H](C(=O)Nc2ccc(-c3nnc(-c4ccncc4)[nH]3)cc2)[C@@H]1C(=O)[O-] ZINC000071286626 570888855 /nfs/dbraw/zinc/88/88/55/570888855.db2.gz KALWYJUPRPMCSS-LSDHHAIUSA-N -1 0 377.404 2.829 50 0 GFAARM Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000042793121 570893394 /nfs/dbraw/zinc/89/33/94/570893394.db2.gz LUEJPPLHADZKJF-UHFFFAOYSA-N -1 0 376.434 2.504 50 0 GFAARM Cc1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)cc1C(=O)[O-] ZINC000042792441 570893841 /nfs/dbraw/zinc/89/38/41/570893841.db2.gz UKRJSBPVGIVOCG-UHFFFAOYSA-N -1 0 390.339 2.830 50 0 GFAARM Cc1ccc(C(=O)N2CCc3c(nc4cc(-c5ccccc5)[n-]n4c3=O)C2)cn1 ZINC000097138627 570898827 /nfs/dbraw/zinc/89/88/27/570898827.db2.gz ARNHOVZVCICNJX-UHFFFAOYSA-N -1 0 385.427 2.592 50 0 GFAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3[nH]cnc32)cc1COc1ccccc1F ZINC000002110273 570950327 /nfs/dbraw/zinc/95/03/27/570950327.db2.gz DSBIRTBUTMGDJM-QFBILLFUSA-N -1 0 397.406 2.825 50 0 GFAARM Cc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3F)c2)n1 ZINC000047328437 570953464 /nfs/dbraw/zinc/95/34/64/570953464.db2.gz LCUZZEXCNBBVIN-UHFFFAOYSA-N -1 0 395.362 2.963 50 0 GFAARM COc1ccccc1NC(=O)c1cnc([N-]S(=O)(=O)c2ccccc2)nc1 ZINC000004742591 570956780 /nfs/dbraw/zinc/95/67/80/570956780.db2.gz HDRBPOYZSLVCHI-UHFFFAOYSA-N -1 0 384.417 2.538 50 0 GFAARM CN1C(=O)N[C@H](c2cccnc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139944 570960017 /nfs/dbraw/zinc/96/00/17/570960017.db2.gz FOMXGRXQNHKVHM-LALPHHSUSA-N -1 0 385.367 2.589 50 0 GFAARM CCC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002157845 570973875 /nfs/dbraw/zinc/97/38/75/570973875.db2.gz BTCASKWFHPAYAI-WFASDCNBSA-N -1 0 387.432 2.727 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(=O)NC1CCCC1 ZINC000016624294 570984648 /nfs/dbraw/zinc/98/46/48/570984648.db2.gz XOWPNDXPIYGBLV-UHFFFAOYSA-N -1 0 375.450 2.563 50 0 GFAARM CCOc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1OCC(=O)[O-] ZINC000299751854 599897145 /nfs/dbraw/zinc/89/71/45/599897145.db2.gz RZIHAEMPLDTACZ-LBPRGKRZSA-N -1 0 375.343 2.963 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000299752415 600831072 /nfs/dbraw/zinc/83/10/72/600831072.db2.gz UBIHYSRASHEMKK-SFHVURJKSA-N -1 0 382.391 2.604 50 0 GFAARM CCOc1c(Cl)cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1OC ZINC000299748136 600966662 /nfs/dbraw/zinc/96/66/62/600966662.db2.gz GELIMZBCIXTUJW-UHFFFAOYSA-N -1 0 385.844 2.843 50 0 GFAARM O=C([O-])CCC(=O)N1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000000889803 206331483 /nfs/dbraw/zinc/33/14/83/206331483.db2.gz PUWMTGSPFLYYJB-UHFFFAOYSA-N -1 0 390.443 2.810 50 0 GFAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000670691 206314560 /nfs/dbraw/zinc/31/45/60/206314560.db2.gz AADDMZBEYPPMNY-UHFFFAOYSA-N -1 0 388.445 2.812 50 0 GFAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000000805380 206323344 /nfs/dbraw/zinc/32/33/44/206323344.db2.gz CCEFDCKNOPIXFU-UHFFFAOYSA-N -1 0 391.445 2.986 50 0 GFAARM O=C([O-])CCN1C(=O)c2ccc(NC(=O)CSCc3ccccc3)cc2C1=O ZINC000001075000 206350268 /nfs/dbraw/zinc/35/02/68/206350268.db2.gz UTBHRZWDSSOXPW-UHFFFAOYSA-N -1 0 398.440 2.629 50 0 GFAARM CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3OC)cc2CCC1=O ZINC000009828237 206371679 /nfs/dbraw/zinc/37/16/79/206371679.db2.gz YWGGLLOUVUKGGW-UHFFFAOYSA-N -1 0 390.461 2.804 50 0 GFAARM Cc1c([C@@H](C)OC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)sc2ncnn12 ZINC000001405017 206378979 /nfs/dbraw/zinc/37/89/79/206378979.db2.gz VTWBTQAYISBOSG-LLVKDONJSA-N -1 0 380.451 2.584 50 0 GFAARM CCc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000001190245 206365387 /nfs/dbraw/zinc/36/53/87/206365387.db2.gz PMPVBERGOBHKEO-UHFFFAOYSA-N -1 0 386.411 2.851 50 0 GFAARM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000001926330 206395100 /nfs/dbraw/zinc/39/51/00/206395100.db2.gz TWUJXLORHMDNAN-UHFFFAOYSA-N -1 0 382.397 2.929 50 0 GFAARM CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCCCC(=O)[O-])c12 ZINC000002123746 206399129 /nfs/dbraw/zinc/39/91/29/206399129.db2.gz GPPCSJURVVPHJK-CYBMUJFWSA-N -1 0 375.421 2.802 50 0 GFAARM Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000002830212 206438395 /nfs/dbraw/zinc/43/83/95/206438395.db2.gz BJRKXELMVXGPIO-GDLUXTLDSA-N -1 0 378.428 2.842 50 0 GFAARM O=C([O-])c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000004865398 206564722 /nfs/dbraw/zinc/56/47/22/206564722.db2.gz TUPNHUTYYDQELT-UHFFFAOYSA-N -1 0 388.445 2.812 50 0 GFAARM CCOCCC1C(=O)N=C(SCC(=O)Nc2cccc3ccccc32)N=C1[O-] ZINC000013957198 207007018 /nfs/dbraw/zinc/00/70/18/207007018.db2.gz UMHWYYQRNZELJS-UHFFFAOYSA-N -1 0 399.472 2.939 50 0 GFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C ZINC000015669332 207053060 /nfs/dbraw/zinc/05/30/60/207053060.db2.gz MBAMQOYFHDZKCL-UHFFFAOYSA-N -1 0 385.445 2.863 50 0 GFAARM Cc1cccc(OCC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000015861989 207065233 /nfs/dbraw/zinc/06/52/33/207065233.db2.gz GPFTXUQMFXJBRQ-UHFFFAOYSA-N -1 0 391.474 2.994 50 0 GFAARM C[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017080622 207085451 /nfs/dbraw/zinc/08/54/51/207085451.db2.gz MHEFNRBBYXDBKZ-LLVKDONJSA-N -1 0 394.493 2.585 50 0 GFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020574758 207204412 /nfs/dbraw/zinc/20/44/12/207204412.db2.gz WTFLVAOEVQQRHU-UHFFFAOYSA-N -1 0 377.447 2.616 50 0 GFAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020574754 207205266 /nfs/dbraw/zinc/20/52/66/207205266.db2.gz MMZISTFANQGHPG-UHFFFAOYSA-N -1 0 377.447 2.698 50 0 GFAARM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4c(C)noc4C)CC3)c2c1 ZINC000020732641 207211323 /nfs/dbraw/zinc/21/13/23/207211323.db2.gz MGDVJYPEUXGJPV-FQEVSTJZSA-N -1 0 398.463 2.725 50 0 GFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2ccc3ccc(F)cc32)c1 ZINC000020723848 207211993 /nfs/dbraw/zinc/21/19/93/207211993.db2.gz MILRYYJHDRWTQO-UHFFFAOYSA-N -1 0 376.409 2.918 50 0 GFAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)s2)on1 ZINC000021540589 207233211 /nfs/dbraw/zinc/23/32/11/207233211.db2.gz PFWZQXKPXDJAAV-UHFFFAOYSA-N -1 0 394.430 2.999 50 0 GFAARM CCO[N-]C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022874474 207263847 /nfs/dbraw/zinc/26/38/47/207263847.db2.gz QTPSCLQNDZOFIQ-UHFFFAOYSA-N -1 0 382.869 2.599 50 0 GFAARM O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc([O-])c(Cl)c1 ZINC000025685993 207306384 /nfs/dbraw/zinc/30/63/84/207306384.db2.gz UFIJBNPTTBLZQC-KRWDZBQOSA-N -1 0 378.831 2.988 50 0 GFAARM Cn1cc(S(=O)(=O)[N-]c2cccc(C3SCCCS3)c2)cc1C(N)=O ZINC000028240147 207337982 /nfs/dbraw/zinc/33/79/82/207337982.db2.gz OYAZNWUIHAQAME-UHFFFAOYSA-N -1 0 397.547 2.794 50 0 GFAARM COc1cccc2c1N(S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)CCC2 ZINC000031533915 207381906 /nfs/dbraw/zinc/38/19/06/207381906.db2.gz DHNOJSYBTQDOGK-UHFFFAOYSA-N -1 0 375.446 2.854 50 0 GFAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)C1 ZINC000032081077 207390401 /nfs/dbraw/zinc/39/04/01/207390401.db2.gz CEAVSBHMEUMOGY-LLVKDONJSA-N -1 0 394.836 2.578 50 0 GFAARM C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)/C=C/C(=O)[O-])cc32)C1 ZINC000032094147 207391226 /nfs/dbraw/zinc/39/12/26/207391226.db2.gz NTIXBZAMPWLWKP-JWUHVXBTSA-N -1 0 399.447 2.851 50 0 GFAARM COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)C2CCC2)C3)cc1 ZINC000067909452 207917950 /nfs/dbraw/zinc/91/79/50/207917950.db2.gz YZMILPAPGSENJD-UHFFFAOYSA-N -1 0 383.448 2.517 50 0 GFAARM CC(=O)N1CCC2(C[C@H](C(=O)[O-])N(C(=O)c3ccc(Cl)cc3C)C2)CC1 ZINC000072412307 208018894 /nfs/dbraw/zinc/01/88/94/208018894.db2.gz RDOMLEJZBFXCFY-MRXNPFEDSA-N -1 0 378.856 2.576 50 0 GFAARM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2cc(C(C)=O)cn2C)CC1 ZINC000082096343 208078360 /nfs/dbraw/zinc/07/83/60/208078360.db2.gz XJLURRAMCKZJPI-UHFFFAOYSA-N -1 0 386.448 2.735 50 0 GFAARM COc1ccc(C(=O)CCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC000091644747 208130641 /nfs/dbraw/zinc/13/06/41/208130641.db2.gz LTFDPYANKUKVKL-RBUKOAKNSA-N -1 0 381.428 2.985 50 0 GFAARM Cc1cccc2c1nc(SCC(=O)[O-])n1nc(-c3ccccc3)c(=O)nc21 ZINC000089689022 208106876 /nfs/dbraw/zinc/10/68/76/208106876.db2.gz BXMJLXSNTVBSPG-UHFFFAOYSA-N -1 0 378.413 2.790 50 0 GFAARM CC(C)CCn1cc([C@@H](C(=O)[O-])N2CCN(C3CCCCC3)C(=O)C2)cn1 ZINC000095379736 208171508 /nfs/dbraw/zinc/17/15/08/208171508.db2.gz HPMNKNSGTKNGRQ-IBGZPJMESA-N -1 0 376.501 2.532 50 0 GFAARM Cc1ccc(C(=O)NCCCC(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000095424147 208181948 /nfs/dbraw/zinc/18/19/48/208181948.db2.gz NEGSAUCYVMWKSQ-UHFFFAOYSA-N -1 0 394.424 2.530 50 0 GFAARM Cc1ocnc1C(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000095463935 208188928 /nfs/dbraw/zinc/18/89/28/208188928.db2.gz UIPSCRCWWFOBIN-CYBMUJFWSA-N -1 0 392.209 2.653 50 0 GFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000095481490 208195730 /nfs/dbraw/zinc/19/57/30/208195730.db2.gz QQEGIWFIPAGCEK-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C)no2)cc1OC ZINC000096379740 208312788 /nfs/dbraw/zinc/31/27/88/208312788.db2.gz ZQZLUCJRQNVUAQ-UHFFFAOYSA-N -1 0 392.437 2.808 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000100033391 208369373 /nfs/dbraw/zinc/36/93/73/208369373.db2.gz ACCQGHIXOMPUAC-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(C)c4)c=3c2=O)c1 ZINC000101260823 208389482 /nfs/dbraw/zinc/38/94/82/208389482.db2.gz PSHHJFGMIIAYME-ZWKOTPCHSA-N -1 0 380.404 2.818 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1OC ZINC000101418177 208391492 /nfs/dbraw/zinc/39/14/92/208391492.db2.gz NFPGZLIEMWNEFW-ZWKOTPCHSA-N -1 0 380.404 2.506 50 0 GFAARM CCOC(=O)CN1c2ccccc2S/C1=C(\NC(=O)c1ccccc1)C(=O)[O-] ZINC000101426448 208394160 /nfs/dbraw/zinc/39/41/60/208394160.db2.gz MORHLIJVOVSMQD-ZPHPHTNESA-N -1 0 398.440 2.846 50 0 GFAARM CCCn1c2ccccc2n(CCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1=O ZINC000237013520 208441131 /nfs/dbraw/zinc/44/11/31/208441131.db2.gz OSUMMBLICSNKKN-INIZCTEOSA-N -1 0 387.480 2.707 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N[C@H](C)[C@@H]3CCOC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237346568 208465372 /nfs/dbraw/zinc/46/53/72/208465372.db2.gz ISRIKHAUGJGJAT-CXAGYDPISA-N -1 0 385.464 2.661 50 0 GFAARM Cc1cc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@@H]2CCS(=O)(=O)C2)c(C)o1 ZINC000334158515 209096124 /nfs/dbraw/zinc/09/61/24/209096124.db2.gz SMOBYUIGXOTHEO-MRXNPFEDSA-N -1 0 399.472 2.794 50 0 GFAARM COC(=O)C[C@H](c1ccc(OC)cc1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096114900 209009991 /nfs/dbraw/zinc/00/99/91/209009991.db2.gz BMMBECHAMZYSOL-CQSZACIVSA-N -1 0 388.807 2.757 50 0 GFAARM COC(=O)C[C@H](c1ccc(F)c(F)c1F)c1c([O-])nc2ccccn2c1=O ZINC000096118300 209010421 /nfs/dbraw/zinc/01/04/21/209010421.db2.gz NDUBVRAIOWHBIN-SNVBAGLBSA-N -1 0 378.306 2.512 50 0 GFAARM Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013364634 221266808 /nfs/dbraw/zinc/26/68/08/221266808.db2.gz OMPRPIWZKFGOEV-UHFFFAOYSA-N -1 0 382.445 2.835 50 0 GFAARM Cc1cc(N2CCOCC2)nc2sc3c(ncnc3SCC(=O)[O-])c21 ZINC000071281512 136165425 /nfs/dbraw/zinc/16/54/25/136165425.db2.gz WJZWYVVKYNOXHP-UHFFFAOYSA-N -1 0 376.463 2.561 50 0 GFAARM O=C([O-])c1ccccc1CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000072401214 136169304 /nfs/dbraw/zinc/16/93/04/136169304.db2.gz ZCNRJEWRUNFJLQ-UHFFFAOYSA-N -1 0 393.365 2.690 50 0 GFAARM Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cn1 ZINC000096098388 136183678 /nfs/dbraw/zinc/18/36/78/136183678.db2.gz RRVRQOPRTQEZTE-UHFFFAOYSA-N -1 0 396.472 2.814 50 0 GFAARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000000658053 136192890 /nfs/dbraw/zinc/19/28/90/136192890.db2.gz AFZOKVHVTRDPGK-KPKJPENVSA-N -1 0 388.832 2.886 50 0 GFAARM CN1c2ccccc2[C@@](CC(=O)NC(C)(C)C(=O)[O-])(Cc2ccccc2)C1=O ZINC000071760818 517952821 /nfs/dbraw/zinc/95/28/21/517952821.db2.gz HAAMLNGHEURTRY-QFIPXVFZSA-N -1 0 380.444 2.513 50 0 GFAARM CC(=O)N[C@H](CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1c(F)cccc1F ZINC000299753066 519695432 /nfs/dbraw/zinc/69/54/32/519695432.db2.gz WRRCIMHBXJEQAH-YYQUZTFQSA-N -1 0 394.418 2.776 50 0 GFAARM O=C([O-])Cc1csc(NC(=O)COc2ccc(F)cc2Br)n1 ZINC000013404985 551108744 /nfs/dbraw/zinc/10/87/44/551108744.db2.gz QNDNJVSYJKBAQH-UHFFFAOYSA-N -1 0 389.202 2.689 50 0 GFAARM O=S(=O)([N-]c1nnc2ccccn21)c1cc(Br)ccc1Cl ZINC000225549872 553059359 /nfs/dbraw/zinc/05/93/59/553059359.db2.gz HNWLXRJRPDQTMG-UHFFFAOYSA-N -1 0 387.646 2.946 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2)c(C)c1Br ZINC000237660971 553080720 /nfs/dbraw/zinc/08/07/20/553080720.db2.gz QFKUYOPWEJCWBD-ZDUSSCGKSA-N -1 0 392.253 2.798 50 0 GFAARM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)C1CCOCC1 ZINC000238104939 553086192 /nfs/dbraw/zinc/08/61/92/553086192.db2.gz YNSBYDVUYWOBQL-CABCVRRESA-N -1 0 382.254 2.645 50 0 GFAARM O=C([O-])CN(C(=O)c1cc2cc(Br)ccc2o1)C1CCOCC1 ZINC000238112425 553086257 /nfs/dbraw/zinc/08/62/57/553086257.db2.gz LSFKKVIEYDZEOQ-UHFFFAOYSA-N -1 0 382.210 2.901 50 0 GFAARM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C1CCOCC1 ZINC000238103190 553086363 /nfs/dbraw/zinc/08/63/63/553086363.db2.gz YNSBYDVUYWOBQL-HUUCEWRRSA-N -1 0 382.254 2.645 50 0 GFAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000261691841 553156497 /nfs/dbraw/zinc/15/64/97/553156497.db2.gz HRUOVIDDMSOTCC-MRVPVSSYSA-N -1 0 382.663 2.588 50 0 GFAARM CS(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000299338359 563382282 /nfs/dbraw/zinc/38/22/82/563382282.db2.gz FTDAEVZVCXJBFP-VQISRLSMSA-N -1 0 385.869 2.601 50 0 GFAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)sc2c1 ZINC000011615473 570235923 /nfs/dbraw/zinc/23/59/23/570235923.db2.gz ZSIMJJSXSMHWTJ-UHFFFAOYSA-N -1 0 388.474 2.596 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000236584750 570245336 /nfs/dbraw/zinc/24/53/36/570245336.db2.gz BOGARULPOPTJRJ-UXHICEINSA-N -1 0 398.434 2.994 50 0 GFAARM CCOC(=O)CSc1n[n-]c2nc3c(c(=O)n21)[C@](C)(CC)Cc1ccccc1-3 ZINC000101170577 570255728 /nfs/dbraw/zinc/25/57/28/570255728.db2.gz QNGJMQMZPDVAKP-HXUWFJFHSA-N -1 0 398.488 2.964 50 0 GFAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002502211 570288947 /nfs/dbraw/zinc/28/89/47/570288947.db2.gz AKFSMLYJKZHSPM-ZCFHBRKKSA-N -1 0 375.424 2.988 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000015953808 570300702 /nfs/dbraw/zinc/30/07/02/570300702.db2.gz IBCZDZZYWPWXAW-BBATYDOGSA-N -1 0 389.448 2.967 50 0 GFAARM CCCOc1cccc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)c1 ZINC000034765321 570333695 /nfs/dbraw/zinc/33/36/95/570333695.db2.gz WCBHRRPSDRIFJD-UHFFFAOYSA-N -1 0 393.447 2.677 50 0 GFAARM COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000033446317 570350169 /nfs/dbraw/zinc/35/01/69/570350169.db2.gz CKSSKKOBJMOSRS-HJDVLLJCSA-N -1 0 396.443 2.692 50 0 GFAARM CC(C)[C@@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004017381 570354523 /nfs/dbraw/zinc/35/45/23/570354523.db2.gz AKFSMLYJKZHSPM-PWKSQPCKSA-N -1 0 375.424 2.988 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N(CCc2ccccc2)c2cnccn2)cc1 ZINC000004110335 570357617 /nfs/dbraw/zinc/35/76/17/570357617.db2.gz BHAOTZRHRMOWBV-UHFFFAOYSA-N -1 0 396.472 2.933 50 0 GFAARM C[C@@H]1CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])C[C@@H](C)O1 ZINC000004297032 570366057 /nfs/dbraw/zinc/36/60/57/570366057.db2.gz WRAPDKKJWYYHSI-ZIAGYGMSSA-N -1 0 390.461 2.799 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N[C@@H](C)[C@@H]3CCCO3)cc2)c(C)c1CCC(=O)[O-] ZINC000237481657 570371975 /nfs/dbraw/zinc/37/19/75/570371975.db2.gz ACVVRMGSLVHFKT-LIRRHRJNSA-N -1 0 385.464 2.804 50 0 GFAARM O=C([O-])c1ccccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000004390490 570373043 /nfs/dbraw/zinc/37/30/43/570373043.db2.gz XNBOWJMBIZFWLT-UHFFFAOYSA-N -1 0 379.338 2.761 50 0 GFAARM C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000237628356 570384958 /nfs/dbraw/zinc/38/49/58/570384958.db2.gz HGGONKLSTKVCMH-GQIGUUNPSA-N -1 0 382.460 2.852 50 0 GFAARM CC(C)[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000005092755 570428892 /nfs/dbraw/zinc/42/88/92/570428892.db2.gz IEWONSUFAFFPGT-DKGMDFAASA-N -1 0 390.823 2.929 50 0 GFAARM CCc1ccc(NC(=O)[C@H](Cc2ccc(OC)cc2OC)c2nnn[n-]2)cc1 ZINC000005444926 570439882 /nfs/dbraw/zinc/43/98/82/570439882.db2.gz TZTPJWKGWKKMMI-QGZVFWFLSA-N -1 0 381.436 2.744 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H]1OCCc2ccccc21 ZINC000268890025 570442089 /nfs/dbraw/zinc/44/20/89/570442089.db2.gz JHZAPNACRUYFMX-WOJBJXKFSA-N -1 0 378.428 2.984 50 0 GFAARM C[C@H]1Oc2ccccc2N(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)C1=O ZINC000268899943 570451408 /nfs/dbraw/zinc/45/14/08/570451408.db2.gz SGOIQINCQRITGG-ZBFHGGJFSA-N -1 0 382.416 2.523 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000268944370 570489087 /nfs/dbraw/zinc/48/90/87/570489087.db2.gz LYHLCOAGOHEJGD-KRWDZBQOSA-N -1 0 399.834 2.521 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000268959626 570493900 /nfs/dbraw/zinc/49/39/00/570493900.db2.gz XGYOKSGNVWCOIR-APWZRJJASA-N -1 0 378.428 2.616 50 0 GFAARM COc1ccc(C(=O)N[C@]2(C(F)(F)F)[N-]c3nc4ccccc4n3C2=O)cc1 ZINC000005209965 570507343 /nfs/dbraw/zinc/50/73/43/570507343.db2.gz AFPSQQWYWOLPLW-KRWDZBQOSA-N -1 0 390.321 2.799 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(OC)c1 ZINC000007708626 570512943 /nfs/dbraw/zinc/51/29/43/570512943.db2.gz WJAJNVRRRFGECR-UHFFFAOYSA-N -1 0 376.434 2.631 50 0 GFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 ZINC000001110182 570534892 /nfs/dbraw/zinc/53/48/92/570534892.db2.gz UMIUPTYUPYTYTA-MSOLQXFVSA-N -1 0 381.432 2.841 50 0 GFAARM COC(=O)c1cc(Br)ccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008746195 570540523 /nfs/dbraw/zinc/54/05/23/570540523.db2.gz WDEQEFKZFFXDOM-MNOVXSKESA-N -1 0 382.210 2.841 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC ZINC000005329183 570554640 /nfs/dbraw/zinc/55/46/40/570554640.db2.gz KCVJOJVSCOLDRM-UHFFFAOYSA-N -1 0 376.434 2.631 50 0 GFAARM COc1ccc(C[C@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[n-]2)c(OC)c1 ZINC000009434366 570557918 /nfs/dbraw/zinc/55/79/18/570557918.db2.gz KBCFDEUEDFREPD-KRWDZBQOSA-N -1 0 381.436 2.799 50 0 GFAARM COc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CCO3)c1 ZINC000006779692 570587665 /nfs/dbraw/zinc/58/76/65/570587665.db2.gz ZOFYHBSRKQPWRC-UHFFFAOYSA-N -1 0 396.852 2.895 50 0 GFAARM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000005525116 570624757 /nfs/dbraw/zinc/62/47/57/570624757.db2.gz FVUGRJYVDVXNIE-IOASZLSFSA-N -1 0 399.756 2.839 50 0 GFAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[N@@H+]3CCC[C@H](C(=O)[O-])C3)c2c1 ZINC000036353981 570635257 /nfs/dbraw/zinc/63/52/57/570635257.db2.gz OQFYKPKKUCEUSB-YVEFUNNKSA-N -1 0 387.436 2.685 50 0 GFAARM O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000005579548 570659145 /nfs/dbraw/zinc/65/91/45/570659145.db2.gz HIVQQPABDKLREM-KPKJPENVSA-N -1 0 380.429 2.929 50 0 GFAARM Cn1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)ccc1=O ZINC000065119432 570703046 /nfs/dbraw/zinc/70/30/46/570703046.db2.gz PBQQFBZVLMYURY-UHFFFAOYSA-N -1 0 381.866 2.963 50 0 GFAARM Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000012990912 570738575 /nfs/dbraw/zinc/73/85/75/570738575.db2.gz PTBLORNJDODEPV-UHFFFAOYSA-N -1 0 393.325 2.639 50 0 GFAARM CCc1nnc(-c2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)o2)o1 ZINC000065246241 570747107 /nfs/dbraw/zinc/74/71/07/570747107.db2.gz FSBQNDRKTHUAAX-UHFFFAOYSA-N -1 0 379.394 2.710 50 0 GFAARM CCn1ncc([C@@H]2CC(c3c([O-])[nH]c(=O)sc3=O)=Nc3ccccc3N2)c1C ZINC000036621396 570765216 /nfs/dbraw/zinc/76/52/16/570765216.db2.gz IUEHLAOWUIEYTA-AWEZNQCLSA-N -1 0 397.460 2.705 50 0 GFAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2ccc(Cl)cc2F)cc2c(=O)[nH]nc1-2 ZINC000524734478 570771479 /nfs/dbraw/zinc/77/14/79/570771479.db2.gz JNMJUQFVAWPQAT-ZDUSSCGKSA-N -1 0 393.758 2.732 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CC12CCOCC2)c1ccc(Br)cc1 ZINC000170066334 570799246 /nfs/dbraw/zinc/79/92/46/570799246.db2.gz ZFCBUZYFESATAV-ZIAGYGMSSA-N -1 0 382.254 2.898 50 0 GFAARM CN1C(=O)CC[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000299740588 570823824 /nfs/dbraw/zinc/82/38/24/570823824.db2.gz AHOJJRLGFLGDCZ-INWMFGNUSA-N -1 0 398.381 2.548 50 0 GFAARM CC[NH+]1CCN(Cc2cc(=O)n3nc(-c4ccc(C(C)(C)C)cc4)[n-]c3n2)CC1 ZINC000101747731 570832214 /nfs/dbraw/zinc/83/22/14/570832214.db2.gz QKJSQMAERPXHJO-UHFFFAOYSA-N -1 0 394.523 2.520 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000007361328 570833799 /nfs/dbraw/zinc/83/37/99/570833799.db2.gz CXPLMCRWIHNLMT-UHFFFAOYSA-N -1 0 390.461 2.741 50 0 GFAARM O=C(N[C@H](Cc1ccccc1)C(=O)[N-]OC[C@@H]1CCOC1)OCc1ccccc1 ZINC000170607695 570864729 /nfs/dbraw/zinc/86/47/29/570864729.db2.gz NEGGOQDKIWGWFP-WOJBJXKFSA-N -1 0 398.459 2.608 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1N1CCCC1=O ZINC000012560868 570865222 /nfs/dbraw/zinc/86/52/22/570865222.db2.gz RDVMLWQARCFQEV-UHFFFAOYSA-N -1 0 382.388 2.901 50 0 GFAARM O=C(C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)[N-]1)n1ccnc1 ZINC000102907406 570871449 /nfs/dbraw/zinc/87/14/49/570871449.db2.gz GBKYWIZQNQBKBT-UHFFFAOYSA-N -1 0 385.832 2.928 50 0 GFAARM Cc1nc2ncccn2c1C(=O)N1CCC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072174551 570878084 /nfs/dbraw/zinc/87/80/84/570878084.db2.gz LABDIZDDTHITHM-MRXNPFEDSA-N -1 0 378.432 2.831 50 0 GFAARM CC1(C)CC(=O)C(C(=O)Nc2cccc(Cl)c2N2CCOCC2)=C([O-])C1 ZINC000170625062 570880909 /nfs/dbraw/zinc/88/09/09/570880909.db2.gz VEVIRLYLITWVIX-UHFFFAOYSA-N -1 0 378.856 2.690 50 0 GFAARM O=C(Cc1ccccc1)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1 ZINC000097151793 570900188 /nfs/dbraw/zinc/90/01/88/570900188.db2.gz DJQJYQXYQNNFHQ-UHFFFAOYSA-N -1 0 384.439 2.817 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 ZINC000015434335 570935316 /nfs/dbraw/zinc/93/53/16/570935316.db2.gz WFQCCEBBLGEAFK-UHFFFAOYSA-N -1 0 397.456 2.821 50 0 GFAARM COc1ccc2c(C)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc2c1C ZINC000002106344 570948632 /nfs/dbraw/zinc/94/86/32/570948632.db2.gz CESWSMFUABTAQM-IBGZPJMESA-N -1 0 395.411 2.903 50 0 GFAARM COC(=O)c1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001322877 570958854 /nfs/dbraw/zinc/95/88/54/570958854.db2.gz LPFOJAZBLLAXDA-UHFFFAOYSA-N -1 0 378.384 2.692 50 0 GFAARM COCCNC(=O)CCCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000004793174 570993095 /nfs/dbraw/zinc/99/30/95/570993095.db2.gz HMUITIYCKHIUNO-UHFFFAOYSA-N -1 0 377.491 2.817 50 0 GFAARM CCn1c(=O)c2ccc(C(=O)N[C@H]3CCCCC[C@@H]3OC)cc2[n-]c1=S ZINC000170653346 570999437 /nfs/dbraw/zinc/99/94/37/570999437.db2.gz UZPXGKVIPMIQIL-HOCLYGCPSA-N -1 0 375.494 2.783 50 0 GFAARM Cc1noc(C)c1COc1cccc(C(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000170658218 571000566 /nfs/dbraw/zinc/00/05/66/571000566.db2.gz IWNGKPCFFWFMST-UHFFFAOYSA-N -1 0 378.450 2.873 50 0 GFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2cc(F)c(F)cc21 ZINC000046071393 571018839 /nfs/dbraw/zinc/01/88/39/571018839.db2.gz FDCQLWXWXOMHIJ-UHFFFAOYSA-N -1 0 383.372 2.813 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c[nH]1 ZINC000078876650 571037315 /nfs/dbraw/zinc/03/73/15/571037315.db2.gz DVVZXRKREFLCGK-UHFFFAOYSA-N -1 0 381.154 2.554 50 0 GFAARM C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000002331072 600024223 /nfs/dbraw/zinc/02/42/23/600024223.db2.gz IOZCMLNKCHMITF-AWEZNQCLSA-N -1 0 376.453 2.545 50 0 GFAARM Cc1nn(C[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2O)c(C)c1Br ZINC000002794809 654438669 /nfs/dbraw/zinc/43/86/69/654438669.db2.gz VOIYPLMQNVLASY-MRVPVSSYSA-N -1 0 396.241 2.941 50 0 GFAARM CC(=O)NC([N-]c1sc2c(c1C(N)=O)CCC2)(C(F)(F)F)C(F)(F)F ZINC000004177289 654442907 /nfs/dbraw/zinc/44/29/07/654442907.db2.gz JDQXWRXWBMUNAS-UHFFFAOYSA-N -1 0 389.321 2.705 50 0 GFAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]Cc3ccccc3Cl)c2=O)s1 ZINC000008589453 654485821 /nfs/dbraw/zinc/48/58/21/654485821.db2.gz PHEIQIWFHMSFOH-UHFFFAOYSA-N -1 0 383.882 2.505 50 0 GFAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3)s2)c1C ZINC000040266601 654621330 /nfs/dbraw/zinc/62/13/30/654621330.db2.gz UNKNUTYUECXTJV-UHFFFAOYSA-N -1 0 376.463 2.655 50 0 GFAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C=Cc2cncc(C)c2)c1 ZINC000132647341 654944543 /nfs/dbraw/zinc/94/45/43/654944543.db2.gz IVMJBFRGNNSZMZ-ZZXKWVIFSA-N -1 0 378.837 2.764 50 0 GFAARM Cn1c(=O)c(=Cc2cc(Cl)cc(Cl)c2[O-])sc1=CC(=O)c1ccco1 ZINC000254765851 655435736 /nfs/dbraw/zinc/43/57/36/655435736.db2.gz MISIRQUKHQGFSL-UHFFFAOYSA-N -1 0 396.251 2.544 50 0 GFAARM Cc1nc(/C=C\C(=O)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cs1 ZINC000606442282 677674375 /nfs/dbraw/zinc/67/43/75/677674375.db2.gz KVPMXAQQNLIKNL-ZBJFTSOASA-N -1 0 398.893 2.947 50 0 GFAARM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)N1CCOCC1 ZINC000001057602 206347264 /nfs/dbraw/zinc/34/72/64/206347264.db2.gz OJUIULCGMHBDJW-UHFFFAOYSA-N -1 0 380.853 2.613 50 0 GFAARM Cc1n[n-]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc1=O ZINC000001281517 206371234 /nfs/dbraw/zinc/37/12/34/206371234.db2.gz GWORIOXKLRHDLF-UHFFFAOYSA-N -1 0 378.763 2.876 50 0 GFAARM O=C([O-])c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000001165214 206362048 /nfs/dbraw/zinc/36/20/48/206362048.db2.gz VCRMJERRCBZZNP-UHFFFAOYSA-N -1 0 388.445 2.812 50 0 GFAARM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002094589 206398393 /nfs/dbraw/zinc/39/83/93/206398393.db2.gz URZDPNCTZDVGKL-PXAZEXFGSA-N -1 0 387.432 2.809 50 0 GFAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002566275 206421981 /nfs/dbraw/zinc/42/19/81/206421981.db2.gz XINBRUNUJFZFGH-OALUTQOASA-N -1 0 398.459 2.750 50 0 GFAARM COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000002999558 206452026 /nfs/dbraw/zinc/45/20/26/206452026.db2.gz CKSSKKOBJMOSRS-LJLZWOEMSA-N -1 0 396.443 2.692 50 0 GFAARM CCOc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000003265521 206464722 /nfs/dbraw/zinc/46/47/22/206464722.db2.gz BQUJNFAUBARJEM-GOSISDBHSA-N -1 0 388.445 2.541 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)cc1 ZINC000004022995 206497948 /nfs/dbraw/zinc/49/79/48/206497948.db2.gz UNKCVWXYAWWYRG-UHFFFAOYSA-N -1 0 389.477 2.832 50 0 GFAARM O=C([O-])c1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000005078026 206590205 /nfs/dbraw/zinc/59/02/05/206590205.db2.gz BAQPJVVGISXFEK-UHFFFAOYSA-N -1 0 389.824 2.745 50 0 GFAARM O=C(Cc1ccccc1)Nc1cc(=O)nc2[n-]c(COc3ccccc3)nn21 ZINC000009087661 206774460 /nfs/dbraw/zinc/77/44/60/206774460.db2.gz OUXYXDOQWANXCR-UHFFFAOYSA-N -1 0 375.388 2.590 50 0 GFAARM O=S(=O)([N-]c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1Cl ZINC000010518327 206814099 /nfs/dbraw/zinc/81/40/99/206814099.db2.gz OWKYBDJKOWRYRM-UHFFFAOYSA-N -1 0 386.882 2.582 50 0 GFAARM COc1cc2nc(O)c(C(=O)NCc3ccc(Cl)cc3)c([O-])c2cc1OC ZINC000018098333 207092068 /nfs/dbraw/zinc/09/20/68/207092068.db2.gz WXJOZLHDLRCHQX-UHFFFAOYSA-N -1 0 388.807 2.834 50 0 GFAARM Cc1cc(C)nc(-n2[n-]c3[nH]c(C)c(Cc4ccccc4Cl)c(=O)c3c2=O)n1 ZINC000018063671 207092698 /nfs/dbraw/zinc/09/26/98/207092698.db2.gz GTOFXEYVXAWCSR-UHFFFAOYSA-N -1 0 395.850 2.967 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1 ZINC000023125658 207269911 /nfs/dbraw/zinc/26/99/11/207269911.db2.gz XYLVGSUPRTWEDO-IAGOWNOFSA-N -1 0 384.367 2.649 50 0 GFAARM NC(=O)CCOc1ccccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000040139101 207346901 /nfs/dbraw/zinc/34/69/01/207346901.db2.gz ZEEZRFNMOHPOQE-UHFFFAOYSA-N -1 0 399.266 2.504 50 0 GFAARM COc1ccc(CNC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)cc1C(=O)[O-] ZINC000299748504 207664552 /nfs/dbraw/zinc/66/45/52/207664552.db2.gz HGRWHCWBUVMLBZ-IBGZPJMESA-N -1 0 396.443 2.546 50 0 GFAARM Cc1[nH]c2c(cccc2C(=O)N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)c1C ZINC000067769674 207906415 /nfs/dbraw/zinc/90/64/15/207906415.db2.gz PWGWTNRQOFNISF-CQSZACIVSA-N -1 0 381.436 2.627 50 0 GFAARM CC(=O)N1CCC2(C[C@@H](C(=O)[O-])N(C(=O)c3ccc(Cl)cc3C)C2)CC1 ZINC000072412308 208019048 /nfs/dbraw/zinc/01/90/48/208019048.db2.gz RDOMLEJZBFXCFY-INIZCTEOSA-N -1 0 378.856 2.576 50 0 GFAARM Cn1c(CCC(=O)N2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)nc2cccnc21 ZINC000072410965 208019437 /nfs/dbraw/zinc/01/94/37/208019437.db2.gz BXECFUJQJQXYSF-MRXNPFEDSA-N -1 0 392.459 2.690 50 0 GFAARM O=C([O-])c1cc2ncc(-c3cc(NCc4cccnc4)nc4[nH]ccc43)cn2n1 ZINC000072418746 208020083 /nfs/dbraw/zinc/02/00/83/208020083.db2.gz NOFYGXHTQDTAAK-UHFFFAOYSA-N -1 0 385.387 2.978 50 0 GFAARM FC(F)(F)c1cccc(-c2noc(-c3ccc(NCc4nnn[n-]4)nc3)n2)c1 ZINC000072481550 208033000 /nfs/dbraw/zinc/03/30/00/208033000.db2.gz OQHWTBZLPZZFJU-UHFFFAOYSA-N -1 0 388.313 2.943 50 0 GFAARM Cn1c2ccccc2nc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1=O ZINC000095365379 208164544 /nfs/dbraw/zinc/16/45/44/208164544.db2.gz KARHQVOOOJXIDO-INIZCTEOSA-N -1 0 391.427 2.652 50 0 GFAARM O=C([O-])[C@@H](c1ccsc1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000095383936 208171879 /nfs/dbraw/zinc/17/18/79/208171879.db2.gz LIPICXBVOLDXHZ-SECBINFHSA-N -1 0 378.401 2.566 50 0 GFAARM COc1ccc(Cl)cc1[C@H](C(=O)[O-])N1CCN(Cc2ccncc2)CC1 ZINC000095352487 208156900 /nfs/dbraw/zinc/15/69/00/208156900.db2.gz IFEIJURTHVXJGM-GOSISDBHSA-N -1 0 375.856 2.687 50 0 GFAARM COc1cc(CNC(=O)c2ccc(C(=O)[O-])cc2)ccc1OC[C@@H]1CCCO1 ZINC000095389796 208177055 /nfs/dbraw/zinc/17/70/55/208177055.db2.gz XJBQIZVVOAUPLR-KRWDZBQOSA-N -1 0 385.416 2.881 50 0 GFAARM O=C([O-])[C@@H](CNC(=O)c1ccc(Cn2cccn2)cc1)Cc1ccccc1F ZINC000095425384 208180531 /nfs/dbraw/zinc/18/05/31/208180531.db2.gz XXCGFLGFBLMMOT-GOSISDBHSA-N -1 0 381.407 2.744 50 0 GFAARM C[C@](NC(=O)CCCc1nc(C2CC2)no1)(C(=O)[O-])c1cc(F)ccc1F ZINC000095424522 208181369 /nfs/dbraw/zinc/18/13/69/208181369.db2.gz IMWHOKWARRDYBS-GOSISDBHSA-N -1 0 379.363 2.664 50 0 GFAARM O=C([O-])[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1cc(F)ccc1F ZINC000095424530 208181378 /nfs/dbraw/zinc/18/13/78/208181378.db2.gz DGCJSUCWLUQAJR-ZDUSSCGKSA-N -1 0 396.781 2.564 50 0 GFAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cn1 ZINC000095455486 208185681 /nfs/dbraw/zinc/18/56/81/208185681.db2.gz YOFCMWZNMPWHKD-UHFFFAOYSA-N -1 0 386.433 2.813 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)c1 ZINC000101260817 208388808 /nfs/dbraw/zinc/38/88/08/208388808.db2.gz JPSSDIFFXCRXLR-HOTGVXAUSA-N -1 0 386.795 2.855 50 0 GFAARM CCn1cc(C=CC([O-])=C2C(=O)[N-]C(=O)N(CCCOC)C2=O)c2ccccc21 ZINC000101284174 208388994 /nfs/dbraw/zinc/38/89/94/208388994.db2.gz ZJEZHIGOCVCQQC-IFHDMOFGSA-N -1 0 397.431 2.601 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1 ZINC000101262581 208389380 /nfs/dbraw/zinc/38/93/80/208389380.db2.gz SPRBHJYLYALAMD-RBUKOAKNSA-N -1 0 392.415 2.690 50 0 GFAARM CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON=C(c4ccccc4Cl)[C@@H]3C2=O)cc1 ZINC000101360735 208391956 /nfs/dbraw/zinc/39/19/56/208391956.db2.gz XHJLRDJHRLTIKP-DOTOQJQBSA-N -1 0 398.802 2.809 50 0 GFAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1cccs1 ZINC000237969621 208467818 /nfs/dbraw/zinc/46/78/18/208467818.db2.gz VLVGCUXOAUHIFR-MFKMUULPSA-N -1 0 394.399 2.711 50 0 GFAARM COc1ccc2c(CC(=O)NCC3CCC(C(=O)[O-])CC3)cc(=O)oc2c1C ZINC000002107721 208501590 /nfs/dbraw/zinc/50/15/90/208501590.db2.gz QBTUAXVTKIGPIW-UHFFFAOYSA-N -1 0 387.432 2.660 50 0 GFAARM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nnc(C(C)C)s1 ZINC000028248766 208944555 /nfs/dbraw/zinc/94/45/55/208944555.db2.gz NZEFUSTXNZIWNK-UHFFFAOYSA-N -1 0 384.483 2.819 50 0 GFAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)cc1 ZINC000006316183 220928140 /nfs/dbraw/zinc/92/81/40/220928140.db2.gz WHOGBKSJAKJHNN-UHFFFAOYSA-N -1 0 388.445 2.556 50 0 GFAARM COC(=O)C[C@H](c1cnn(C(C)C)c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096118034 209010232 /nfs/dbraw/zinc/01/02/32/209010232.db2.gz DGGRGFBCTXKHKK-CYBMUJFWSA-N -1 0 390.827 2.526 50 0 GFAARM COC(=O)C[C@@H](c1ccc(F)c(Cl)c1)c1c([O-])nc2ccccn2c1=O ZINC000096117547 209010986 /nfs/dbraw/zinc/01/09/86/209010986.db2.gz NRRUORWZMJWNTI-NSHDSACASA-N -1 0 376.771 2.888 50 0 GFAARM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)c1 ZINC000058420863 136155423 /nfs/dbraw/zinc/15/54/23/136155423.db2.gz XAYAQPTZRFESHW-UHFFFAOYSA-N -1 0 383.372 2.819 50 0 GFAARM COCCCOC1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000072311773 222224607 /nfs/dbraw/zinc/22/46/07/222224607.db2.gz FEMPEWVLMCOGMD-UHFFFAOYSA-N -1 0 378.650 2.686 50 0 GFAARM Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCO[C@H](C(=O)[O-])C4)cc3)o2)cc1 ZINC000408513437 534222883 /nfs/dbraw/zinc/22/28/83/534222883.db2.gz FOLLHTUAYVJHHL-KRWDZBQOSA-N -1 0 393.399 2.638 50 0 GFAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000236830336 519483264 /nfs/dbraw/zinc/48/32/64/519483264.db2.gz SZJPSLQMJNLSKZ-VQTJNVASSA-N -1 0 378.428 2.763 50 0 GFAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)[C@H]1Cc3ccccc3O1)CC2 ZINC000277783927 523037489 /nfs/dbraw/zinc/03/74/89/523037489.db2.gz XUTZYLHUQNBLED-OXQOHEQNSA-N -1 0 397.427 2.608 50 0 GFAARM CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)nc2)C[C@H]1C(=O)[O-] ZINC000169725751 534838464 /nfs/dbraw/zinc/83/84/64/534838464.db2.gz KXAFYYVYZFPVIP-NSHDSACASA-N -1 0 375.347 2.611 50 0 GFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000269024330 525816586 /nfs/dbraw/zinc/81/65/86/525816586.db2.gz JJYBYAMOJHPLFQ-QGZVFWFLSA-N -1 0 399.896 2.750 50 0 GFAARM CCOc1ccc(-c2ccnc(N3CCC(CNC(C)=O)CC3)n2)cc1C(=O)[O-] ZINC000077555364 535692339 /nfs/dbraw/zinc/69/23/39/535692339.db2.gz QIBODEGGXGSHOB-UHFFFAOYSA-N -1 0 398.463 2.593 50 0 GFAARM CCN1CCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2F)CC1 ZINC000236996684 535744715 /nfs/dbraw/zinc/74/47/15/535744715.db2.gz KBLSURSIQNGUGK-LJQANCHMSA-N -1 0 385.439 2.523 50 0 GFAARM CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000003394757 551093275 /nfs/dbraw/zinc/09/32/75/551093275.db2.gz NFYOXOIDASVLEH-VIFPVBQESA-N -1 0 391.820 2.843 50 0 GFAARM COc1ccc(C(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)cc1 ZINC000004853710 551095169 /nfs/dbraw/zinc/09/51/69/551095169.db2.gz KVNJFBQWAYGEML-UHFFFAOYSA-N -1 0 380.422 2.921 50 0 GFAARM CCC1C(=O)N=C(SCC(=O)Nc2ccc(Br)cc2)N=C1[O-] ZINC000009335018 551103534 /nfs/dbraw/zinc/10/35/34/551103534.db2.gz VGEBTVMHOOUZOB-UHFFFAOYSA-N -1 0 384.255 2.531 50 0 GFAARM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3sc4c([n-]cnc4=O)c3c2)C1 ZINC000045796116 551147883 /nfs/dbraw/zinc/14/78/83/551147883.db2.gz PBKPCUSRCPZMIY-QWRGUYRKSA-N -1 0 377.491 2.804 50 0 GFAARM NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000065088503 551185923 /nfs/dbraw/zinc/18/59/23/551185923.db2.gz OHVWPUSQOULYJC-UHFFFAOYSA-N -1 0 397.656 2.936 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)C[C@@H]1CCCO1 ZINC000237953276 553083810 /nfs/dbraw/zinc/08/38/10/553083810.db2.gz GAAUVGANZHICQS-WFASDCNBSA-N -1 0 395.253 2.611 50 0 GFAARM O=C([O-])C1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000238028043 553085014 /nfs/dbraw/zinc/08/50/14/553085014.db2.gz VXJDWBISRMAGPY-LBPRGKRZSA-N -1 0 385.247 2.670 50 0 GFAARM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000252506873 553149559 /nfs/dbraw/zinc/14/95/59/553149559.db2.gz WCGRFTUXOLRHOL-UHFFFAOYSA-N -1 0 375.233 2.902 50 0 GFAARM C[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000668293230 565638825 /nfs/dbraw/zinc/63/88/25/565638825.db2.gz WSZGOPQVSJKABJ-KSYCFECVSA-N -1 0 396.281 2.891 50 0 GFAARM COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(=O)[n-]2)cc1OC ZINC000011990956 570227566 /nfs/dbraw/zinc/22/75/66/570227566.db2.gz XECWFCDUZLBRFT-UHFFFAOYSA-N -1 0 398.444 2.580 50 0 GFAARM CCOC(=O)Cc1cc(=O)n2[n-]c(COC)c(-c3ccc(Cl)cc3)c2n1 ZINC000101550596 570283881 /nfs/dbraw/zinc/28/38/81/570283881.db2.gz LJMDZRNXCSMVCB-UHFFFAOYSA-N -1 0 375.812 2.595 50 0 GFAARM COP(=O)(OC)Oc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002516830 570289629 /nfs/dbraw/zinc/28/96/29/570289629.db2.gz SPVKDJVZEGSJSS-ZDUSSCGKSA-N -1 0 389.341 2.987 50 0 GFAARM CN(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000108048894 570311720 /nfs/dbraw/zinc/31/17/20/570311720.db2.gz KJUCMAIHCZXBAY-LJQANCHMSA-N -1 0 388.489 2.941 50 0 GFAARM O=C(CCC1=Nc2ccccc2S(=O)(=O)[N-]1)NCCc1c[nH]c2ccccc12 ZINC000021880486 570315788 /nfs/dbraw/zinc/31/57/88/570315788.db2.gz WFPRAIYNCDSWOD-UHFFFAOYSA-N -1 0 396.472 2.629 50 0 GFAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c(C)cc1Br ZINC000116709713 570345278 /nfs/dbraw/zinc/34/52/78/570345278.db2.gz QHZMIOOIJOEBHB-UHFFFAOYSA-N -1 0 383.267 2.966 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000004863251 570350588 /nfs/dbraw/zinc/35/05/88/570350588.db2.gz HWABDGNIOJVAKM-MJGOQNOKSA-N -1 0 391.427 2.601 50 0 GFAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c(OC)c1OC ZINC000004012431 570354619 /nfs/dbraw/zinc/35/46/19/570354619.db2.gz NEEYWOPERFZLCV-DOTOQJQBSA-N -1 0 382.416 2.882 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)OC[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000004107907 570357687 /nfs/dbraw/zinc/35/76/87/570357687.db2.gz RBRROENIHDLYLJ-HNNXBMFYSA-N -1 0 392.458 2.523 50 0 GFAARM Cc1c(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cnn1-c1ccccc1Cl ZINC000237731396 570393068 /nfs/dbraw/zinc/39/30/68/570393068.db2.gz BWDCGLRUEMSMBO-CQSZACIVSA-N -1 0 391.855 2.930 50 0 GFAARM Cc1nc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)nn1-c1ccccc1Cl ZINC000237826961 570403018 /nfs/dbraw/zinc/40/30/18/570403018.db2.gz CAIVADIFEMSQKK-ZDUSSCGKSA-N -1 0 376.844 2.946 50 0 GFAARM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1OC ZINC000004954404 570419839 /nfs/dbraw/zinc/41/98/39/570419839.db2.gz FNNFAEUEMHYZNE-AWEZNQCLSA-N -1 0 389.404 2.667 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N3CCOCC34CCC4)cc2)c(C)c1CCC(=O)[O-] ZINC000191602406 570420915 /nfs/dbraw/zinc/42/09/15/570420915.db2.gz CUMDNWDBUAIUHY-UHFFFAOYSA-N -1 0 397.475 2.901 50 0 GFAARM O=C([O-])c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000005049642 570426170 /nfs/dbraw/zinc/42/61/70/570426170.db2.gz NUMNLSPIGAJFCF-UHFFFAOYSA-N -1 0 388.445 2.812 50 0 GFAARM Cc1c(O[C@@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000011866836 570441744 /nfs/dbraw/zinc/44/17/44/570441744.db2.gz FNADEWROTREHBE-GUYCJALGSA-N -1 0 399.443 2.823 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000268890017 570442203 /nfs/dbraw/zinc/44/22/03/570442203.db2.gz JHZAPNACRUYFMX-UXHICEINSA-N -1 0 378.428 2.984 50 0 GFAARM Cc1cc(O)c2c(C)c(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(=O)oc2c1 ZINC000238937447 570455473 /nfs/dbraw/zinc/45/54/73/570455473.db2.gz VLOGMKZYJPGCIT-HDJSIYSDSA-N -1 0 387.432 2.665 50 0 GFAARM O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC1(C(=O)[O-])CCCCC1 ZINC000072277008 570462074 /nfs/dbraw/zinc/46/20/74/570462074.db2.gz XBNMHGUTEALCEL-UHFFFAOYSA-N -1 0 376.497 2.613 50 0 GFAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccnc2)c1 ZINC000133960312 570468480 /nfs/dbraw/zinc/46/84/80/570468480.db2.gz MRRBWDZMAUFKGK-KBPBESRZSA-N -1 0 378.837 2.546 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000268944442 570488937 /nfs/dbraw/zinc/48/89/37/570488937.db2.gz MBEYIXSPAJKZCP-SQNIBIBYSA-N -1 0 379.412 2.599 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)cc1OC ZINC000268948288 570489486 /nfs/dbraw/zinc/48/94/86/570489486.db2.gz RDTDHBPDGSFUHU-JXFKEZNVSA-N -1 0 399.443 2.956 50 0 GFAARM O=C([O-])CSc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000005818831 570500760 /nfs/dbraw/zinc/50/07/60/570500760.db2.gz CBILCVADVNQLRJ-UHFFFAOYSA-N -1 0 394.044 2.625 50 0 GFAARM Cc1cc(Br)c([O-])c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000064663105 570512819 /nfs/dbraw/zinc/51/28/19/570512819.db2.gz KZCLTZVENHDLKK-UHFFFAOYSA-N -1 0 390.237 2.906 50 0 GFAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccn(Cc2ccc(F)cc2Cl)n1 ZINC000002804994 570517843 /nfs/dbraw/zinc/51/78/43/570517843.db2.gz OEDWILUJNKPNEP-UHFFFAOYSA-N -1 0 383.836 2.567 50 0 GFAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000006657838 570522190 /nfs/dbraw/zinc/52/21/90/570522190.db2.gz LHAYBVLNYLSXFS-UHFFFAOYSA-N -1 0 375.384 2.979 50 0 GFAARM O=C(CCCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NC1CCCC1 ZINC000002975256 570524940 /nfs/dbraw/zinc/52/49/40/570524940.db2.gz ZATQACJPQWDESS-UHFFFAOYSA-N -1 0 375.450 2.627 50 0 GFAARM CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCOCC3)c([O-])n2n1 ZINC000022854302 570556865 /nfs/dbraw/zinc/55/68/65/570556865.db2.gz BVEKBEDQUPXVOW-CQSZACIVSA-N -1 0 380.420 2.759 50 0 GFAARM O=C([O-])C1CCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000009426937 570557855 /nfs/dbraw/zinc/55/78/55/570557855.db2.gz MCATYWYBZHIWMS-LJQANCHMSA-N -1 0 394.427 2.907 50 0 GFAARM O=C([O-])C[C@]1(C(=O)NCc2ccccc2)CC(C2=Cc3ccccc3OC2)=NO1 ZINC000006754783 570570897 /nfs/dbraw/zinc/57/08/97/570570897.db2.gz MTMUBYNLZMGYEN-QFIPXVFZSA-N -1 0 392.411 2.769 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CCO3)cc1 ZINC000006779694 570587391 /nfs/dbraw/zinc/58/73/91/570587391.db2.gz HDBYKTZWZWNIOG-UHFFFAOYSA-N -1 0 396.852 2.895 50 0 GFAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1 ZINC000064919566 570590521 /nfs/dbraw/zinc/59/05/21/570590521.db2.gz SYAOIVPHWDGDSX-UHFFFAOYSA-N -1 0 392.502 2.916 50 0 GFAARM O=C([O-])c1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccco2)CC3=O)c1 ZINC000064959261 570614613 /nfs/dbraw/zinc/61/46/13/570614613.db2.gz HJAFHJFZFLLXMR-LBPRGKRZSA-N -1 0 392.367 2.831 50 0 GFAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@@H+]3CCC[C@H](C(=O)[O-])C3)c2c1 ZINC000036353979 570635092 /nfs/dbraw/zinc/63/50/92/570635092.db2.gz OQFYKPKKUCEUSB-SJCJKPOMSA-N -1 0 387.436 2.685 50 0 GFAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ccccc3)CC2)c2cc(C(=O)[O-])ccc21 ZINC000036360432 570642299 /nfs/dbraw/zinc/64/22/99/570642299.db2.gz DFEVJGJBDOKMGK-FQEVSTJZSA-N -1 0 393.443 2.824 50 0 GFAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)c1ccc2c(c1)CCC2 ZINC000005573446 570658657 /nfs/dbraw/zinc/65/86/57/570658657.db2.gz KFPMRVCUPJPCIB-CYBMUJFWSA-N -1 0 387.457 2.975 50 0 GFAARM Cc1sc2nc(C)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(=O)n2c1C ZINC000008589384 570694301 /nfs/dbraw/zinc/69/43/01/570694301.db2.gz AKMXMLSRUZGDCJ-UHFFFAOYSA-N -1 0 381.454 2.930 50 0 GFAARM O=C1N[C@H](c2cccc(F)c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000000915111 570725033 /nfs/dbraw/zinc/72/50/33/570725033.db2.gz UVQRIPDTBBUCDQ-ZOWXZIJZSA-N -1 0 388.342 2.991 50 0 GFAARM O=S(=O)([N-]c1cccn2c1nnc2C1CCC1)c1cccc2nsnc21 ZINC000065228810 570739793 /nfs/dbraw/zinc/73/97/93/570739793.db2.gz BHRSZYKDULMVBM-UHFFFAOYSA-N -1 0 386.462 2.802 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000013260063 570752177 /nfs/dbraw/zinc/75/21/77/570752177.db2.gz NYWWOEJMVDUVBH-IBGZPJMESA-N -1 0 391.427 2.720 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000013427028 570754741 /nfs/dbraw/zinc/75/47/41/570754741.db2.gz KBCJNDFCYGPYBL-SFHVURJKSA-N -1 0 382.416 2.768 50 0 GFAARM Cc1nn(Cc2nnc(SCC(=O)[O-])n2-c2ccccc2F)c(C)c1C ZINC000065372621 570762121 /nfs/dbraw/zinc/76/21/21/570762121.db2.gz JHLJNIPCIWEVEO-UHFFFAOYSA-N -1 0 375.429 2.753 50 0 GFAARM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C1CCOCC1 ZINC000299750008 570827778 /nfs/dbraw/zinc/82/77/78/570827778.db2.gz MJVTXIDMEZMDCM-KGLIPLIRSA-N -1 0 387.354 2.781 50 0 GFAARM O=C(NCc1ccco1)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722715 570830200 /nfs/dbraw/zinc/83/02/00/570830200.db2.gz FCLKXCAVMJMTNV-UHFFFAOYSA-N -1 0 375.384 2.673 50 0 GFAARM Cc1ccc(C)c(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000071721408 570844020 /nfs/dbraw/zinc/84/40/20/570844020.db2.gz QQNDDWDWESKYGQ-UHFFFAOYSA-N -1 0 388.489 2.605 50 0 GFAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1nc2ccccc2[nH]1 ZINC000102309668 570844439 /nfs/dbraw/zinc/84/44/39/570844439.db2.gz LFBXTHZXKLLHRG-SNVBAGLBSA-N -1 0 379.445 2.590 50 0 GFAARM Cc1cc(CCC(=O)N(CC(=O)[O-])C[C@@H]2CCCO2)ccc1Br ZINC000170592059 570850778 /nfs/dbraw/zinc/85/07/78/570850778.db2.gz UISGMKWCTKRWHA-AWEZNQCLSA-N -1 0 384.270 2.782 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(F)c4)c=3c2=O)c1 ZINC000102819719 570865930 /nfs/dbraw/zinc/86/59/30/570865930.db2.gz KPDSLVOUPNFQGY-SJORKVTESA-N -1 0 384.367 2.649 50 0 GFAARM O=C([O-])[C@H]1C[C@@H](C(=O)NC2CC2)CN(C(=O)c2ccccc2-c2ccccc2)C1 ZINC000072145562 570871586 /nfs/dbraw/zinc/87/15/86/570871586.db2.gz SSOZHMGLPIDVNZ-SJORKVTESA-N -1 0 392.455 2.795 50 0 GFAARM COc1ccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)cc1OC ZINC000170624701 570881024 /nfs/dbraw/zinc/88/10/24/570881024.db2.gz IOSXMFVPHNQBRQ-LBPRGKRZSA-N -1 0 394.427 2.771 50 0 GFAARM COCCNC(=O)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000004014254 570936840 /nfs/dbraw/zinc/93/68/40/570936840.db2.gz KFXLQROCBSAZFL-UHFFFAOYSA-N -1 0 375.494 2.628 50 0 GFAARM COc1ccc2c(C)c(CCC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc2c1C ZINC000002105257 570948341 /nfs/dbraw/zinc/94/83/41/570948341.db2.gz PXXHJUHCQYWXFW-UHFFFAOYSA-N -1 0 387.432 2.674 50 0 GFAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002106255 570948508 /nfs/dbraw/zinc/94/85/08/570948508.db2.gz DJSBYOCVGPTSDU-SFHVURJKSA-N -1 0 395.411 2.552 50 0 GFAARM Cc1c(OCC(=O)N2CCC(C(=O)[O-])CC2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002117900 570952844 /nfs/dbraw/zinc/95/28/44/570952844.db2.gz CGDBPWAXLQGOPH-UHFFFAOYSA-N -1 0 399.443 2.682 50 0 GFAARM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000047417743 570955679 /nfs/dbraw/zinc/95/56/79/570955679.db2.gz JICNUVIWXSSCIA-UHFFFAOYSA-N -1 0 377.344 2.714 50 0 GFAARM Cc1ccsc1CCNC(=O)CCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000004371775 570964047 /nfs/dbraw/zinc/96/40/47/570964047.db2.gz ORXBROYKPMKQBQ-UHFFFAOYSA-N -1 0 377.491 2.518 50 0 GFAARM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000002148093 570972218 /nfs/dbraw/zinc/97/22/18/570972218.db2.gz WRYNFKDCCOOQAP-BBRMVZONSA-N -1 0 375.421 2.937 50 0 GFAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007709278 571019597 /nfs/dbraw/zinc/01/95/97/571019597.db2.gz MTQAJMQRFMBTLK-UHFFFAOYSA-N -1 0 399.472 2.506 50 0 GFAARM CN1C(=O)CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000299740590 600615500 /nfs/dbraw/zinc/61/55/00/600615500.db2.gz AHOJJRLGFLGDCZ-NOLJZWGESA-N -1 0 398.381 2.548 50 0 GFAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cnc(N(C)C)nc3)s2)cs1 ZINC000077196691 655004446 /nfs/dbraw/zinc/00/44/46/655004446.db2.gz QPYZEQQREPSIEV-UHFFFAOYSA-N -1 0 381.508 2.837 50 0 GFAARM Cc1nc(/C=C/C(=O)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cs1 ZINC000115921274 655243084 /nfs/dbraw/zinc/24/30/84/655243084.db2.gz KVPMXAQQNLIKNL-CDAZIORVSA-N -1 0 398.893 2.947 50 0 GFAARM Cc1nn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(C)c1Br ZINC000725346584 655525843 /nfs/dbraw/zinc/52/58/43/655525843.db2.gz IVLZGEYCQQKATP-ZDUSSCGKSA-N -1 0 396.241 2.642 50 0 GFAARM Cn1c2ccccc2nc1[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)[O-])o2)C1 ZINC000426547639 231239970 /nfs/dbraw/zinc/23/99/70/231239970.db2.gz PINPVLBDSKEUER-CYBMUJFWSA-N -1 0 382.420 2.954 50 0 GFAARM CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)OC)c1C ZINC000017080796 210203973 /nfs/dbraw/zinc/20/39/73/210203973.db2.gz OZSUIVWESWOGIQ-QWRGUYRKSA-N -1 0 395.433 2.625 50 0 GFAARM Cc1sc(NC(=O)COCC(=O)[O-])c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000017079631 210202792 /nfs/dbraw/zinc/20/27/92/210202792.db2.gz ZIPCDVJICOONPK-UHFFFAOYSA-N -1 0 390.461 2.986 50 0 GFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 ZINC000017076989 210201361 /nfs/dbraw/zinc/20/13/61/210201361.db2.gz WKSIYLJMSIUWGQ-NEPJUHHUSA-N -1 0 376.478 2.959 50 0 GFAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3OCC(F)(F)F)cc2o1 ZINC000014205771 210110279 /nfs/dbraw/zinc/11/02/79/210110279.db2.gz RLFLACCAIIRLNI-UHFFFAOYSA-N -1 0 388.323 2.863 50 0 GFAARM CC[C@@H](SC1=NC(=O)C(CC)C([O-])=N1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000013565068 210068053 /nfs/dbraw/zinc/06/80/53/210068053.db2.gz NAQMBGJIKOMESA-CQSZACIVSA-N -1 0 375.450 2.750 50 0 GFAARM COc1ccccc1CCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000013184142 210053425 /nfs/dbraw/zinc/05/34/25/210053425.db2.gz BSEFLYIRBWFUEZ-MRXNPFEDSA-N -1 0 387.432 2.977 50 0 GFAARM COc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc([N-]S(C)(=O)=O)nn32)cc1 ZINC000013121978 210050636 /nfs/dbraw/zinc/05/06/36/210050636.db2.gz OHVDRDXOXGFHNM-IAGOWNOFSA-N -1 0 399.476 2.805 50 0 GFAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cccc(SC)c2)c1 ZINC000012631283 209988886 /nfs/dbraw/zinc/98/88/86/209988886.db2.gz IJZYZNZGOJYQAL-UHFFFAOYSA-N -1 0 395.458 2.783 50 0 GFAARM COc1cc(Cl)c(C)cc1NC(=O)Cc1csc([N-]S(C)(=O)=O)n1 ZINC000012525899 531553679 /nfs/dbraw/zinc/55/36/79/531553679.db2.gz SLWUPECWDWZZLN-UHFFFAOYSA-N -1 0 389.886 2.666 50 0 GFAARM O=S(=O)([N-]n1cc(-c2ccccc2)[nH]c1=S)c1ccc2c(c1)OCCO2 ZINC000006864602 209697724 /nfs/dbraw/zinc/69/77/24/209697724.db2.gz OKIVUKXFOSUKFB-UHFFFAOYSA-N -1 0 389.458 2.916 50 0 GFAARM COc1ccc(NC(=O)[C@H]2CCCO2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006623296 209661803 /nfs/dbraw/zinc/66/18/03/209661803.db2.gz UFANQGSQIXKWET-QGZVFWFLSA-N -1 0 394.424 2.753 50 0 GFAARM Cc1c(C(N)=O)sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000006184387 209635182 /nfs/dbraw/zinc/63/51/82/209635182.db2.gz STINFIHLUWESGO-MNOVXSKESA-N -1 0 396.465 2.550 50 0 GFAARM O=C([O-])[C@H](CCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000004899657 209540726 /nfs/dbraw/zinc/54/07/26/209540726.db2.gz NJJLJGVZPXYNGT-KRWDZBQOSA-N -1 0 386.404 2.683 50 0 GFAARM Cc1ccc(C(=O)[O-])c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 ZINC000002495366 209368598 /nfs/dbraw/zinc/36/85/98/209368598.db2.gz JDUVJTGOCLNTML-UHFFFAOYSA-N -1 0 390.442 2.959 50 0 GFAARM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002094593 209346690 /nfs/dbraw/zinc/34/66/90/209346690.db2.gz URZDPNCTZDVGKL-SJCJKPOMSA-N -1 0 387.432 2.809 50 0 GFAARM CCc1c([O-])nc(SCC(=O)N(CC)CC)n(-c2ccc(C)cc2)c1=O ZINC000001230448 209316424 /nfs/dbraw/zinc/31/64/24/209316424.db2.gz OZAAZKHUIPWNNH-UHFFFAOYSA-N -1 0 375.494 2.769 50 0 GFAARM Cc1noc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C ZINC000001114347 209302388 /nfs/dbraw/zinc/30/23/88/209302388.db2.gz KUVITUNAMCSJJV-UHFFFAOYSA-N -1 0 397.412 2.893 50 0 GFAARM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 ZINC000001078716 209297806 /nfs/dbraw/zinc/29/78/06/209297806.db2.gz KCPYLFFAUKMJQE-GZTJUZNOSA-N -1 0 375.384 2.806 50 0 GFAARM C[C@@H](O)[C@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938082 209281023 /nfs/dbraw/zinc/28/10/23/209281023.db2.gz XTMIDCQCTISXHT-DUTTYOFASA-N -1 0 387.002 2.730 50 0 GFAARM CNC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2C)c1 ZINC000008778926 209190247 /nfs/dbraw/zinc/19/02/47/209190247.db2.gz CITPKPBEOIYJMK-UHFFFAOYSA-N -1 0 383.267 2.918 50 0 GFAARM O=C([O-])c1cccc2c1N(S(=O)(=O)c1ccc(Br)cc1)CC2 ZINC000242389436 211974560 /nfs/dbraw/zinc/97/45/60/211974560.db2.gz ZXGHOLLVRZATML-UHFFFAOYSA-N -1 0 382.235 2.899 50 0 GFAARM O=C([O-])CC[C@]1(CCC(=O)NCc2ccc(Cl)c(Cl)c2)CCC(=O)N1 ZINC000218199939 211757558 /nfs/dbraw/zinc/75/75/58/211757558.db2.gz RTKZHQYUBCGTFD-KRWDZBQOSA-N -1 0 387.263 2.903 50 0 GFAARM COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)[O-])[C@@H]21 ZINC000216627183 211744534 /nfs/dbraw/zinc/74/45/34/211744534.db2.gz ZVMXAIYIRBWSAF-LJQANCHMSA-N -1 0 396.399 2.683 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002134563 211512670 /nfs/dbraw/zinc/51/26/70/211512670.db2.gz RIVJPCNBZYSPSH-BUXKBTBVSA-N -1 0 387.432 2.666 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1 ZINC000101260387 211396396 /nfs/dbraw/zinc/39/63/96/211396396.db2.gz XYLVGSUPRTWEDO-DLBZAZTESA-N -1 0 384.367 2.649 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000101169348 211396455 /nfs/dbraw/zinc/39/64/55/211396455.db2.gz YTNTXHKIGHUMTN-RBUKOAKNSA-N -1 0 391.431 2.544 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000100707228 211388198 /nfs/dbraw/zinc/38/81/98/211388198.db2.gz HMEFWBBNVCXWGL-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM COc1ccc(-n2[n-]c(CSc3nnnn3-c3ccccc3)cc2=O)cc1 ZINC000100139191 211384121 /nfs/dbraw/zinc/38/41/21/211384121.db2.gz JBCYCQPCEZKUAE-UHFFFAOYSA-N -1 0 380.433 2.855 50 0 GFAARM CC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100074404 211382596 /nfs/dbraw/zinc/38/25/96/211382596.db2.gz FDNWFVRBCSOHLB-SJLPKXTDSA-N -1 0 381.819 2.972 50 0 GFAARM COc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000096361187 211336622 /nfs/dbraw/zinc/33/66/22/211336622.db2.gz KYHOCQMEDFUKRN-UHFFFAOYSA-N -1 0 390.396 2.611 50 0 GFAARM O=S(=O)(CCOc1ccccc1F)[N-]c1ccc(Br)cn1 ZINC000096191831 211317589 /nfs/dbraw/zinc/31/75/89/211317589.db2.gz QOLXVDARPTYZGF-UHFFFAOYSA-N -1 0 375.219 2.804 50 0 GFAARM O=C([O-])C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1 ZINC000095989460 211292042 /nfs/dbraw/zinc/29/20/42/211292042.db2.gz ANRCGNRENGMCOC-ZDUSSCGKSA-N -1 0 378.226 2.618 50 0 GFAARM Cc1cc2occ(CC(=O)Nc3ccc(CC(=O)NCC(=O)[O-])cc3)c2cc1C ZINC000095425119 211239581 /nfs/dbraw/zinc/23/95/81/211239581.db2.gz KXULUTRNTXQZNL-UHFFFAOYSA-N -1 0 394.427 2.974 50 0 GFAARM O=S(=O)([N-]c1ccc(Cc2nn[nH]n2)cc1)c1cccc(Cl)c1Cl ZINC000095420526 211238753 /nfs/dbraw/zinc/23/87/53/211238753.db2.gz CLCMTWXRTMEOPU-UHFFFAOYSA-N -1 0 384.248 2.898 50 0 GFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)c1 ZINC000095388732 211237696 /nfs/dbraw/zinc/23/76/96/211237696.db2.gz PLFWHUJIMVSUKP-QGZVFWFLSA-N -1 0 378.432 2.926 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cncnc1-c1ccccc1 ZINC000095466304 211245753 /nfs/dbraw/zinc/24/57/53/211245753.db2.gz IKWFCLBAYCZCPK-UHFFFAOYSA-N -1 0 375.431 2.793 50 0 GFAARM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N1CCN(Cc2cccnc2)CC1 ZINC000095387407 211233671 /nfs/dbraw/zinc/23/36/71/211233671.db2.gz MINHAVXZFDAGOP-SFHVURJKSA-N -1 0 375.856 2.687 50 0 GFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccc4c(c3)ncn4CCO)C2)c1 ZINC000095363809 211225098 /nfs/dbraw/zinc/22/50/98/211225098.db2.gz HYSOJZQEEMNULC-GOSISDBHSA-N -1 0 393.443 2.747 50 0 GFAARM C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C(=O)c1ccccc1Cl)CC2 ZINC000091680662 211203465 /nfs/dbraw/zinc/20/34/65/211203465.db2.gz OAYXOHXQBSYARW-ZDUSSCGKSA-N -1 0 378.856 2.658 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cc1OC ZINC000079020400 211152940 /nfs/dbraw/zinc/15/29/40/211152940.db2.gz SEJNDRVFAQXZDP-UHFFFAOYSA-N -1 0 388.239 2.973 50 0 GFAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)c1cccc(-c3ccccc3)n1)C2 ZINC000072472800 211122890 /nfs/dbraw/zinc/12/28/90/211122890.db2.gz FKFQAYTUKKYVJD-UHFFFAOYSA-N -1 0 376.416 2.618 50 0 GFAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1cnn(-c3cccc(F)c3)c1)C2 ZINC000072409634 211114357 /nfs/dbraw/zinc/11/43/57/211114357.db2.gz JMUAYPLLDJRGTI-UHFFFAOYSA-N -1 0 383.427 2.631 50 0 GFAARM O=C([O-])c1cccc(CC2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1 ZINC000072156369 211077888 /nfs/dbraw/zinc/07/78/88/211077888.db2.gz CIYJATBPVGCJJC-UHFFFAOYSA-N -1 0 380.510 2.760 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1 ZINC000071833038 211065010 /nfs/dbraw/zinc/06/50/10/211065010.db2.gz XWOWUZMWSJVHGX-UHFFFAOYSA-N -1 0 382.235 2.899 50 0 GFAARM Nc1ccnc(N2CCC(Cc3ccccc3C(F)(F)F)(C(=O)[O-])CC2)n1 ZINC000071749453 211056916 /nfs/dbraw/zinc/05/69/16/211056916.db2.gz NRCYHHUDOILBFS-UHFFFAOYSA-N -1 0 380.370 2.992 50 0 GFAARM CN(C(=O)c1cccc(NC(=O)c2nccnc2C(=O)[O-])c1)c1ccccc1 ZINC000071285210 211044374 /nfs/dbraw/zinc/04/43/74/211044374.db2.gz QJEDETALJCMMIH-UHFFFAOYSA-N -1 0 376.372 2.704 50 0 GFAARM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1 ZINC000068300419 211033402 /nfs/dbraw/zinc/03/34/02/211033402.db2.gz TXHAYTQRSXVNOX-UHFFFAOYSA-N -1 0 393.774 2.828 50 0 GFAARM Cc1cccnc1C(=O)N1CCc2c(c(C(=O)[O-])nn2Cc2ccc(F)cc2)C1 ZINC000067696674 211017814 /nfs/dbraw/zinc/01/78/14/211017814.db2.gz RHYUXDORARBMJO-UHFFFAOYSA-N -1 0 394.406 2.671 50 0 GFAARM O=C([O-])c1cc2cc(Br)cnc2n1S(=O)(=O)c1ccccc1 ZINC000066054290 211000342 /nfs/dbraw/zinc/00/03/42/211000342.db2.gz PJYCZUYUVLBGRU-UHFFFAOYSA-N -1 0 381.207 2.734 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)cc1C(=O)[O-] ZINC000299747197 210828732 /nfs/dbraw/zinc/82/87/32/210828732.db2.gz CITYIHWEEQOJSU-BBRMVZONSA-N -1 0 376.434 2.526 50 0 GFAARM CCOC(=O)c1ccccc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019863010 210303704 /nfs/dbraw/zinc/30/37/04/210303704.db2.gz XBIPEYVODPDJRT-INIZCTEOSA-N -1 0 399.424 2.986 50 0 GFAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCN1C(=O)CCc2ccccc21 ZINC000237581962 136192290 /nfs/dbraw/zinc/19/22/90/136192290.db2.gz DSCMNFAKJMLGAB-GOSISDBHSA-N -1 0 380.444 2.997 50 0 GFAARM CC(C)(C)OC(=O)N1CCN(c2cnccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000169725742 534840720 /nfs/dbraw/zinc/84/07/20/534840720.db2.gz QEGKIMMJBHXNJO-LBPRGKRZSA-N -1 0 375.347 2.611 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000268950738 526291626 /nfs/dbraw/zinc/29/16/26/526291626.db2.gz SQBGNDLRKANEHL-WPGHFRTFSA-N -1 0 391.855 2.728 50 0 GFAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000026528958 551121983 /nfs/dbraw/zinc/12/19/83/551121983.db2.gz CNWSOCXZUGDMHI-UHFFFAOYSA-N -1 0 377.846 2.992 50 0 GFAARM COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000033304190 551133907 /nfs/dbraw/zinc/13/39/07/551133907.db2.gz ULFCKAXSYGZSOB-NVMNQCDNSA-N -1 0 377.194 2.920 50 0 GFAARM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@@H]2CCCc3cccc1c32 ZINC000161965230 551601414 /nfs/dbraw/zinc/60/14/14/551601414.db2.gz RHPMRRLJDGHEIL-AAEUAGOBSA-N -1 0 378.475 2.773 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1csc([C@@H]2CCCO2)n1 ZINC000165279852 551629099 /nfs/dbraw/zinc/62/90/99/551629099.db2.gz DUQLKTNOPQWYJA-HNNXBMFYSA-N -1 0 378.475 2.602 50 0 GFAARM O=S(=O)([N-]c1nc2ncccn2n1)c1cc(C(F)(F)F)ccc1Cl ZINC000225550303 553059639 /nfs/dbraw/zinc/05/96/39/553059639.db2.gz AOLWHGFBYFPEIR-UHFFFAOYSA-N -1 0 377.735 2.597 50 0 GFAARM O=C([O-])c1cc2cc(NC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)ccc2s1 ZINC000263288950 553185303 /nfs/dbraw/zinc/18/53/03/553185303.db2.gz QLTVLOBNCPIKOK-LBPRGKRZSA-N -1 0 379.459 2.753 50 0 GFAARM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000299747313 563390605 /nfs/dbraw/zinc/39/06/05/563390605.db2.gz CONPHDRJSLLPSL-JTQLQIEISA-N -1 0 376.236 2.853 50 0 GFAARM CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299753725 563390756 /nfs/dbraw/zinc/39/07/56/563390756.db2.gz ZDMILKFNYBDYTC-UKRRQHHQSA-N -1 0 384.270 2.720 50 0 GFAARM O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCOCC1 ZINC000007000972 570325184 /nfs/dbraw/zinc/32/51/84/570325184.db2.gz ZZPGGMIFDQKTPM-UHFFFAOYSA-N -1 0 397.456 2.508 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000003268047 570335052 /nfs/dbraw/zinc/33/50/52/570335052.db2.gz FDCARSJLJIFTCB-CQSZACIVSA-N -1 0 385.363 2.906 50 0 GFAARM COc1cc(-c2csc(CCn3[n-]c(C)cc3=O)n2)cc(OC)c1OC ZINC000004863733 570350556 /nfs/dbraw/zinc/35/05/56/570350556.db2.gz QFYCZIYXOCNMCJ-UHFFFAOYSA-N -1 0 375.450 2.987 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000004863250 570350591 /nfs/dbraw/zinc/35/05/91/570350591.db2.gz HWABDGNIOJVAKM-PKOBYXMFSA-N -1 0 391.427 2.601 50 0 GFAARM Cc1cc(C)n(-c2ccc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)cc2F)n1 ZINC000237679878 570389698 /nfs/dbraw/zinc/38/96/98/570389698.db2.gz OIUDUGSVGMXEEE-INIZCTEOSA-N -1 0 389.427 2.724 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N3CC[C@@]4(CCOC4)C3)cc2)c(C)c1CCC(=O)[O-] ZINC000237730790 570392025 /nfs/dbraw/zinc/39/20/25/570392025.db2.gz CKQBVWCMSXWCMR-JOCHJYFZSA-N -1 0 397.475 2.759 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1csc([C@@H]2CCCO2)n1 ZINC000119114323 570423408 /nfs/dbraw/zinc/42/34/08/570423408.db2.gz PNLBPWGGCTWDDU-ZDUSSCGKSA-N -1 0 388.417 2.533 50 0 GFAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)o1 ZINC000238124587 570426235 /nfs/dbraw/zinc/42/62/35/570426235.db2.gz UZYNNZNINRGNAV-LLVKDONJSA-N -1 0 397.214 2.954 50 0 GFAARM O=C([O-])CCCCCNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000238950645 570427728 /nfs/dbraw/zinc/42/77/28/570427728.db2.gz ZFURKWNCEHRKDT-QAQDUYKDSA-N -1 0 399.491 2.964 50 0 GFAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000262646846 570433286 /nfs/dbraw/zinc/43/32/86/570433286.db2.gz IPNYQLWGAVICDL-SFHVURJKSA-N -1 0 387.457 2.740 50 0 GFAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000006726487 570490629 /nfs/dbraw/zinc/49/06/29/570490629.db2.gz NXXBTQPXCGPQEY-FHEXOWRHSA-N -1 0 382.504 2.981 50 0 GFAARM CC(C)n1c2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2nc1C(F)(F)F ZINC000268986351 570503852 /nfs/dbraw/zinc/50/38/52/570503852.db2.gz PZZKQFMZANKBLF-CYBMUJFWSA-N -1 0 385.342 2.562 50 0 GFAARM O=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006623467 570507299 /nfs/dbraw/zinc/50/72/99/570507299.db2.gz WUXNCJYQHKAVRY-UHFFFAOYSA-N -1 0 398.444 2.685 50 0 GFAARM O=C([N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1cnccn1 ZINC000005205886 570507596 /nfs/dbraw/zinc/50/75/96/570507596.db2.gz WLRBEYNCTTVRFS-UHFFFAOYSA-N -1 0 377.791 2.891 50 0 GFAARM CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000005245164 570526533 /nfs/dbraw/zinc/52/65/33/570526533.db2.gz SYVDVMCFEGVCHH-JKSUJKDBSA-N -1 0 376.453 2.574 50 0 GFAARM N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)NCC(=O)[O-] ZINC000002313729 570535880 /nfs/dbraw/zinc/53/58/80/570535880.db2.gz GADQCYQRLBILDW-UHFFFAOYSA-N -1 0 395.362 2.932 50 0 GFAARM COc1ccccc1CCN1C(=O)[C@@]([O-])(C(F)(F)F)N=C1c1ccccc1 ZINC000005269913 570545967 /nfs/dbraw/zinc/54/59/67/570545967.db2.gz QKIWBFHQXODSCO-GOSISDBHSA-N -1 0 378.350 2.778 50 0 GFAARM O=C([O-])c1ncccc1C(=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000009225096 570552762 /nfs/dbraw/zinc/55/27/62/570552762.db2.gz UEDIGZZJAOQEHL-UHFFFAOYSA-N -1 0 387.351 2.833 50 0 GFAARM CC(C)C[C@H](NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1)C(=O)[O-] ZINC000005339977 570556485 /nfs/dbraw/zinc/55/64/85/570556485.db2.gz MVJMLJLSYBIQBG-RJYAGPCLSA-N -1 0 399.491 2.818 50 0 GFAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000006770685 570580734 /nfs/dbraw/zinc/58/07/34/570580734.db2.gz KKWVGFSDLXKNKU-IAGOWNOFSA-N -1 0 386.358 2.509 50 0 GFAARM Cc1ccc(C2=NO[C@@](CC(=O)[O-])(C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 ZINC000005451923 570597220 /nfs/dbraw/zinc/59/72/20/570597220.db2.gz LYVFCVHJUCCXSL-NRFANRHFSA-N -1 0 396.399 2.743 50 0 GFAARM COc1ccc(OC)c(NC(C)=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000006904346 570697480 /nfs/dbraw/zinc/69/74/80/570697480.db2.gz FNDGFBHEFJLVJF-ATVHPVEESA-N -1 0 381.388 2.673 50 0 GFAARM O=C(Nc1ccccc1O)C1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 ZINC000015043407 570721913 /nfs/dbraw/zinc/72/19/13/570721913.db2.gz GGSLWBWQZAOWFF-UHFFFAOYSA-N -1 0 384.461 2.953 50 0 GFAARM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000058420816 570732580 /nfs/dbraw/zinc/73/25/80/570732580.db2.gz QVZIFOXPEJUHCR-CZUORRHYSA-N -1 0 386.370 2.628 50 0 GFAARM CCn1cc([C@H]2CC(c3c([O-])[nH]c(=O)sc3=O)=Nc3ccccc3N2)c(C)n1 ZINC000036621273 570765226 /nfs/dbraw/zinc/76/52/26/570765226.db2.gz CSDFQPAJZKHUGI-CQSZACIVSA-N -1 0 397.460 2.705 50 0 GFAARM CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000007054498 570774499 /nfs/dbraw/zinc/77/44/99/570774499.db2.gz RATXADICBWJWSI-UHFFFAOYSA-N -1 0 388.536 2.970 50 0 GFAARM CCN1C(=O)N/C(=C/c2cccc(OC)c2OCc2cccc(C(=O)[O-])c2)C1=O ZINC000004658944 570809342 /nfs/dbraw/zinc/80/93/42/570809342.db2.gz QFXPXQAKGCQKEV-LFIBNONCSA-N -1 0 396.399 2.885 50 0 GFAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238899386 570811852 /nfs/dbraw/zinc/81/18/52/570811852.db2.gz GCWSGQPKIODBTC-KKUMJFAQSA-N -1 0 387.432 2.876 50 0 GFAARM CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000237222785 570814234 /nfs/dbraw/zinc/81/42/34/570814234.db2.gz LBGPLUCVSGFXQV-QGZVFWFLSA-N -1 0 394.880 2.716 50 0 GFAARM CC(NCCOc1ccc(Cl)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000101152061 570814606 /nfs/dbraw/zinc/81/46/06/570814606.db2.gz YBFDOLAAFJEOCU-LGMDPLHJSA-N -1 0 399.834 2.865 50 0 GFAARM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1N(C)C ZINC000065474529 570822986 /nfs/dbraw/zinc/82/29/86/570822986.db2.gz KPVOCJZGWSVJRZ-UHFFFAOYSA-N -1 0 384.841 2.919 50 0 GFAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000373031806 570836020 /nfs/dbraw/zinc/83/60/20/570836020.db2.gz YNVHVWJXJCWVCM-CABZTGNLSA-N -1 0 391.777 2.656 50 0 GFAARM C[C@H](NC(=O)c1cccs1)C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000170592129 570851253 /nfs/dbraw/zinc/85/12/53/570851253.db2.gz JPXTYANJFCGXMN-TVQRCGJNSA-N -1 0 398.843 2.991 50 0 GFAARM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000032855682 570855207 /nfs/dbraw/zinc/85/52/07/570855207.db2.gz ITZLLFKBCOYVNL-UHFFFAOYSA-N -1 0 382.445 2.785 50 0 GFAARM COC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)cc1 ZINC000170624662 570880959 /nfs/dbraw/zinc/88/09/59/570880959.db2.gz QUAGWHBFFZETHE-NSHDSACASA-N -1 0 378.384 2.863 50 0 GFAARM CCCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1cc(OC)cc(OC)c1 ZINC000033266203 570883981 /nfs/dbraw/zinc/88/39/81/570883981.db2.gz INYCGVYSTJIBCJ-UHFFFAOYSA-N -1 0 386.412 2.752 50 0 GFAARM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)ccc1OC(C)C ZINC000042253763 570887003 /nfs/dbraw/zinc/88/70/03/570887003.db2.gz VFXVSDPUAODCJR-UHFFFAOYSA-N -1 0 385.388 2.879 50 0 GFAARM Cc1nc2ccccc2n1CCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000012607613 570889073 /nfs/dbraw/zinc/88/90/73/570889073.db2.gz OVWCMEZEWMJSFF-UHFFFAOYSA-N -1 0 387.461 2.638 50 0 GFAARM Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000013578982 570898945 /nfs/dbraw/zinc/89/89/45/570898945.db2.gz RFLSQIHCIQPQJO-UHFFFAOYSA-N -1 0 384.388 2.594 50 0 GFAARM CCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)[O-] ZINC000002123443 570956684 /nfs/dbraw/zinc/95/66/84/570956684.db2.gz WUDYMSJPWFSKPP-ZDUSSCGKSA-N -1 0 381.812 2.675 50 0 GFAARM O=C([O-])[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 ZINC000002139929 570963002 /nfs/dbraw/zinc/96/30/02/570963002.db2.gz HQURCQXSIORDKI-MSOLQXFVSA-N -1 0 382.416 2.730 50 0 GFAARM CCc1cc([N-]S(=O)(=O)c2cc(Br)c(OC)cc2OC)[nH]n1 ZINC000083820330 570966826 /nfs/dbraw/zinc/96/68/26/570966826.db2.gz LLYHWQBSXJLXAI-UHFFFAOYSA-N -1 0 390.259 2.553 50 0 GFAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1 ZINC000007726643 571024558 /nfs/dbraw/zinc/02/45/58/571024558.db2.gz YLWIFUYXLFFTQR-UHFFFAOYSA-N -1 0 388.445 2.791 50 0 GFAARM O=C([O-])[C@@H]1CCCN1C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000299746281 597513956 /nfs/dbraw/zinc/51/39/56/597513956.db2.gz WIPJXFYFGXUTSK-ZDUSSCGKSA-N -1 0 386.408 2.824 50 0 GFAARM CC(=O)N[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1c(F)cccc1F ZINC000299753065 600072324 /nfs/dbraw/zinc/07/23/24/600072324.db2.gz WRRCIMHBXJEQAH-VZEFYGNVSA-N -1 0 394.418 2.776 50 0 GFAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(NC(=O)CCc2nccs2)c1 ZINC000262439760 600485142 /nfs/dbraw/zinc/48/51/42/600485142.db2.gz NCOPDLJOPXUEKW-OAHLLOKOSA-N -1 0 387.461 2.794 50 0 GFAARM COC(=O)[C@](c1cc(Cl)c([O-])c(Cl)c1)(N1CCOCC1)C(F)(F)F ZINC000096592540 655031760 /nfs/dbraw/zinc/03/17/60/655031760.db2.gz PFOPQXZGJAGVPU-ZDUSSCGKSA-N -1 0 388.169 2.962 50 0 GFAARM Cc1c([O-])nc(SCC(=O)Nc2nccs2)n(-c2ccccc2F)c1=O ZINC000016361247 210189992 /nfs/dbraw/zinc/18/99/92/210189992.db2.gz SQDDRNDAHIDMDT-UHFFFAOYSA-N -1 0 392.437 2.573 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2s1 ZINC000015861954 210173917 /nfs/dbraw/zinc/17/39/17/210173917.db2.gz UNEYDIXPRYDGGI-UHFFFAOYSA-N -1 0 379.438 2.988 50 0 GFAARM C[C@@H](CC(=O)NCc1cccs1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000015826817 210172339 /nfs/dbraw/zinc/17/23/39/210172339.db2.gz SBDOGNFBNKWTHK-GFCCVEGCSA-N -1 0 377.491 2.803 50 0 GFAARM COc1ccc(C)cc1NC(=O)CNC(=O)CSc1ccccc1C(=O)[O-] ZINC000012978354 210037438 /nfs/dbraw/zinc/03/74/38/210037438.db2.gz QEMVRCOUJZZTNX-UHFFFAOYSA-N -1 0 388.445 2.549 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 ZINC000012806031 210013467 /nfs/dbraw/zinc/01/34/67/210013467.db2.gz XVGJSHWOMCBPLD-CYBMUJFWSA-N -1 0 392.502 2.994 50 0 GFAARM CCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-] ZINC000002429633 209364213 /nfs/dbraw/zinc/36/42/13/209364213.db2.gz PHLCOWFXYGQMQU-MRXNPFEDSA-N -1 0 387.432 2.729 50 0 GFAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC)cc2)cc1 ZINC000002733883 209381016 /nfs/dbraw/zinc/38/10/16/209381016.db2.gz HIMAFMJQFGFZQP-UHFFFAOYSA-N -1 0 377.418 2.841 50 0 GFAARM Cc1c(O[C@@H](C)C(=O)NCCCC(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002426686 209363759 /nfs/dbraw/zinc/36/37/59/209363759.db2.gz UCCJMDHHVPDKQO-ZDUSSCGKSA-N -1 0 387.432 2.729 50 0 GFAARM CC(=O)N[C@H](CSc1cc(C)nc2ccc(Br)cc21)C(=O)[O-] ZINC000002419941 209362140 /nfs/dbraw/zinc/36/21/40/209362140.db2.gz LAJAYRAKHFWSGO-CYBMUJFWSA-N -1 0 383.267 2.987 50 0 GFAARM COc1ccc2c(C)c(CCC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc2c1 ZINC000002108296 209347674 /nfs/dbraw/zinc/34/76/74/209347674.db2.gz UUZCDECNMLERSA-FQEVSTJZSA-N -1 0 395.411 2.985 50 0 GFAARM CCCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002106796 209347457 /nfs/dbraw/zinc/34/74/57/209347457.db2.gz USWXBQDIDZVWOE-KRWDZBQOSA-N -1 0 387.432 2.810 50 0 GFAARM COc1ccc2c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc2c1C ZINC000002104842 209347171 /nfs/dbraw/zinc/34/71/71/209347171.db2.gz REANHVPPWSJCPI-UHFFFAOYSA-N -1 0 375.421 2.722 50 0 GFAARM CCC(=O)N[C@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000001787032 209340150 /nfs/dbraw/zinc/34/01/50/209340150.db2.gz NIZVQHHNPBJKLL-LLVKDONJSA-N -1 0 398.699 2.894 50 0 GFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)no1 ZINC000000947849 209282551 /nfs/dbraw/zinc/28/25/51/209282551.db2.gz FERJLXQNMLOJPG-UHFFFAOYSA-N -1 0 387.417 2.801 50 0 GFAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000000898203 209278247 /nfs/dbraw/zinc/27/82/47/209278247.db2.gz KEWGYGQCLIKOQT-UHFFFAOYSA-N -1 0 398.444 2.847 50 0 GFAARM O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000888901 209275855 /nfs/dbraw/zinc/27/58/55/209275855.db2.gz YIBFYULWIBTHKJ-UHFFFAOYSA-N -1 0 382.445 2.849 50 0 GFAARM COc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])ccc1OC(C)=O ZINC000000692417 209260488 /nfs/dbraw/zinc/26/04/88/209260488.db2.gz CGAUABWAHYFSLX-UHFFFAOYSA-N -1 0 389.360 2.588 50 0 GFAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[N@@H+]3CCC[C@@H](C(=O)[O-])C3)c2c1 ZINC000227173763 209186632 /nfs/dbraw/zinc/18/66/32/209186632.db2.gz OQFYKPKKUCEUSB-SJKOYZFVSA-N -1 0 387.436 2.685 50 0 GFAARM Cc1oc(-c2cccs2)nc1CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000237662167 211475246 /nfs/dbraw/zinc/47/52/46/211475246.db2.gz VYKCSEMREUBBPK-ZDUSSCGKSA-N -1 0 378.450 2.736 50 0 GFAARM COc1ccccc1[C@@H](C1=C([O-])COC1=O)c1cc2c(cc1OC(C)=O)OCO2 ZINC000102955725 211418562 /nfs/dbraw/zinc/41/85/62/211418562.db2.gz GNJCTGNSYOIDRI-LJQANCHMSA-N -1 0 398.367 2.850 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1OC ZINC000101169128 211396587 /nfs/dbraw/zinc/39/65/87/211396587.db2.gz LJEKQFDDYGNFRU-RTBURBONSA-N -1 0 394.431 2.814 50 0 GFAARM O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1ccccc1Cn1ccnc1 ZINC000095995786 211292522 /nfs/dbraw/zinc/29/25/22/211292522.db2.gz CJTHXQIFHQTEDI-UHFFFAOYSA-N -1 0 380.433 2.517 50 0 GFAARM O=C([O-])CCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000095970455 211288781 /nfs/dbraw/zinc/28/87/81/211288781.db2.gz IFMXVIIIGDHMNW-KRWDZBQOSA-N -1 0 386.448 2.772 50 0 GFAARM O=C([O-])COc1ccccc1CNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC000095970653 211288824 /nfs/dbraw/zinc/28/88/24/211288824.db2.gz CIKITOONYOVXRT-UHFFFAOYSA-N -1 0 392.415 2.538 50 0 GFAARM CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccccc1OCC(=O)[O-] ZINC000095476798 211247418 /nfs/dbraw/zinc/24/74/18/211247418.db2.gz JMFJETDIJPUBEL-HNNXBMFYSA-N -1 0 377.422 2.645 50 0 GFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)Cn3ncc4ccccc4c3=O)C2)c1 ZINC000095361940 211223879 /nfs/dbraw/zinc/22/38/79/211223879.db2.gz ULBUKCIJFZKNGM-SFHVURJKSA-N -1 0 391.427 2.501 50 0 GFAARM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N1CCN(Cc2ccncc2)CC1 ZINC000095352486 211222387 /nfs/dbraw/zinc/22/23/87/211222387.db2.gz IFEIJURTHVXJGM-SFHVURJKSA-N -1 0 375.856 2.687 50 0 GFAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000091451999 211193112 /nfs/dbraw/zinc/19/31/12/211193112.db2.gz GOXWLYMKDXWOTB-GOSISDBHSA-N -1 0 382.482 2.555 50 0 GFAARM CCOc1ccc(-c2ccnc(NCc3cnn4cccnc34)n2)cc1C(=O)[O-] ZINC000077505612 211136041 /nfs/dbraw/zinc/13/60/41/211136041.db2.gz OYBSAPUAFUOLHY-UHFFFAOYSA-N -1 0 390.403 2.895 50 0 GFAARM COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC2(C(=O)[O-])CCCCC2)CC1=O ZINC000071892828 211064355 /nfs/dbraw/zinc/06/43/55/211064355.db2.gz LWKQOYKQNAJTCN-LBPRGKRZSA-N -1 0 394.855 2.605 50 0 GFAARM CSc1ccc(N2C[C@H](C(=O)NC3(C(=O)[O-])CCCCC3)CC2=O)cc1 ZINC000071802779 211064381 /nfs/dbraw/zinc/06/43/81/211064381.db2.gz JNWVANFPQQXGIK-CYBMUJFWSA-N -1 0 376.478 2.665 50 0 GFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(-c2nnc(-c3ccncc3)[nH]2)cc1 ZINC000071286628 211044047 /nfs/dbraw/zinc/04/40/47/211044047.db2.gz KALWYJUPRPMCSS-HUUCEWRRSA-N -1 0 377.404 2.829 50 0 GFAARM O=C([O-])c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cccnc1)CC2 ZINC000067880115 211027241 /nfs/dbraw/zinc/02/72/41/211027241.db2.gz GJCPAQAGYPUCTR-UHFFFAOYSA-N -1 0 390.443 2.808 50 0 GFAARM CCn1nc(C)c(-c2c(-c3ccccc3)ncn2CCc2n[nH]c(=O)[n-]2)c1C ZINC000067788769 211021703 /nfs/dbraw/zinc/02/17/03/211021703.db2.gz KXTYWGYZQNDABU-UHFFFAOYSA-N -1 0 377.452 2.704 50 0 GFAARM O=C([O-])COc1cccc(CNC(=O)c2ccccc2OC[C@H]2CCCO2)c1 ZINC000299741731 210826044 /nfs/dbraw/zinc/82/60/44/210826044.db2.gz AJJUADILXJDUGU-QGZVFWFLSA-N -1 0 385.416 2.638 50 0 GFAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cn1C ZINC000020467516 210339062 /nfs/dbraw/zinc/33/90/62/210339062.db2.gz UXWJXLWASYXWHP-UHFFFAOYSA-N -1 0 378.328 2.511 50 0 GFAARM Cc1cc(O)c2c(C)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc2c1 ZINC000020412611 210331943 /nfs/dbraw/zinc/33/19/43/210331943.db2.gz JKTAMJMOMNPXKG-IBGZPJMESA-N -1 0 381.384 2.600 50 0 GFAARM O=C([O-])CCSCC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000020081174 210313903 /nfs/dbraw/zinc/31/39/03/210313903.db2.gz AVOHBFLEYZUPTI-UHFFFAOYSA-N -1 0 379.459 2.878 50 0 GFAARM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1N1CCSCC1 ZINC000058365842 136155289 /nfs/dbraw/zinc/15/52/89/136155289.db2.gz SIDXZZMFMGRQHR-UHFFFAOYSA-N -1 0 396.465 2.878 50 0 GFAARM O=S(=O)([N-]c1ccc(F)cc1OCCO)c1cccc(Br)c1 ZINC000072034578 222204615 /nfs/dbraw/zinc/20/46/15/222204615.db2.gz CYHKCYWRLZXXIM-UHFFFAOYSA-N -1 0 390.230 2.760 50 0 GFAARM CC(C)Oc1ccc(-c2nc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000268970199 519778078 /nfs/dbraw/zinc/77/80/78/519778078.db2.gz GMLRLCFTAGYLTQ-OAHLLOKOSA-N -1 0 376.434 2.523 50 0 GFAARM CC(C)n1cc(Br)cc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000236686564 519928767 /nfs/dbraw/zinc/92/87/67/519928767.db2.gz ORQBBWISBGMVGT-CYBMUJFWSA-N -1 0 387.274 2.927 50 0 GFAARM CN1C(=O)C[C@@H](C(=O)NC2CCC(C(=O)[O-])CC2)[C@@H]1c1cccc(Cl)c1 ZINC000299746118 523696943 /nfs/dbraw/zinc/69/69/43/523696943.db2.gz VJVVBLXLRGWOMZ-OAYKNQQBSA-N -1 0 378.856 2.619 50 0 GFAARM CC(C)(C)OC(=O)N1CCN(c2ncccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000169725697 534840680 /nfs/dbraw/zinc/84/06/80/534840680.db2.gz QCHOOBAZXROOGS-NSHDSACASA-N -1 0 375.347 2.611 50 0 GFAARM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1)N1CCOCC1 ZINC000033875446 526701852 /nfs/dbraw/zinc/70/18/52/526701852.db2.gz RJDXKWMTYFXGQC-UHFFFAOYSA-N -1 0 398.843 2.752 50 0 GFAARM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000004953989 551095433 /nfs/dbraw/zinc/09/54/33/551095433.db2.gz ZKSFTJQUMFFMDG-UHFFFAOYSA-N -1 0 382.825 2.541 50 0 GFAARM Cn1c(=O)oc2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc21 ZINC000032958452 551132328 /nfs/dbraw/zinc/13/23/28/551132328.db2.gz KPRACQMNLJFTHH-UHFFFAOYSA-N -1 0 389.252 2.756 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)s2)cc(OC)c1 ZINC000064919940 551185240 /nfs/dbraw/zinc/18/52/40/551185240.db2.gz CJSUXDTXCDBJGC-UHFFFAOYSA-N -1 0 381.435 2.925 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1cnc([C@@H]2CCCO2)s1 ZINC000127556330 551342079 /nfs/dbraw/zinc/34/20/79/551342079.db2.gz PTUSFABAOIWNHC-AWEZNQCLSA-N -1 0 378.475 2.602 50 0 GFAARM O=C([O-])CC[C@]1(CCC(=O)NCc2cc(Cl)ccc2Cl)CCC(=O)N1 ZINC000219243477 553054480 /nfs/dbraw/zinc/05/44/80/553054480.db2.gz XJAXVHLGQRAIGD-KRWDZBQOSA-N -1 0 387.263 2.903 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)[O-] ZINC000049546972 570269484 /nfs/dbraw/zinc/26/94/84/570269484.db2.gz HRIROBUYCMGIAW-SZNDQCEHSA-N -1 0 393.443 2.679 50 0 GFAARM CC(C)(CC1CCOCC1)C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000119670640 570295014 /nfs/dbraw/zinc/29/50/14/570295014.db2.gz KHVNZNPGKLSKFA-UHFFFAOYSA-N -1 0 376.478 2.883 50 0 GFAARM O=C(CCc1nnc(-c2ccc(F)c(F)c2)[n-]c1=O)NCc1ccc(F)cc1 ZINC000034768367 570333944 /nfs/dbraw/zinc/33/39/44/570333944.db2.gz QYEMAUKRKRXFRY-UHFFFAOYSA-N -1 0 388.349 2.911 50 0 GFAARM O=C1N[C@H](c2cccs2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000006222079 570343701 /nfs/dbraw/zinc/34/37/01/570343701.db2.gz SNYAFSBOUHECRX-CWSCBRNRSA-N -1 0 376.381 2.914 50 0 GFAARM O=C([O-])c1ccccc1[C@H]1Nc2ccccc2C(=O)N1CCCN1CCOCC1 ZINC000004334739 570368955 /nfs/dbraw/zinc/36/89/55/570368955.db2.gz NECDRBSBZMQGEX-FQEVSTJZSA-N -1 0 395.459 2.674 50 0 GFAARM COc1ccc(C[C@@H](C(=O)Nc2ccc(C)c(C)c2)c2nnn[n-]2)c(OC)c1 ZINC000004676407 570392468 /nfs/dbraw/zinc/39/24/68/570392468.db2.gz FSGJGILTUHYWMY-QGZVFWFLSA-N -1 0 381.436 2.799 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1nc(-c2cccs2)no1 ZINC000237969411 570417699 /nfs/dbraw/zinc/41/76/99/570417699.db2.gz NPRUJWGNLPAVCD-AVGNSLFASA-N -1 0 375.450 2.975 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CCO1 ZINC000238123274 570425875 /nfs/dbraw/zinc/42/58/75/570425875.db2.gz RHCUKNSLFJQNEW-LLVKDONJSA-N -1 0 388.367 2.560 50 0 GFAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000011865405 570440597 /nfs/dbraw/zinc/44/05/97/570440597.db2.gz DJSBYOCVGPTSDU-GOSISDBHSA-N -1 0 395.411 2.552 50 0 GFAARM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3C[C@H](C)c4ccccc43)cc2)[n-]1 ZINC000130751635 570464793 /nfs/dbraw/zinc/46/47/93/570464793.db2.gz XCKZGKJSSDQJHY-AWEZNQCLSA-N -1 0 391.427 2.645 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCCO2)ccc1C ZINC000006623474 570507175 /nfs/dbraw/zinc/50/71/75/570507175.db2.gz SSZIPTGULHITSK-KRWDZBQOSA-N -1 0 390.461 2.922 50 0 GFAARM CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000064837178 570560100 /nfs/dbraw/zinc/56/01/00/570560100.db2.gz BNMVDLMMOHDQJU-UHFFFAOYSA-N -1 0 385.445 2.809 50 0 GFAARM CCn1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2n(CC)c1=O ZINC000064591942 570617992 /nfs/dbraw/zinc/61/79/92/570617992.db2.gz IOOPKYPDLVGSDV-UHFFFAOYSA-N -1 0 381.404 2.922 50 0 GFAARM CCOc1ccc(C(=O)CCC(=O)N[C@H](CC(=O)[O-])C(F)(F)F)cc1C ZINC000055243293 570688162 /nfs/dbraw/zinc/68/81/62/570688162.db2.gz BFVNLTCMDJXPDD-CQSZACIVSA-N -1 0 375.343 2.878 50 0 GFAARM Cc1cc(=O)c(C(=O)[N-]O[C@@H]2CCCCO2)nn1-c1cccc(C(F)(F)F)c1 ZINC000058415959 570732002 /nfs/dbraw/zinc/73/20/02/570732002.db2.gz VWOMQTMYDONRBA-OAHLLOKOSA-N -1 0 397.353 2.748 50 0 GFAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000097940960 570742876 /nfs/dbraw/zinc/74/28/76/570742876.db2.gz JJZBROIWBGPXFN-UHFFFAOYSA-N -1 0 392.412 2.620 50 0 GFAARM Cc1ccccc1C(=O)NC1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000170067742 570799776 /nfs/dbraw/zinc/79/97/76/570799776.db2.gz QUPRVKXTNFRRHT-UHFFFAOYSA-N -1 0 380.444 2.657 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000299740900 570823622 /nfs/dbraw/zinc/82/36/22/570823622.db2.gz CBYLCPZOPJXTDE-FQEVSTJZSA-N -1 0 380.444 2.636 50 0 GFAARM COc1cccc(-n2c(=O)c(C(=O)NC3CCCC3)c([O-])c3cccnc32)c1 ZINC000101722542 570829848 /nfs/dbraw/zinc/82/98/48/570829848.db2.gz UZONDJMTFFWELW-UHFFFAOYSA-N -1 0 379.416 2.772 50 0 GFAARM COc1ccc(OC)c(-c2noc(-c3c([O-])c4ccccc4n(C)c3=O)n2)c1 ZINC000101725670 570831677 /nfs/dbraw/zinc/83/16/77/570831677.db2.gz MNGIGWYRBHDRKQ-UHFFFAOYSA-N -1 0 379.372 2.978 50 0 GFAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccco2)cc1 ZINC000101802440 570835455 /nfs/dbraw/zinc/83/54/55/570835455.db2.gz CXXAZKORKYLEBR-UHFFFAOYSA-N -1 0 393.403 2.565 50 0 GFAARM Cc1cc(Br)c([O-])c(C(=O)N2CCN(c3nccs3)CC2)c1 ZINC000065609086 570839921 /nfs/dbraw/zinc/83/99/21/570839921.db2.gz OGPMXCVEZIZMQD-UHFFFAOYSA-N -1 0 382.283 2.882 50 0 GFAARM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnco3)c2)C1(C)C ZINC000159041611 570882427 /nfs/dbraw/zinc/88/24/27/570882427.db2.gz TYZXZUYETJRMTI-HUUCEWRRSA-N -1 0 375.450 2.780 50 0 GFAARM Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cccc(-c2cncc(C(=O)[O-])n2)c1 ZINC000534661114 570917744 /nfs/dbraw/zinc/91/77/44/570917744.db2.gz BZJLCZIJELVPGZ-LLVKDONJSA-N -1 0 379.420 2.683 50 0 GFAARM O=C(c1oc2ccccc2c1[N-]S(=O)(=O)c1cccs1)N1CCOCC1 ZINC000012650353 570947120 /nfs/dbraw/zinc/94/71/20/570947120.db2.gz MFGHXJJBJFKTBF-UHFFFAOYSA-N -1 0 392.458 2.768 50 0 GFAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc12)CCCC3 ZINC000002107452 570948713 /nfs/dbraw/zinc/94/87/13/570948713.db2.gz HGUMYHBRSZJMAB-UHFFFAOYSA-N -1 0 383.400 2.778 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000012688757 570949406 /nfs/dbraw/zinc/94/94/06/570949406.db2.gz NGFVESDQCVCMAN-UHFFFAOYSA-N -1 0 386.473 2.571 50 0 GFAARM COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000262679060 598154470 /nfs/dbraw/zinc/15/44/70/598154470.db2.gz VHBATXVEUNSFKS-UHFFFAOYSA-N -1 0 382.416 2.884 50 0 GFAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000299753085 600577623 /nfs/dbraw/zinc/57/76/23/600577623.db2.gz WTOVBYGEIFIDKW-HXUWFJFHSA-N -1 0 394.427 2.730 50 0 GFAARM COc1ccc(Cn2nnc(C(=O)[O-])c2-c2ccncc2)cc1Br ZINC000071327498 654999608 /nfs/dbraw/zinc/99/96/08/654999608.db2.gz AFQMHGPIJXKKSC-UHFFFAOYSA-N -1 0 389.209 2.858 50 0 GFAARM O=C([O-])CN1C(=O)/C(=C/c2cnn(Cc3ccccc3Cl)c2)SC1=S ZINC000084505947 655008283 /nfs/dbraw/zinc/00/82/83/655008283.db2.gz LFDPZJWFHCUSCN-ACAGNQJTSA-N -1 0 393.877 2.871 50 0 GFAARM Cc1cc(C)nc(-n2[n-]c3[nH]c(C)c(Cc4cccc(Cl)c4)c(=O)c3c2=O)n1 ZINC000018063669 210213332 /nfs/dbraw/zinc/21/33/32/210213332.db2.gz YMLUCFALOHMVAZ-UHFFFAOYSA-N -1 0 395.850 2.967 50 0 GFAARM Cc1ccc(-c2csc(NC(=O)COCC(=O)[O-])c2C(=O)NC2CC2)cc1 ZINC000017079302 210202221 /nfs/dbraw/zinc/20/22/21/210202221.db2.gz QVQOWBHPPFDVEE-UHFFFAOYSA-N -1 0 388.445 2.655 50 0 GFAARM CC(C)(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cn1[n-]c(=O)ccc1=O ZINC000015062496 210144650 /nfs/dbraw/zinc/14/46/50/210144650.db2.gz FQKFHEMPFQCSBL-HXUWFJFHSA-N -1 0 380.448 2.602 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCCc3cccs3)cc2s1 ZINC000013688275 210079374 /nfs/dbraw/zinc/07/93/74/210079374.db2.gz YWLIAVWINUWFFE-UHFFFAOYSA-N -1 0 381.504 2.702 50 0 GFAARM NC(=O)CCN(Cc1ccccc1)C(=O)CSCc1ccc(C(=O)[O-])cc1 ZINC000012946053 210033930 /nfs/dbraw/zinc/03/39/30/210033930.db2.gz ZFTVLLQICVEPMM-UHFFFAOYSA-N -1 0 386.473 2.522 50 0 GFAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000011691681 209881011 /nfs/dbraw/zinc/88/10/11/209881011.db2.gz FYBMBRPRDFVRDQ-ZDUSSCGKSA-N -1 0 384.251 2.840 50 0 GFAARM CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc21)C(=O)[O-] ZINC000011691679 209879997 /nfs/dbraw/zinc/87/99/97/209879997.db2.gz UPPCUABLISBUCD-CQSZACIVSA-N -1 0 386.267 2.990 50 0 GFAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000006471296 209650055 /nfs/dbraw/zinc/65/00/55/209650055.db2.gz UZGYIVWLUCNVLZ-UHFFFAOYSA-N -1 0 399.266 2.748 50 0 GFAARM CCCCOc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCC(=O)[O-])cc1 ZINC000002905745 209396514 /nfs/dbraw/zinc/39/65/14/209396514.db2.gz CMTMOWQTXWEXFT-XMHGGMMESA-N -1 0 396.443 2.837 50 0 GFAARM Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000002830210 209390323 /nfs/dbraw/zinc/39/03/23/209390323.db2.gz BJRKXELMVXGPIO-BSKAQADGSA-N -1 0 378.428 2.842 50 0 GFAARM Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000002827363 209389250 /nfs/dbraw/zinc/38/92/50/209389250.db2.gz ZFKAXWWHOZVLRG-BIRYMOPTSA-N -1 0 380.444 2.991 50 0 GFAARM CCOC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc(C(=O)OCC)c1 ZINC000002800797 209386391 /nfs/dbraw/zinc/38/63/91/209386391.db2.gz OYLVGIGKUABSTN-HZPDHXFCSA-N -1 0 391.420 2.870 50 0 GFAARM COc1ccc(-c2cnc(S([O-])=CC(=O)NCCc3ccccc3)n2C)cc1 ZINC000009828767 209318852 /nfs/dbraw/zinc/31/88/52/209318852.db2.gz CKVQOWSOIKAVNP-NDEPHWFRSA-N -1 0 397.500 2.562 50 0 GFAARM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1 ZINC000001119745 209302487 /nfs/dbraw/zinc/30/24/87/209302487.db2.gz JFCDJMRPCKTGDU-UHFFFAOYSA-N -1 0 385.825 2.701 50 0 GFAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000001027477 209289907 /nfs/dbraw/zinc/28/99/07/209289907.db2.gz SWYOLOXNJVHYSD-UHFFFAOYSA-N -1 0 387.360 2.569 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000136108168 212071323 /nfs/dbraw/zinc/07/13/23/212071323.db2.gz IDNPLVYDEXPIEB-LLVKDONJSA-N -1 0 378.226 2.572 50 0 GFAARM Cc1nn(C)cc1CN1CCN(c2cc(C)nc(-c3ccccc3[O-])n2)CC1 ZINC000299761266 212033057 /nfs/dbraw/zinc/03/30/57/212033057.db2.gz UDHNZNZISDPYHS-UHFFFAOYSA-N -1 0 378.480 2.522 50 0 GFAARM C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)C1=O ZINC000013428007 209164888 /nfs/dbraw/zinc/16/48/88/209164888.db2.gz DCHUISHEHHPLIQ-HOCLYGCPSA-N -1 0 382.416 2.523 50 0 GFAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)cc1 ZINC000096930718 211970524 /nfs/dbraw/zinc/97/05/24/211970524.db2.gz SZGPYENAFSRKDB-UTCJRWHESA-N -1 0 381.793 2.967 50 0 GFAARM O=C(Cc1csc(-c2cccs2)n1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000328592197 209145442 /nfs/dbraw/zinc/14/54/42/209145442.db2.gz MDCHWTHZUPCAOO-UHFFFAOYSA-N -1 0 375.479 2.644 50 0 GFAARM COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)[O-])[C@H]21 ZINC000216627139 211745480 /nfs/dbraw/zinc/74/54/80/211745480.db2.gz ZVMXAIYIRBWSAF-IBGZPJMESA-N -1 0 396.399 2.683 50 0 GFAARM O=C(NCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000003630196 211525554 /nfs/dbraw/zinc/52/55/54/211525554.db2.gz RFSVEXGGOOQDEN-MRXNPFEDSA-N -1 0 395.484 2.794 50 0 GFAARM COc1cc(C)c(S(=O)(=O)[N-]c2noc(-c3ccsc3)n2)cc1OC ZINC000097164883 211359781 /nfs/dbraw/zinc/35/97/81/211359781.db2.gz AQRMPESGBITRJW-UHFFFAOYSA-N -1 0 381.435 2.925 50 0 GFAARM CCC[C@H](CC(=O)[O-])NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000095989916 211292842 /nfs/dbraw/zinc/29/28/42/211292842.db2.gz RIFBOUXNEJKXNX-OAHLLOKOSA-N -1 0 390.461 2.861 50 0 GFAARM CCS(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000095944123 211283823 /nfs/dbraw/zinc/28/38/23/211283823.db2.gz RLMIBZFIYNITPS-UHFFFAOYSA-N -1 0 375.418 2.868 50 0 GFAARM O=C([O-])[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1cc(F)ccc1F ZINC000095424531 211238877 /nfs/dbraw/zinc/23/88/77/211238877.db2.gz DGCJSUCWLUQAJR-CYBMUJFWSA-N -1 0 396.781 2.564 50 0 GFAARM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000095430810 211238683 /nfs/dbraw/zinc/23/86/83/211238683.db2.gz QYLCHPBNFPHVAL-UHFFFAOYSA-N -1 0 380.294 2.543 50 0 GFAARM O=C([O-])[C@@H](c1ccc(-n2cccn2)cc1)N1CCN(Cc2ccsc2)CC1 ZINC000095358850 211224317 /nfs/dbraw/zinc/22/43/17/211224317.db2.gz YLSORUQZQXGYOS-LJQANCHMSA-N -1 0 382.489 2.877 50 0 GFAARM CCc1c(C)cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c(=O)n1C ZINC000095380228 211232134 /nfs/dbraw/zinc/23/21/34/211232134.db2.gz LKOSNCVIIKEFFI-QGZVFWFLSA-N -1 0 382.460 2.974 50 0 GFAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(cc2OC)CCC3)C1 ZINC000092028988 211214767 /nfs/dbraw/zinc/21/47/67/211214767.db2.gz DOSIOKQLAOLIGN-NRFANRHFSA-N -1 0 375.465 2.918 50 0 GFAARM CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1ccc([O-])c(Cl)c1)CC2 ZINC000072431675 211118010 /nfs/dbraw/zinc/11/80/10/211118010.db2.gz SVAAUWGFQGMUSN-HNNXBMFYSA-N -1 0 380.872 2.837 50 0 GFAARM Cc1ccc(CN2CCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC000072167112 211080825 /nfs/dbraw/zinc/08/08/25/211080825.db2.gz PPZHIZXAJSHZTH-KRWDZBQOSA-N -1 0 382.460 2.691 50 0 GFAARM O=C([O-])Cc1cc(C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)[nH]n1 ZINC000067847116 211025707 /nfs/dbraw/zinc/02/57/07/211025707.db2.gz ULRAFJMKWUIQKU-UHFFFAOYSA-N -1 0 380.404 2.712 50 0 GFAARM COc1ccc(CNC(=O)COc2cc(C(=O)[O-])nc3ccc(OC)cc32)cc1 ZINC000067341756 211008190 /nfs/dbraw/zinc/00/81/90/211008190.db2.gz YKWBUXSZNIGZLA-UHFFFAOYSA-N -1 0 396.399 2.645 50 0 GFAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1 ZINC000020574740 210348056 /nfs/dbraw/zinc/34/80/56/210348056.db2.gz YATCACOLSVFIAR-UHFFFAOYSA-N -1 0 375.431 2.502 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cnn(-c3cnn(-c4ccccc4)c3)c2)cc1 ZINC000020249647 210324030 /nfs/dbraw/zinc/32/40/30/210324030.db2.gz MQMJREVVVHIOEB-UHFFFAOYSA-N -1 0 395.444 2.867 50 0 GFAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000009059833 221069030 /nfs/dbraw/zinc/06/90/30/221069030.db2.gz IWLUGFOHVLSUJI-UHFFFAOYSA-N -1 0 383.791 2.940 50 0 GFAARM C[C@@H](NC(=O)c1ccc(-c2cncc(C(=O)[O-])n2)cc1)c1nc(C2CC2)no1 ZINC000426594840 533282921 /nfs/dbraw/zinc/28/29/21/533282921.db2.gz LHYBBQUWNVIFST-SNVBAGLBSA-N -1 0 379.376 2.593 50 0 GFAARM CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)C[C@H]1C(=O)[O-] ZINC000169725715 534838897 /nfs/dbraw/zinc/83/88/97/534838897.db2.gz XAFOEBBRNPDHQM-NSHDSACASA-N -1 0 375.347 2.611 50 0 GFAARM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccc(F)c(Cl)c1)OCCO2 ZINC000013090223 551108490 /nfs/dbraw/zinc/10/84/90/551108490.db2.gz CHOCTYWUBPFYCA-UHFFFAOYSA-N -1 0 387.772 2.749 50 0 GFAARM C[C@H](CS(=O)(=O)[N-]C(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1 ZINC000167004043 551632742 /nfs/dbraw/zinc/63/27/42/551632742.db2.gz GVDJSUAJJODQQL-IUODEOHRSA-N -1 0 380.491 2.858 50 0 GFAARM Cc1cccc(S(=O)(=O)[N-]c2ccccc2CC(N)=O)c1Br ZINC000170617459 551636130 /nfs/dbraw/zinc/63/61/30/551636130.db2.gz HBKNLSLKKMGRTH-UHFFFAOYSA-N -1 0 383.267 2.586 50 0 GFAARM COc1cc(C(=O)[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1C ZINC000253424696 553151483 /nfs/dbraw/zinc/15/14/83/553151483.db2.gz JUOCLHMCQPFZFF-UHFFFAOYSA-N -1 0 375.233 2.824 50 0 GFAARM CS(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000299338352 563382078 /nfs/dbraw/zinc/38/20/78/563382078.db2.gz FTDAEVZVCXJBFP-LKTVYLICSA-N -1 0 385.869 2.601 50 0 GFAARM CCOC[C@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CCO1 ZINC000529056931 564816681 /nfs/dbraw/zinc/81/66/81/564816681.db2.gz BQOXOJSFKCIXTO-LLVKDONJSA-N -1 0 382.873 2.550 50 0 GFAARM COc1ccccc1-n1[n-]c(CSc2nnnn2-c2ccccc2)cc1=O ZINC000101292807 570255811 /nfs/dbraw/zinc/25/58/11/570255811.db2.gz JHJUOBRZCASNSX-UHFFFAOYSA-N -1 0 380.433 2.855 50 0 GFAARM Cc1ccc(N(C)S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c(C)c1 ZINC000053669623 570328111 /nfs/dbraw/zinc/32/81/11/570328111.db2.gz ZWFVQAFRZMVJAF-UHFFFAOYSA-N -1 0 377.418 2.598 50 0 GFAARM CCOc1ccc(-c2nnc(CCC(=O)NCCc3ccccc3)c(=O)[n-]2)cc1 ZINC000034762876 570333183 /nfs/dbraw/zinc/33/31/83/570333183.db2.gz RNOGFSYEWJLLFT-UHFFFAOYSA-N -1 0 392.459 2.934 50 0 GFAARM COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000035378073 570346482 /nfs/dbraw/zinc/34/64/82/570346482.db2.gz XQCPJLYSIYQTQN-UHFFFAOYSA-N -1 0 385.445 2.863 50 0 GFAARM CCN(CC)c1ncc(NS(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000035397667 570348916 /nfs/dbraw/zinc/34/89/16/570348916.db2.gz HFUILCWQWYWUSA-UHFFFAOYSA-N -1 0 381.429 2.874 50 0 GFAARM C[C@H](NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)[C@H]1COc2ccccc21 ZINC000237582001 570381584 /nfs/dbraw/zinc/38/15/84/570381584.db2.gz WRZUACKPQQCZIU-XJKSGUPXSA-N -1 0 377.400 2.865 50 0 GFAARM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1 ZINC000024425421 570383396 /nfs/dbraw/zinc/38/33/96/570383396.db2.gz IQLMHZLMYGGYSX-UHFFFAOYSA-N -1 0 398.366 2.656 50 0 GFAARM COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)c(=O)[n-]2)cc1 ZINC000024747982 570390977 /nfs/dbraw/zinc/39/09/77/570390977.db2.gz MEYURHDDOYBIDK-UHFFFAOYSA-N -1 0 398.444 2.992 50 0 GFAARM Cc1c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000237761327 570394975 /nfs/dbraw/zinc/39/49/75/570394975.db2.gz KESTUDJPQXXUCF-CQSZACIVSA-N -1 0 397.353 2.515 50 0 GFAARM O=C([O-])CCCNC(=O)CCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000004729252 570398480 /nfs/dbraw/zinc/39/84/80/570398480.db2.gz MWGVPTZCGPXBHQ-UHFFFAOYSA-N -1 0 382.460 2.696 50 0 GFAARM CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000004760709 570404014 /nfs/dbraw/zinc/40/40/14/570404014.db2.gz BCFXIICWEDEFQM-CVEARBPZSA-N -1 0 396.509 2.650 50 0 GFAARM O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1cccs1 ZINC000237962118 570417669 /nfs/dbraw/zinc/41/76/69/570417669.db2.gz VLVGCUXOAUHIFR-GWCFXTLKSA-N -1 0 394.399 2.711 50 0 GFAARM O=C([O-])CCN(C(=O)c1cnn(Cc2ccccc2Cl)c1)C1CCOCC1 ZINC000238080136 570422983 /nfs/dbraw/zinc/42/29/83/570422983.db2.gz AKBJGOKLEUPLRL-UHFFFAOYSA-N -1 0 391.855 2.681 50 0 GFAARM COc1ccc(OC)c(C[C@H](C(=O)Nc2cccc(C)c2C)c2nnn[n-]2)c1 ZINC000006207517 570471710 /nfs/dbraw/zinc/47/17/10/570471710.db2.gz XHYZEZZOPXNJSU-INIZCTEOSA-N -1 0 381.436 2.799 50 0 GFAARM CC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000006561947 570478565 /nfs/dbraw/zinc/47/85/65/570478565.db2.gz WNXHZIFSZWWLGL-XMHGGMMESA-N -1 0 394.475 2.985 50 0 GFAARM COc1ccc(C)cc1-n1nnnc1SCc1nc(=O)c2sccc2[n-]1 ZINC000006619050 570506059 /nfs/dbraw/zinc/50/60/59/570506059.db2.gz VPXDCYRLMNXDTF-UHFFFAOYSA-N -1 0 386.462 2.570 50 0 GFAARM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000078726061 570509166 /nfs/dbraw/zinc/50/91/66/570509166.db2.gz QMLLCNSACJWILI-UHFFFAOYSA-N -1 0 375.381 2.819 50 0 GFAARM COc1cc(CCC(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000269048456 570511222 /nfs/dbraw/zinc/51/12/22/570511222.db2.gz UKHXKEJWVCJVAI-KRWDZBQOSA-N -1 0 389.370 2.892 50 0 GFAARM Cc1cc([O-])c(C2=Nc3c(C(N)=O)cnn3[C@H](c3cccc(Cl)c3)C2)c(=O)o1 ZINC000006661574 570525320 /nfs/dbraw/zinc/52/53/20/570525320.db2.gz DLEPIQPUAUKDRO-AWEZNQCLSA-N -1 0 398.806 2.717 50 0 GFAARM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000008715481 570537479 /nfs/dbraw/zinc/53/74/79/570537479.db2.gz RDPAIGMPEFYWQG-UHFFFAOYSA-N -1 0 396.424 2.953 50 0 GFAARM COc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000036293792 570562744 /nfs/dbraw/zinc/56/27/44/570562744.db2.gz XVRJYMMZMYYTEE-QGZVFWFLSA-N -1 0 379.434 2.875 50 0 GFAARM Cc1c2c(cc(=O)n1CCc1ccc(O)cc1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012406552 570654005 /nfs/dbraw/zinc/65/40/05/570654005.db2.gz BKRBIUPIGBVHKG-UHFFFAOYSA-N -1 0 379.391 2.876 50 0 GFAARM O=C([O-])[C@H](Cc1cc[nH]n1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002585976 570663050 /nfs/dbraw/zinc/66/30/50/570663050.db2.gz GFIVRGPOWWPVDJ-IBGZPJMESA-N -1 0 377.400 2.944 50 0 GFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)N[C@@H](C)c1ccccc1)c2=O ZINC000012415799 570669996 /nfs/dbraw/zinc/66/99/96/570669996.db2.gz HNKGVUONYIOSCG-LBPRGKRZSA-N -1 0 397.456 2.723 50 0 GFAARM Cc1nnc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])o1 ZINC000685945053 570675942 /nfs/dbraw/zinc/67/59/42/570675942.db2.gz QTDVOXWLVFKZKR-SFHVURJKSA-N -1 0 393.399 2.912 50 0 GFAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(N(C)C)c1 ZINC000006887618 570682166 /nfs/dbraw/zinc/68/21/66/570682166.db2.gz MPPBEZZSITVDRF-UHFFFAOYSA-N -1 0 393.509 2.994 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)c(F)c1 ZINC000065129107 570704992 /nfs/dbraw/zinc/70/49/92/570704992.db2.gz QJWBRXWYAJULTN-UHFFFAOYSA-N -1 0 379.438 2.757 50 0 GFAARM CC[C@@H](C)C(=O)N1CCc2nc3cc(-c4ccc(OC)cc4)[n-]n3c(=O)c2C1 ZINC000097942115 570743580 /nfs/dbraw/zinc/74/35/80/570743580.db2.gz ZQCMPRTWLQXHGK-CYBMUJFWSA-N -1 0 380.448 2.629 50 0 GFAARM COc1cccc(NC(=O)c2c([O-])c3cnn(Cc4ccccc4)c3[nH]c2=O)c1 ZINC000065249856 570748566 /nfs/dbraw/zinc/74/85/66/570748566.db2.gz OHAOWZJWNMRJIU-UHFFFAOYSA-N -1 0 390.399 2.739 50 0 GFAARM CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)[O-])C1=O ZINC000007071245 570781420 /nfs/dbraw/zinc/78/14/20/570781420.db2.gz KZGVVHDYWRXGIZ-GYBQTFJISA-N -1 0 393.417 2.528 50 0 GFAARM CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000011325217 570794977 /nfs/dbraw/zinc/79/49/77/570794977.db2.gz PBZFJPPNXNFTON-UHFFFAOYSA-N -1 0 376.434 2.853 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4c(F)cccc4Cl)c=3c2=O)cc1 ZINC000004483424 570804715 /nfs/dbraw/zinc/80/47/15/570804715.db2.gz YCDYCTSTZLKMNI-HZPDHXFCSA-N -1 0 388.786 2.981 50 0 GFAARM CN(C[C@@H]1CCOC1)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237232259 570814577 /nfs/dbraw/zinc/81/45/77/570814577.db2.gz RIIGMEHUKSAZCO-NSHDSACASA-N -1 0 397.353 2.698 50 0 GFAARM COCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)cc1 ZINC000032803697 570822236 /nfs/dbraw/zinc/82/22/36/570822236.db2.gz ZYEGRXUKYQGDOD-UHFFFAOYSA-N -1 0 397.474 2.933 50 0 GFAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000299753084 570829850 /nfs/dbraw/zinc/82/98/50/570829850.db2.gz WTOVBYGEIFIDKW-FQEVSTJZSA-N -1 0 394.427 2.730 50 0 GFAARM Cc1nc2ccccc2n1CC(=O)n1cc(C(=O)c2cc(F)ccc2[O-])cn1 ZINC000012531927 570834174 /nfs/dbraw/zinc/83/41/74/570834174.db2.gz ALTVLKGKTKBJPI-UHFFFAOYSA-N -1 0 378.363 2.957 50 0 GFAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000373031809 570836035 /nfs/dbraw/zinc/83/60/35/570836035.db2.gz YNVHVWJXJCWVCM-JOYOIKCWSA-N -1 0 391.777 2.656 50 0 GFAARM O=C1N[C@H](c2cccc(F)c2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000102829262 570866321 /nfs/dbraw/zinc/86/63/21/570866321.db2.gz UVQRIPDTBBUCDQ-YWPYICTPSA-N -1 0 388.342 2.991 50 0 GFAARM COC(=O)c1ccccc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000009870375 570886468 /nfs/dbraw/zinc/88/64/68/570886468.db2.gz INAHNTNIZZRBSW-OAHLLOKOSA-N -1 0 385.397 2.596 50 0 GFAARM O=C([O-])CN(C(=O)c1csc(Cc2ccccc2F)n1)C1CCOCC1 ZINC000238115437 570896963 /nfs/dbraw/zinc/89/69/63/570896963.db2.gz HPDVYIBHLIVUER-UHFFFAOYSA-N -1 0 378.425 2.579 50 0 GFAARM O=C([O-])CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1 ZINC000004062246 570927622 /nfs/dbraw/zinc/92/76/22/570927622.db2.gz RXQOJHKVIPLLIW-UHFFFAOYSA-N -1 0 398.469 2.869 50 0 GFAARM CCCC[C@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002096002 570941351 /nfs/dbraw/zinc/94/13/51/570941351.db2.gz AFAYYSBPZRDRBU-HNNXBMFYSA-N -1 0 375.421 2.802 50 0 GFAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000002103605 570942698 /nfs/dbraw/zinc/94/26/98/570942698.db2.gz YGSACYKGVCBPLQ-UHFFFAOYSA-N -1 0 387.432 2.747 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002107803 570948742 /nfs/dbraw/zinc/94/87/42/570948742.db2.gz IBCZDZZYWPWXAW-ZMZPIMSZSA-N -1 0 389.448 2.967 50 0 GFAARM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(Br)c1O ZINC000004739725 570953889 /nfs/dbraw/zinc/95/38/89/570953889.db2.gz ULBWTQCWZBBKSQ-BJMVGYQFSA-N -1 0 386.227 2.808 50 0 GFAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)N[C@H](C)c3ccccc3)C2=O)cc1 ZINC000001295002 570956257 /nfs/dbraw/zinc/95/62/57/570956257.db2.gz REUKBKNXAOCFEW-JGTOSJCVSA-N -1 0 379.416 2.903 50 0 GFAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002124291 570956617 /nfs/dbraw/zinc/95/66/17/570956617.db2.gz KKGJKNOQCPDVMW-DJJJIMSYSA-N -1 0 381.384 2.811 50 0 GFAARM Cc1c(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cnn1C ZINC000047459031 570957697 /nfs/dbraw/zinc/95/76/97/570957697.db2.gz JDEZDLCWRIRHJO-UHFFFAOYSA-N -1 0 376.463 2.843 50 0 GFAARM CCOC(=O)N1CCN(c2ccc(NC(=O)CC(C)C)c(C(=O)[O-])c2)CC1 ZINC000045967693 570973674 /nfs/dbraw/zinc/97/36/74/570973674.db2.gz JZASNZBEMLRTSL-UHFFFAOYSA-N -1 0 377.441 2.648 50 0 GFAARM NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012741002 570985173 /nfs/dbraw/zinc/98/51/73/570985173.db2.gz LBYZDGRHUSPLCR-UHFFFAOYSA-N -1 0 395.289 2.583 50 0 GFAARM CN(CCC(=O)[O-])C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000299742305 597012074 /nfs/dbraw/zinc/01/20/74/597012074.db2.gz BANQYBBXMDUQSD-UHFFFAOYSA-N -1 0 382.342 2.710 50 0 GFAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1cccs1 ZINC000299749514 600853802 /nfs/dbraw/zinc/85/38/02/600853802.db2.gz KNWVDFPHPKBNAC-LBPRGKRZSA-N -1 0 393.852 2.877 50 0 GFAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]CCc3ccc(Cl)cc3)c2=O)s1 ZINC000008589413 654485918 /nfs/dbraw/zinc/48/59/18/654485918.db2.gz NEQLYLYZFQPVEF-UHFFFAOYSA-N -1 0 397.909 2.547 50 0 GFAARM Cc1nn(C)c(Sc2ccccn2)c1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000888095866 663178154 /nfs/dbraw/zinc/17/81/54/663178154.db2.gz COWLKPVRKLNTFP-ZDUSSCGKSA-N -1 0 382.511 2.586 50 0 GFAARM O=C([O-])c1ccc(CNC(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000426701592 231254280 /nfs/dbraw/zinc/25/42/80/231254280.db2.gz KLLCZZIFNGBRTB-FQEVSTJZSA-N -1 0 382.460 2.910 50 0 GFAARM COc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000017207261 210208261 /nfs/dbraw/zinc/20/82/61/210208261.db2.gz ZUJNLTTXXIJYAH-ATVHPVEESA-N -1 0 381.388 2.673 50 0 GFAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 ZINC000017076986 210201825 /nfs/dbraw/zinc/20/18/25/210201825.db2.gz WKSIYLJMSIUWGQ-NWDGAFQWSA-N -1 0 376.478 2.959 50 0 GFAARM O=C1O[C@@H](c2c([O-])[nH]c(=O)n(-c3cccc4ccccc43)c2=O)c2ccccc21 ZINC000017028622 210201439 /nfs/dbraw/zinc/20/14/39/210201439.db2.gz NQAWUNFLROICOU-GOSISDBHSA-N -1 0 386.363 2.644 50 0 GFAARM Cc1cccc(CS(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)c1 ZINC000016579749 210190615 /nfs/dbraw/zinc/19/06/15/210190615.db2.gz KNORJGZEVDWRPT-QGZVFWFLSA-N -1 0 388.489 2.846 50 0 GFAARM CS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000013173315 210053475 /nfs/dbraw/zinc/05/34/75/210053475.db2.gz DFOFIOYRFORAAK-OAHLLOKOSA-N -1 0 381.837 2.689 50 0 GFAARM COc1ccc(C)cc1NC(=O)CSc1nc([O-])cc(=O)n1CC(C)C ZINC000013040420 210050079 /nfs/dbraw/zinc/05/00/79/210050079.db2.gz QPKCAIMJLDSTOJ-UHFFFAOYSA-N -1 0 377.466 2.653 50 0 GFAARM CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000013262332 210054663 /nfs/dbraw/zinc/05/46/63/210054663.db2.gz YVDKMPDHVRTHIP-UHFFFAOYSA-N -1 0 390.461 2.976 50 0 GFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccccc1 ZINC000008183639 209766111 /nfs/dbraw/zinc/76/61/11/209766111.db2.gz OGZHGUCCIBMQAQ-UHFFFAOYSA-N -1 0 384.461 2.757 50 0 GFAARM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cccs1 ZINC000008132906 209762502 /nfs/dbraw/zinc/76/25/02/209762502.db2.gz UVTHPCAWAUTSDO-UHFFFAOYSA-N -1 0 377.425 2.889 50 0 GFAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000005953973 209624329 /nfs/dbraw/zinc/62/43/29/209624329.db2.gz ZQMYMMLWEHGEMP-UTUOFQBUSA-N -1 0 376.478 2.967 50 0 GFAARM Cc1nn(C)c(C)c1C(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002777598 209384094 /nfs/dbraw/zinc/38/40/94/209384094.db2.gz JVEXXQZOINLXRG-SECBINFHSA-N -1 0 385.493 2.625 50 0 GFAARM CCn1cc(S(=O)(=O)[N-]c2cnn(COc3cccc(Cl)c3)c2)cn1 ZINC000002804329 209388436 /nfs/dbraw/zinc/38/84/36/209388436.db2.gz BWQOVMJJRRCPAL-UHFFFAOYSA-N -1 0 381.845 2.590 50 0 GFAARM COc1ccc(-c2cnc(S([O-])=CC(=O)NCc3ccccc3)n2C)cc1 ZINC000009828763 209319006 /nfs/dbraw/zinc/31/90/06/209319006.db2.gz PZECVFWRBRAJPD-MHZLTWQESA-N -1 0 383.473 2.520 50 0 GFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000794195 209264925 /nfs/dbraw/zinc/26/49/25/209264925.db2.gz WKLJTSBXAWSUKP-IRXDYDNUSA-N -1 0 394.493 2.691 50 0 GFAARM O=C([O-])c1cc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1NCc1cccnc1 ZINC000013151573 209193988 /nfs/dbraw/zinc/19/39/88/209193988.db2.gz PMIVVJRCJYEVKM-HOTGVXAUSA-N -1 0 377.400 2.848 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2COc3ccccc3C2)cc1OC ZINC000013257267 209164544 /nfs/dbraw/zinc/16/45/44/209164544.db2.gz WFVOYHYASFCENQ-HOTGVXAUSA-N -1 0 385.416 2.587 50 0 GFAARM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43COS(=O)(=O)[O-])[C@H]1CCC2=O ZINC000253614973 211993154 /nfs/dbraw/zinc/99/31/54/211993154.db2.gz OFAHVPXLWWIVAF-CBXRHLNTSA-N -1 0 384.494 2.679 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000004763710 209140389 /nfs/dbraw/zinc/14/03/89/209140389.db2.gz GTXSTEDIVHHJQL-KBMXLJTQSA-N -1 0 396.509 2.650 50 0 GFAARM COCCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(C)cc4)nc-3c2c1 ZINC000101281972 211395886 /nfs/dbraw/zinc/39/58/86/211395886.db2.gz YRMWKQGXBBUQPI-UHFFFAOYSA-N -1 0 390.443 2.893 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100563723 211389368 /nfs/dbraw/zinc/38/93/68/211389368.db2.gz QMSRKXOPQMMKMS-RDJZCZTQSA-N -1 0 397.818 2.637 50 0 GFAARM CC1(C)CC(=O)C(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)=C([O-])C1 ZINC000100687420 211387851 /nfs/dbraw/zinc/38/78/51/211387851.db2.gz JSWGHDKLVHUHMF-UHFFFAOYSA-N -1 0 391.489 2.916 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1 ZINC000095989461 211293060 /nfs/dbraw/zinc/29/30/60/211293060.db2.gz ANRCGNRENGMCOC-CYBMUJFWSA-N -1 0 378.226 2.618 50 0 GFAARM Cc1nc2cc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)ccc2n1-c1ccccc1 ZINC000095970715 211289488 /nfs/dbraw/zinc/28/94/88/211289488.db2.gz PHDFTYYPTFYMEY-KRWDZBQOSA-N -1 0 379.416 2.650 50 0 GFAARM COc1cc(CCC(=O)N(CC(=O)[O-])Cc2ccccc2)cc(OC)c1OC ZINC000095463878 211244614 /nfs/dbraw/zinc/24/46/14/211244614.db2.gz FQRLJPDVCMTQCL-UHFFFAOYSA-N -1 0 387.432 2.758 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C(C)(C)C)on2)c(OC)c1 ZINC000095464082 211243776 /nfs/dbraw/zinc/24/37/76/211243776.db2.gz AQKRFTSTMPLZPM-CYBMUJFWSA-N -1 0 376.409 2.935 50 0 GFAARM COc1ccc(Cl)cc1[C@H](C(=O)[O-])N1CCN(Cc2cccnc2)CC1 ZINC000095387408 211234854 /nfs/dbraw/zinc/23/48/54/211234854.db2.gz MINHAVXZFDAGOP-GOSISDBHSA-N -1 0 375.856 2.687 50 0 GFAARM CCOc1ccccc1CCCNC(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000091656561 211201608 /nfs/dbraw/zinc/20/16/08/211201608.db2.gz KCDJQDABJNTGOM-UHFFFAOYSA-N -1 0 381.432 2.504 50 0 GFAARM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1cccnc1 ZINC000072191547 211083963 /nfs/dbraw/zinc/08/39/63/211083963.db2.gz LBWNFXLHPJRAQX-UHFFFAOYSA-N -1 0 383.433 2.789 50 0 GFAARM CC(=O)N[C@H](C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC000072268460 211084015 /nfs/dbraw/zinc/08/40/15/211084015.db2.gz DGGSYHPTTFXQKC-KRWDZBQOSA-N -1 0 399.472 2.856 50 0 GFAARM Cn1cnc2cc(C(=O)N3CCC[C@@H](Cc4ccc(C(=O)[O-])cc4)C3)cnc21 ZINC000072133722 211073405 /nfs/dbraw/zinc/07/34/05/211073405.db2.gz MALUOVINUXLIAF-HNNXBMFYSA-N -1 0 378.432 2.761 50 0 GFAARM CS(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000299338348 210801137 /nfs/dbraw/zinc/80/11/37/210801137.db2.gz FTDAEVZVCXJBFP-KMUNFCNLSA-N -1 0 385.869 2.601 50 0 GFAARM CSc1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)s1 ZINC000021524226 210384260 /nfs/dbraw/zinc/38/42/60/210384260.db2.gz JKTOOXVPJUQECK-UHFFFAOYSA-N -1 0 376.419 2.939 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)cc1Cl ZINC000020921846 210369529 /nfs/dbraw/zinc/36/95/29/210369529.db2.gz QHGHRQGXWQPESS-UHFFFAOYSA-N -1 0 399.881 2.836 50 0 GFAARM Cc1nn(-c2nnc(C)c(=O)[n-]2)c(C)c1SCC(=O)Nc1ccc(F)cc1 ZINC000008670100 221048212 /nfs/dbraw/zinc/04/82/12/221048212.db2.gz HOQAAHQSUZRRTO-UHFFFAOYSA-N -1 0 388.428 2.558 50 0 GFAARM O=C([O-])[C@H]1CC2(CN1C(=O)C1CC1)CCN(c1nccc3ccccc31)CC2 ZINC000072475173 136171384 /nfs/dbraw/zinc/17/13/84/136171384.db2.gz CJNGQJRAQNHLHO-GOSISDBHSA-N -1 0 379.460 2.917 50 0 GFAARM Cc1nc(CNC2CCN(c3cc(C)nc(-c4ccccc4[O-])n3)CC2)no1 ZINC000095531587 136181893 /nfs/dbraw/zinc/18/18/93/136181893.db2.gz DZMMDBIWRGTBIP-UHFFFAOYSA-N -1 0 380.452 2.608 50 0 GFAARM Cc1cccnc1[C@H](C)Nc1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1 ZINC000096136355 136184111 /nfs/dbraw/zinc/18/41/11/136184111.db2.gz LMJZVSZMRUVXLE-AWEZNQCLSA-N -1 0 385.468 2.552 50 0 GFAARM CN(C)c1nc(N2CCCCC2)ncc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000206734038 136199309 /nfs/dbraw/zinc/19/93/09/136199309.db2.gz PXYXFHFQJYXRPT-UHFFFAOYSA-N -1 0 397.451 2.612 50 0 GFAARM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3C(=O)OC)ccc21 ZINC000096399782 535430874 /nfs/dbraw/zinc/43/08/74/535430874.db2.gz CWNPKXHNKPDIHR-UHFFFAOYSA-N -1 0 388.445 2.573 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(N)=O)c(Cl)cc1Cl ZINC000007781571 551101593 /nfs/dbraw/zinc/10/15/93/551101593.db2.gz ZHGLWZBWIGWUAY-UHFFFAOYSA-N -1 0 375.233 2.902 50 0 GFAARM [O-]c1c(Cl)nc(I)cc1I ZINC000040566597 551134919 /nfs/dbraw/zinc/13/49/19/551134919.db2.gz FENUVBOVGRYYOF-UHFFFAOYSA-N -1 0 381.338 2.650 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1 ZINC000064919571 551185420 /nfs/dbraw/zinc/18/54/20/551185420.db2.gz GZFMPWHYRIEDKE-UHFFFAOYSA-N -1 0 380.491 2.722 50 0 GFAARM CCOC(=O)c1nc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c[nH]1 ZINC000170617388 551635921 /nfs/dbraw/zinc/63/59/21/551635921.db2.gz WPHYCEZJLGMWBE-UHFFFAOYSA-N -1 0 377.344 2.547 50 0 GFAARM Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nnnn2C(C)C)s1 ZINC000181796795 552267736 /nfs/dbraw/zinc/26/77/36/552267736.db2.gz UUFCNTSAUSCUPH-UHFFFAOYSA-N -1 0 378.483 2.795 50 0 GFAARM O=C(CC1(O)CCCCC1)Nc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000225555449 553059430 /nfs/dbraw/zinc/05/94/30/553059430.db2.gz XPTDQNUIIDZWJQ-UHFFFAOYSA-N -1 0 380.388 2.972 50 0 GFAARM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C1CCOCC1 ZINC000238104716 553086325 /nfs/dbraw/zinc/08/63/25/553086325.db2.gz GLCSTPAHHQSDFF-CABCVRRESA-N -1 0 382.254 2.645 50 0 GFAARM Cc1csc(-c2cccc(C(=O)[N-]S(=O)(=O)c3ncccc3F)c2)n1 ZINC000252483832 553149486 /nfs/dbraw/zinc/14/94/86/553149486.db2.gz FJNLTBVVSWGCQW-UHFFFAOYSA-N -1 0 377.422 2.771 50 0 GFAARM O=C([O-])c1cc2cc(NC(=O)[C@H]3CC34CCS(=O)(=O)CC4)ccc2s1 ZINC000263288948 553185231 /nfs/dbraw/zinc/18/52/31/553185231.db2.gz QLTVLOBNCPIKOK-GFCCVEGCSA-N -1 0 379.459 2.753 50 0 GFAARM CCOc1c(Br)cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000299745627 563390639 /nfs/dbraw/zinc/39/06/39/563390639.db2.gz RMNGQJZREHAVJZ-INIZCTEOSA-N -1 0 386.242 2.793 50 0 GFAARM C[C@H]1C[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)c2ccsc2S1(=O)=O ZINC000292053658 563771987 /nfs/dbraw/zinc/77/19/87/563771987.db2.gz SXOUOOCCFXAKDB-WKEGUHRASA-N -1 0 391.392 2.908 50 0 GFAARM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237040322 570324774 /nfs/dbraw/zinc/32/47/74/570324774.db2.gz DWRFTNUKFHFVIS-IBGZPJMESA-N -1 0 380.444 2.843 50 0 GFAARM CSCC[C@@H](NC(=O)c1cnc2ccccc2c1O)c1nnc2ccccn21 ZINC000053794789 570342019 /nfs/dbraw/zinc/34/20/19/570342019.db2.gz SMWFMTXVFMMMMN-MRXNPFEDSA-N -1 0 393.472 2.795 50 0 GFAARM COC(=O)C[C@@H](c1ccc(F)c(F)c1F)c1c(=O)nc2ccccn2c1[O-] ZINC000205968295 570346034 /nfs/dbraw/zinc/34/60/34/570346034.db2.gz BJCAWBHSHZSICA-JTQLQIEISA-N -1 0 378.306 2.512 50 0 GFAARM COc1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000003444208 570346335 /nfs/dbraw/zinc/34/63/35/570346335.db2.gz YVARDKXZACNYEJ-UHFFFAOYSA-N -1 0 375.446 2.502 50 0 GFAARM CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1 ZINC000004099034 570357403 /nfs/dbraw/zinc/35/74/03/570357403.db2.gz NOCJXYPHIIZEHN-UHFFFAOYSA-N -1 0 399.397 2.719 50 0 in-man GFAARM C[C@H](C(=O)NCCc1nc(C(=O)[O-])cs1)N1C(=O)c2cccc3cccc1c23 ZINC000219932403 570378676 /nfs/dbraw/zinc/37/86/76/570378676.db2.gz SSUQWLHQAWOLDI-LLVKDONJSA-N -1 0 395.440 2.702 50 0 GFAARM CN(Cc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000024528902 570385197 /nfs/dbraw/zinc/38/51/97/570385197.db2.gz YOSSQCGXIZHAQY-UHFFFAOYSA-N -1 0 398.444 2.643 50 0 GFAARM COC(=O)[C@]([N-]c1nccs1)(NC(=O)c1ccc(F)cc1)C(F)(F)F ZINC000004602496 570387104 /nfs/dbraw/zinc/38/71/04/570387104.db2.gz JSCGWCQRZPZDGY-CYBMUJFWSA-N -1 0 377.319 2.556 50 0 GFAARM O=S(=O)([N-]c1nccs1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000004662704 570390678 /nfs/dbraw/zinc/39/06/78/570390678.db2.gz GJBQYJGIDGHANX-UHFFFAOYSA-N -1 0 395.487 2.745 50 0 GFAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000004760116 570404195 /nfs/dbraw/zinc/40/41/95/570404195.db2.gz SLQMUASKUOLVIO-RTBURBONSA-N -1 0 396.443 2.600 50 0 GFAARM O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000237960905 570417420 /nfs/dbraw/zinc/41/74/20/570417420.db2.gz PTUGXVVFWKSSJS-WMZOPIPTSA-N -1 0 384.407 2.506 50 0 GFAARM O=C([O-])c1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n(-c2ccccc2)n1 ZINC000237980892 570417965 /nfs/dbraw/zinc/41/79/65/570417965.db2.gz LUBGLDCZGHJEHK-LJQANCHMSA-N -1 0 395.390 2.923 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000238031828 570420867 /nfs/dbraw/zinc/42/08/67/570420867.db2.gz KIDJATWPCHPJHE-LJQANCHMSA-N -1 0 379.391 2.592 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)[O-] ZINC000011866806 570441911 /nfs/dbraw/zinc/44/19/11/570441911.db2.gz GQEDXGPXHWISOL-ZMZPIMSZSA-N -1 0 375.421 2.713 50 0 GFAARM O=C(CSc1n[nH]c(-c2cccs2)n1)NC[C@H]1COc2ccccc2O1 ZINC000005216288 570513018 /nfs/dbraw/zinc/51/30/18/570513018.db2.gz POFLONLIVORNRC-NSHDSACASA-N -1 0 388.474 2.582 50 0 GFAARM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115483 570520655 /nfs/dbraw/zinc/52/06/55/570520655.db2.gz VUOXHXZIKKKTKU-UHFFFAOYSA-N -1 0 394.518 2.733 50 0 GFAARM CC(C)NC(=O)CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974367 570524423 /nfs/dbraw/zinc/52/44/23/570524423.db2.gz NFWYAOVCVGUQIY-UHFFFAOYSA-N -1 0 377.466 2.873 50 0 GFAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C ZINC000064787718 570544498 /nfs/dbraw/zinc/54/44/98/570544498.db2.gz CJAQLMWQASKQRB-UHFFFAOYSA-N -1 0 385.445 2.945 50 0 GFAARM CCOc1ccc2nc([N-][C@@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000009109419 570549574 /nfs/dbraw/zinc/54/95/74/570549574.db2.gz KXWCCYHBXGCBIV-AWEZNQCLSA-N -1 0 391.371 2.675 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000005329644 570554767 /nfs/dbraw/zinc/55/47/67/570554767.db2.gz ZBYLUCNSCCRYCF-UHFFFAOYSA-N -1 0 376.434 2.631 50 0 GFAARM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])cc2)cc1 ZINC000036293938 570563038 /nfs/dbraw/zinc/56/30/38/570563038.db2.gz QOCWUJXBVZXHJA-KRWDZBQOSA-N -1 0 395.502 2.847 50 0 GFAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)n(C)c2C)cc1 ZINC000064922037 570593468 /nfs/dbraw/zinc/59/34/68/570593468.db2.gz JVNDZIJMNNOBKM-UHFFFAOYSA-N -1 0 389.477 2.573 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c(OC)c1 ZINC000006878171 570669705 /nfs/dbraw/zinc/66/97/05/570669705.db2.gz XAADMHOPZKSBNM-GFCCVEGCSA-N -1 0 390.461 2.802 50 0 GFAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)cc1 ZINC000065119260 570702752 /nfs/dbraw/zinc/70/27/52/570702752.db2.gz BDRHJNMEAMXDBU-UHFFFAOYSA-N -1 0 375.431 2.502 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000072401991 570738266 /nfs/dbraw/zinc/73/82/66/570738266.db2.gz CYAPCHAICAWBEA-UHFFFAOYSA-N -1 0 392.202 2.979 50 0 GFAARM CCn1cc([C@@H]2CC(c3c([O-])[nH]c(=O)sc3=O)=Nc3ccccc3N2)c(C)n1 ZINC000036621272 570765341 /nfs/dbraw/zinc/76/53/41/570765341.db2.gz CSDFQPAJZKHUGI-AWEZNQCLSA-N -1 0 397.460 2.705 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000101416297 570822500 /nfs/dbraw/zinc/82/25/00/570822500.db2.gz MWPJGZIMRRIFHU-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CCc4ccc(OC)cc4)c=3c2=O)cc1 ZINC000101418444 570822743 /nfs/dbraw/zinc/82/27/43/570822743.db2.gz DCCASTXPYFBYFK-MOPGFXCFSA-N -1 0 378.432 2.794 50 0 GFAARM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43COS(=O)(=O)[O-])[C@H]1CCC2=O ZINC000253614974 570824973 /nfs/dbraw/zinc/82/49/73/570824973.db2.gz OFAHVPXLWWIVAF-FLDBGCDGSA-N -1 0 384.494 2.679 50 0 GFAARM CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])=NN1 ZINC000101762170 570832743 /nfs/dbraw/zinc/83/27/43/570832743.db2.gz XFWMKAANDDIDQS-HNNXBMFYSA-N -1 0 398.463 2.585 50 0 GFAARM COc1ccc2c(C)c(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc2c1C ZINC000002107692 570948502 /nfs/dbraw/zinc/94/85/02/570948502.db2.gz MVKNCJSTPHJRAC-KRWDZBQOSA-N -1 0 375.421 2.576 50 0 GFAARM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2OC)cc1 ZINC000047367475 570954759 /nfs/dbraw/zinc/95/47/59/570954759.db2.gz PDKIEISJGXWBSM-UHFFFAOYSA-N -1 0 398.506 2.527 50 0 GFAARM O=S(=O)([N-]c1cccc2c[nH]nc21)c1ccc(I)cc1 ZINC000001427075 571001224 /nfs/dbraw/zinc/00/12/24/571001224.db2.gz QPZROZJGHPWUBI-UHFFFAOYSA-N -1 0 399.213 2.968 50 0 GFAARM CN(C[C@@H]1COCCO1)c1ccc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000046053544 571015210 /nfs/dbraw/zinc/01/52/10/571015210.db2.gz NJFCYGKDTQANKO-CYBMUJFWSA-N -1 0 376.434 2.550 50 0 GFAARM Cc1cc(COc2ccccc2)oc1C(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000095517937 571085235 /nfs/dbraw/zinc/08/52/35/571085235.db2.gz LSDUWIXMTWBCDH-KRWDZBQOSA-N -1 0 381.388 2.542 50 0 GFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)COc1ccc(Br)cc1 ZINC000000754458 599760485 /nfs/dbraw/zinc/76/04/85/599760485.db2.gz YTQLPFOFYAZLCD-HNNXBMFYSA-N -1 0 378.222 2.640 50 0 GFAARM O=C([O-])[C@H]1CCN(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)C1 ZINC000417759177 599819118 /nfs/dbraw/zinc/81/91/18/599819118.db2.gz PRDMSQPENQOQAC-AWEZNQCLSA-N -1 0 385.395 2.945 50 0 GFAARM COc1ccc(-c2nc(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)cs2)cc1OC ZINC000032089677 600014548 /nfs/dbraw/zinc/01/45/48/600014548.db2.gz OEMQDTARVVVMFG-CYBMUJFWSA-N -1 0 390.461 2.693 50 0 GFAARM Cc1ccc(CNC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000004193586 654442911 /nfs/dbraw/zinc/44/29/11/654442911.db2.gz ASUBAPMUJWHUIU-UHFFFAOYSA-N -1 0 375.475 2.515 50 0 GFAARM CO[N-]C(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000008768058 654487256 /nfs/dbraw/zinc/48/72/56/654487256.db2.gz OQYWDHPCNXNEFO-JTQLQIEISA-N -1 0 375.475 2.951 50 0 GFAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccccc1I ZINC000039956956 654619538 /nfs/dbraw/zinc/61/95/38/654619538.db2.gz CWZBNWWTMMVCJC-SNVBAGLBSA-N -1 0 377.178 2.942 50 0 GFAARM O=C(/C=C/c1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268540 654637277 /nfs/dbraw/zinc/63/72/77/654637277.db2.gz ILRORPMNEQDQGA-QPJJXVBHSA-N -1 0 379.821 2.630 50 0 GFAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(OC(F)F)cc2)s1 ZINC000170650532 655144641 /nfs/dbraw/zinc/14/46/41/655144641.db2.gz RKNNFPLZZWBUTJ-VMPITWQZSA-N -1 0 388.417 2.880 50 0 GFAARM O=C1NC(=S)NC1=Cc1cc(Br)c([O-])c(Br)c1 ZINC000016383265 210188817 /nfs/dbraw/zinc/18/88/17/210188817.db2.gz SPEXCGVBDVZFJX-XVNBXDOJSA-N -1 0 378.045 2.674 50 0 GFAARM COc1ccc(CNC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000014181221 210106818 /nfs/dbraw/zinc/10/68/18/210106818.db2.gz KZKJVOBARUSLGE-UHFFFAOYSA-N -1 0 383.423 2.871 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NC3Cc4ccccc4C3)cc2s1 ZINC000013685159 210079724 /nfs/dbraw/zinc/07/97/24/210079724.db2.gz RJWCRHHBFJXTMO-UHFFFAOYSA-N -1 0 387.486 2.565 50 0 GFAARM Cc1nc(=O)c2sc3nc(N4CCOCC4)c4c(c3c2[n-]1)CC(C)(C)OC4 ZINC000013570331 210068876 /nfs/dbraw/zinc/06/88/76/210068876.db2.gz YKJGOULFDPOUGR-UHFFFAOYSA-N -1 0 386.477 2.529 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 ZINC000013427565 210061573 /nfs/dbraw/zinc/06/15/73/210061573.db2.gz IXMSUSZGWRURMA-KRWDZBQOSA-N -1 0 382.420 2.967 50 0 GFAARM CCOc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc(Br)c1OC ZINC000013170855 210053198 /nfs/dbraw/zinc/05/31/98/210053198.db2.gz RLQHWTNNMPZSNV-JTQLQIEISA-N -1 0 386.242 2.793 50 0 GFAARM CS(=O)(=O)c1ccccc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000013173297 210052669 /nfs/dbraw/zinc/05/26/69/210052669.db2.gz AZJUGIPRLPAATO-CQSZACIVSA-N -1 0 381.837 2.689 50 0 GFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCCOc1ccccc1F ZINC000013235146 210055280 /nfs/dbraw/zinc/05/52/80/210055280.db2.gz UXPBYEPGTNJHSI-QGZVFWFLSA-N -1 0 385.395 2.681 50 0 GFAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000008135414 209764437 /nfs/dbraw/zinc/76/44/37/209764437.db2.gz KEEUSHFLHOTZMU-SFHVURJKSA-N -1 0 393.443 2.886 50 0 GFAARM O=C(C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCCC1=CCCCC1 ZINC000006536319 209654925 /nfs/dbraw/zinc/65/49/25/209654925.db2.gz RPOTYJILPQOKEZ-INIZCTEOSA-N -1 0 382.489 2.751 50 0 GFAARM O=C([O-])c1ccc(NC(=O)[C@@H]2Cc3cc(Br)ccc3C(=O)O2)cc1 ZINC000005303357 209585954 /nfs/dbraw/zinc/58/59/54/209585954.db2.gz CTAKMTTXCBPNFV-AWEZNQCLSA-N -1 0 390.189 2.868 50 0 GFAARM CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000002148947 209348794 /nfs/dbraw/zinc/34/87/94/209348794.db2.gz HVYQNVUUFHVCHX-SFHVURJKSA-N -1 0 395.411 2.546 50 0 GFAARM Cc1c(C)c2ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c2oc1=O ZINC000002146324 209347005 /nfs/dbraw/zinc/34/70/05/209347005.db2.gz PINOXGKCXRLIHW-HNNXBMFYSA-N -1 0 375.421 2.713 50 0 GFAARM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)[O-] ZINC000002094534 209345955 /nfs/dbraw/zinc/34/59/55/209345955.db2.gz CTDJCYDSJKIMLD-LRDDRELGSA-N -1 0 375.421 2.882 50 0 GFAARM CCC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002097037 209346143 /nfs/dbraw/zinc/34/61/43/209346143.db2.gz PYYYPSSZELDUHL-OAHLLOKOSA-N -1 0 375.421 2.721 50 0 GFAARM O=S(=O)([N-]NC(=S)NCc1ccccc1)c1cc(Cl)ccc1Cl ZINC000001117480 209303052 /nfs/dbraw/zinc/30/30/52/209303052.db2.gz CDYCULNIIJBALY-UHFFFAOYSA-N -1 0 390.317 2.851 50 0 GFAARM CC(=O)N[C@@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000000939609 209281053 /nfs/dbraw/zinc/28/10/53/209281053.db2.gz QBJRNRDKTIWXDN-JTQLQIEISA-N -1 0 384.672 2.504 50 0 GFAARM C[C@H](O)[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938079 209280280 /nfs/dbraw/zinc/28/02/80/209280280.db2.gz XTMIDCQCTISXHT-KOWFMYAASA-N -1 0 387.002 2.730 50 0 GFAARM CC(=O)N[C@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000000939608 209280514 /nfs/dbraw/zinc/28/05/14/209280514.db2.gz QBJRNRDKTIWXDN-SNVBAGLBSA-N -1 0 384.672 2.504 50 0 GFAARM COc1ccc(-c2nc3c(c4cc(OC)c(OC)cc42)C(=O)[N-]C3=O)cc1OC ZINC000000689998 209260877 /nfs/dbraw/zinc/26/08/77/209260877.db2.gz SZMVTJZXKGXIEJ-UHFFFAOYSA-N -1 0 394.383 2.820 50 0 GFAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c1 ZINC000000645287 209253815 /nfs/dbraw/zinc/25/38/15/209253815.db2.gz PYDLVTMKJXKYSU-UHFFFAOYSA-N -1 0 382.869 2.930 50 0 GFAARM CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000000625681 209251812 /nfs/dbraw/zinc/25/18/12/209251812.db2.gz GPIOGTIFRDHWSB-GOSISDBHSA-N -1 0 398.484 2.880 50 0 in-vitro GFAARM COc1ccc(C2=NN(c3nc(C(=O)[O-])cs3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000005244318 212065004 /nfs/dbraw/zinc/06/50/04/212065004.db2.gz UPMXIGWXQKVXHL-AWEZNQCLSA-N -1 0 387.339 2.715 50 0 GFAARM COc1ccccc1C1=NN(c2nc(C(=O)[O-])cs2)[C@@](O)(C(F)(F)F)C1 ZINC000005243241 212065615 /nfs/dbraw/zinc/06/56/15/212065615.db2.gz FHYDXBRIFGNLFK-AWEZNQCLSA-N -1 0 387.339 2.715 50 0 GFAARM CCN1C(=O)N/C(=C\c2cccc(OC)c2OCc2cccc(C(=O)[O-])c2)C1=O ZINC000005408389 211568976 /nfs/dbraw/zinc/56/89/76/211568976.db2.gz QFXPXQAKGCQKEV-WJDWOHSUSA-N -1 0 396.399 2.885 50 0 GFAARM COCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2[n-]c1=S ZINC000003043630 211518676 /nfs/dbraw/zinc/51/86/76/211518676.db2.gz IXEZOTMWUCMYNV-HEHGZKQESA-N -1 0 389.521 2.886 50 0 GFAARM CCC1(CC)[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C[C@H]1OC ZINC000133270692 211482731 /nfs/dbraw/zinc/48/27/31/211482731.db2.gz MRXTWPOBAHMLPT-HUUCEWRRSA-N -1 0 375.494 2.546 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CCO1 ZINC000238143179 211478175 /nfs/dbraw/zinc/47/81/75/211478175.db2.gz GTVGUNGAHKJYRE-GOSISDBHSA-N -1 0 378.384 2.934 50 0 GFAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000238069802 211478041 /nfs/dbraw/zinc/47/80/41/211478041.db2.gz UWXYIWAKVOOKPQ-AWEZNQCLSA-N -1 0 380.853 2.994 50 0 GFAARM Cc1cccc(Cn2cccc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)c2=O)c1 ZINC000237708767 211474915 /nfs/dbraw/zinc/47/49/15/211474915.db2.gz GROYVYIZWFNXBX-QGZVFWFLSA-N -1 0 382.460 2.922 50 0 GFAARM Cc1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c(C)n1-c1nccs1 ZINC000237673340 211474459 /nfs/dbraw/zinc/47/44/59/211474459.db2.gz JSPOGJZDOIYAON-CQSZACIVSA-N -1 0 377.466 2.647 50 0 GFAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])CC2)nn1-c1ccc(Br)cc1 ZINC000237677102 211474210 /nfs/dbraw/zinc/47/42/10/211474210.db2.gz RCLIKHSLZRTZKL-UHFFFAOYSA-N -1 0 392.253 2.880 50 0 GFAARM COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237104990 211458451 /nfs/dbraw/zinc/45/84/51/211458451.db2.gz ZTOFSTFDTSNCPP-UONOGXRCSA-N -1 0 384.270 2.577 50 0 GFAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000100033310 211382250 /nfs/dbraw/zinc/38/22/50/211382250.db2.gz MQNMSQFOYXDPNX-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM Cc1ccc(Cl)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000100033314 211381985 /nfs/dbraw/zinc/38/19/85/211381985.db2.gz MQNMSQFOYXDPNX-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM Cc1c(Cl)cccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000100033303 211382023 /nfs/dbraw/zinc/38/20/23/211382023.db2.gz JSNCTMPYZZLIKS-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000100033385 211381339 /nfs/dbraw/zinc/38/13/39/211381339.db2.gz ACCQGHIXOMPUAC-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000100033413 211381297 /nfs/dbraw/zinc/38/12/97/211381297.db2.gz RRACYGINEVLGTQ-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM CC1(CS(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)CCCCC1 ZINC000097165068 211360353 /nfs/dbraw/zinc/36/03/53/211360353.db2.gz KTOGBPLBONBKDF-UHFFFAOYSA-N -1 0 380.510 2.871 50 0 GFAARM CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000097766634 211372149 /nfs/dbraw/zinc/37/21/49/211372149.db2.gz RQEKDLAYGGWAPB-UHFFFAOYSA-N -1 0 375.446 2.629 50 0 GFAARM CC[C@@H](NC(=O)c1cc(OC)cc(C(=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000097547572 211367394 /nfs/dbraw/zinc/36/73/94/211367394.db2.gz UOBMQVHRXSBXQJ-QGZVFWFLSA-N -1 0 391.445 2.678 50 0 GFAARM CC(C)(C)OC(=O)N1C[C@]2(CC2(Br)Br)C[C@H]1C(=O)[O-] ZINC000097436606 211365396 /nfs/dbraw/zinc/36/53/96/211365396.db2.gz HYIIWDPUZNALMC-WRWORJQWSA-N -1 0 399.079 2.957 50 0 GFAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1cccc(N2Cc3ccccc3C2)c1 ZINC000096152005 211312477 /nfs/dbraw/zinc/31/24/77/211312477.db2.gz OGCZKQDNDWNEQN-HXUWFJFHSA-N -1 0 388.427 2.582 50 0 GFAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000095970574 211289309 /nfs/dbraw/zinc/28/93/09/211289309.db2.gz YQDBKZZCUOTQGV-UHFFFAOYSA-N -1 0 380.444 2.749 50 0 GFAARM CCc1ccccc1[C@@H](C(=O)[O-])N1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000095521580 211268205 /nfs/dbraw/zinc/26/82/05/211268205.db2.gz SOQCQCZVYVMKLJ-NRFANRHFSA-N -1 0 382.460 2.728 50 0 GFAARM CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)c2ccncc2[O-])C1 ZINC000095511485 211262106 /nfs/dbraw/zinc/26/21/06/211262106.db2.gz IGCPQLKKOMIIFK-KRWDZBQOSA-N -1 0 396.491 2.516 50 0 GFAARM O=C([N-]S(=O)(=O)c1cc(F)ccc1F)c1cc(Cl)c2c(c1)OCCO2 ZINC000089769687 211184074 /nfs/dbraw/zinc/18/40/74/211184074.db2.gz FMUQWBJYPHZYIP-UHFFFAOYSA-N -1 0 389.763 2.508 50 0 GFAARM CSc1nn2c(nc(C)c(CC(=O)[O-])c2C)c1S(=O)(=O)c1ccccc1 ZINC000085392318 211175443 /nfs/dbraw/zinc/17/54/43/211175443.db2.gz RERABGPPNSQPQW-UHFFFAOYSA-N -1 0 391.474 2.528 50 0 GFAARM COc1ccc2c(C)c(C(=O)N3CCn4nc(CCC(=O)[O-])cc4C3)oc2c1 ZINC000072421955 211115893 /nfs/dbraw/zinc/11/58/93/211115893.db2.gz LKWWLMRYOQNVFK-UHFFFAOYSA-N -1 0 383.404 2.620 50 0 GFAARM COc1ccc(F)cc1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCC2)c1 ZINC000071750521 211055941 /nfs/dbraw/zinc/05/59/41/211055941.db2.gz VLUYNMAJETVCPR-UHFFFAOYSA-N -1 0 379.409 2.984 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1C[C@@H]1c1ccccc1F ZINC000069574008 211038818 /nfs/dbraw/zinc/03/88/18/211038818.db2.gz XKXXUWNIVBDHOF-CABCVRRESA-N -1 0 391.420 2.596 50 0 GFAARM COc1ccc(CNC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1C(=O)[O-] ZINC000299753450 210836843 /nfs/dbraw/zinc/83/68/43/210836843.db2.gz YGEGAJGHJTXGDK-FQEVSTJZSA-N -1 0 396.443 2.763 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000299751905 210836634 /nfs/dbraw/zinc/83/66/34/210836634.db2.gz SGKOSTBOJBMJHW-GOSISDBHSA-N -1 0 384.432 2.744 50 0 GFAARM COc1ccc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000299750412 210834883 /nfs/dbraw/zinc/83/48/83/210834883.db2.gz NKSHXQLMPIRKKN-UHFFFAOYSA-N -1 0 385.416 2.759 50 0 GFAARM COc1ccc(-c2nc(C)c(C(=O)N[C@H](C(=O)[O-])C(C)C)s2)cc1OC ZINC000040309048 210784695 /nfs/dbraw/zinc/78/46/95/210784695.db2.gz DIMLWSAXSMBOHD-AWEZNQCLSA-N -1 0 378.450 2.975 50 0 GFAARM CCCCN(C)c1ncc(NS(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000035397249 210683616 /nfs/dbraw/zinc/68/36/16/210683616.db2.gz UJZYKZFZANTGCE-UHFFFAOYSA-N -1 0 393.465 2.826 50 0 GFAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1 ZINC000022770029 210422655 /nfs/dbraw/zinc/42/26/55/210422655.db2.gz YFCBCBBFPDTAFR-RTBURBONSA-N -1 0 391.431 2.544 50 0 GFAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1F)N1CCc2ccccc21 ZINC000020807567 210363225 /nfs/dbraw/zinc/36/32/25/210363225.db2.gz RPRDTQLRYRRCLQ-UHFFFAOYSA-N -1 0 397.431 2.759 50 0 GFAARM NC(=O)[C@@H]1CCCN1[C@@H](C(=O)[O-])c1c[nH]c2cc(OCc3ccccc3)ccc21 ZINC000020732623 210359235 /nfs/dbraw/zinc/35/92/35/210359235.db2.gz KTDJJSNWLNTZSV-VQTJNVASSA-N -1 0 393.443 2.822 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1S(N)(=O)=O ZINC000020629602 210353723 /nfs/dbraw/zinc/35/37/23/210353723.db2.gz DWBOKFFPMZSEFQ-UHFFFAOYSA-N -1 0 395.289 2.750 50 0 GFAARM COc1ccc(-n2ccnc2CN2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)cc1 ZINC000426370658 533215844 /nfs/dbraw/zinc/21/58/44/533215844.db2.gz USWGOWOVTKRCMR-MRXNPFEDSA-N -1 0 395.463 2.542 50 0 GFAARM COc1ccc(C2(C(=O)N3CCN(c4ccc(C(=O)[O-])cc4)CC3)CC2)cc1 ZINC000223665510 136205751 /nfs/dbraw/zinc/20/57/51/136205751.db2.gz RRCXMOLMJUDKEM-UHFFFAOYSA-N -1 0 380.444 2.774 50 0 GFAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000426415308 534511171 /nfs/dbraw/zinc/51/11/71/534511171.db2.gz IKADPQTXEHVAHG-GFCCVEGCSA-N -1 0 379.819 2.709 50 0 GFAARM CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)n2)C[C@H]1C(=O)[O-] ZINC000169725724 534839022 /nfs/dbraw/zinc/83/90/22/534839022.db2.gz OIYGWURMCMMDJW-JTQLQIEISA-N -1 0 375.347 2.611 50 0 GFAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCN1C(=O)CCc2cc(F)ccc21 ZINC000237022309 536466094 /nfs/dbraw/zinc/46/60/94/536466094.db2.gz FIOGIJGQFSLPIV-UHFFFAOYSA-N -1 0 384.407 2.852 50 0 GFAARM COc1cccc2c1N(S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O)CCC2 ZINC000065513444 536959281 /nfs/dbraw/zinc/95/92/81/536959281.db2.gz LSDXCSIXVIRIQW-UHFFFAOYSA-N -1 0 377.418 2.549 50 0 GFAARM Cc1n[n-]c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1=O ZINC000005625766 551098313 /nfs/dbraw/zinc/09/83/13/551098313.db2.gz INSQTGOSGXPEKX-UHFFFAOYSA-N -1 0 378.763 2.876 50 0 GFAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000006315263 551098807 /nfs/dbraw/zinc/09/88/07/551098807.db2.gz WCZGYNSFVXMSAO-UHFFFAOYSA-N -1 0 385.825 2.929 50 0 GFAARM O=C(CCC1=Nc2ccccc2S(=O)(=O)[N-]1)NCc1cccc(Cl)c1 ZINC000011024011 551106393 /nfs/dbraw/zinc/10/63/93/551106393.db2.gz FHMQUDGHAWHVTO-UHFFFAOYSA-N -1 0 377.853 2.759 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1csc2c1CCCC2 ZINC000042268651 551139377 /nfs/dbraw/zinc/13/93/77/551139377.db2.gz KYAJBJXODHTTLU-UHFFFAOYSA-N -1 0 379.459 2.517 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000004535717 560198542 /nfs/dbraw/zinc/19/85/42/560198542.db2.gz BSRAGXJNZJMFMY-XIRDDKMYSA-N -1 0 378.469 2.943 50 0 in-vitro GFAARM O=C([O-])C[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccs1 ZINC000299742025 563390631 /nfs/dbraw/zinc/39/06/31/563390631.db2.gz ARZAVMYCRNZMNR-BXUZGUMPSA-N -1 0 376.459 2.883 50 0 GFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(-n3cc(Br)cn3)c2)C1 ZINC000299743580 563390792 /nfs/dbraw/zinc/39/07/92/563390792.db2.gz LLRNMUVJQXFMFM-MRXNPFEDSA-N -1 0 378.226 2.572 50 0 GFAARM CC(C)c1nc(S(=O)(=O)NCc2nccnc2-c2cccs2)cn1C ZINC000575619262 564701345 /nfs/dbraw/zinc/70/13/45/564701345.db2.gz BUPJKIIHKUKZQB-UHFFFAOYSA-N -1 0 377.495 2.541 50 0 GFAARM CNC(=O)c1cnc(/C=C\c2ccc(OCC(=O)[O-])c(Br)c2)s1 ZINC000463045882 564868013 /nfs/dbraw/zinc/86/80/13/564868013.db2.gz YJIRLFNTXUXJPM-HYXAFXHYSA-N -1 0 397.250 2.899 50 0 GFAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43COS(=O)(=O)[O-])[C@H]1CCC2=O ZINC000247653842 570232045 /nfs/dbraw/zinc/23/20/45/570232045.db2.gz OFAHVPXLWWIVAF-CWTKERLFSA-N -1 0 384.494 2.679 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2COc3ccccc3C2)cc1OC ZINC000013257266 570257955 /nfs/dbraw/zinc/25/79/55/570257955.db2.gz WFVOYHYASFCENQ-JKSUJKDBSA-N -1 0 385.416 2.587 50 0 GFAARM COc1ccccc1NC(=O)c1c([O-])c2cnn(Cc3ccccc3)c2[nH]c1=O ZINC000049411797 570266708 /nfs/dbraw/zinc/26/67/08/570266708.db2.gz YJHGCIZUNDNPFL-UHFFFAOYSA-N -1 0 390.399 2.739 50 0 GFAARM O=C([O-])c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000169818652 570273034 /nfs/dbraw/zinc/27/30/34/570273034.db2.gz LJQYSJNYSWZJQV-UHFFFAOYSA-N -1 0 380.519 2.762 50 0 GFAARM Cc1cccc(N(C)S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1C ZINC000053669674 570328020 /nfs/dbraw/zinc/32/80/20/570328020.db2.gz SETAIMLKIPXAGO-UHFFFAOYSA-N -1 0 377.418 2.598 50 0 GFAARM COC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c(=O)nc2ccccn2c1[O-] ZINC000205949625 570328205 /nfs/dbraw/zinc/32/82/05/570328205.db2.gz XMJGAEGJMFLCML-HNNXBMFYSA-N -1 0 378.384 2.523 50 0 GFAARM O=S(=O)([N-]C[C@](O)(c1ccccc1)C1CCOCC1)c1c(F)cccc1F ZINC000575613837 570339566 /nfs/dbraw/zinc/33/95/66/570339566.db2.gz WHIBXDYGMHECTG-IBGZPJMESA-N -1 0 397.443 2.558 50 0 GFAARM O=C1N[C@H](c2cccs2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000006222078 570343792 /nfs/dbraw/zinc/34/37/92/570343792.db2.gz SNYAFSBOUHECRX-BREBYQMCSA-N -1 0 376.381 2.914 50 0 GFAARM C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000237416239 570351227 /nfs/dbraw/zinc/35/12/27/570351227.db2.gz ZHJKUYHYTRQXDN-HZPDHXFCSA-N -1 0 382.460 2.924 50 0 GFAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000003884873 570353423 /nfs/dbraw/zinc/35/34/23/570353423.db2.gz DEVBMUHGZGUTTC-UHFFFAOYSA-N -1 0 398.843 2.688 50 0 GFAARM COC(=O)c1sc(-c2cccs2)cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000004297053 570366194 /nfs/dbraw/zinc/36/61/94/570366194.db2.gz CWLRQMIPEVAVJB-UHFFFAOYSA-N -1 0 383.476 2.798 50 0 GFAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)c1 ZINC000024260336 570381454 /nfs/dbraw/zinc/38/14/54/570381454.db2.gz ZVVDKGMOOSERQN-UHFFFAOYSA-N -1 0 385.825 2.945 50 0 GFAARM CN(C[C@H]1COCCO1)c1ccc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000035510966 570387977 /nfs/dbraw/zinc/38/79/77/570387977.db2.gz DLPJLOQEQDCRDS-AWEZNQCLSA-N -1 0 388.395 2.628 50 0 GFAARM COc1cccc(C[C@@H](C(=O)Nc2ccc(C)cc2C)c2nnn[n-]2)c1OC ZINC000005681742 570451517 /nfs/dbraw/zinc/45/15/17/570451517.db2.gz OOGQLMZJVGFIAM-OAHLLOKOSA-N -1 0 381.436 2.799 50 0 GFAARM CCCOc1c(Cl)cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1OCC ZINC000262706001 570455062 /nfs/dbraw/zinc/45/50/62/570455062.db2.gz DFAKFKBYEMRBDV-ZDUSSCGKSA-N -1 0 385.844 2.843 50 0 GFAARM Cc1nonc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000253181821 570527014 /nfs/dbraw/zinc/52/70/14/570527014.db2.gz HJWRMLQQDLSNPV-LJQANCHMSA-N -1 0 393.399 2.912 50 0 GFAARM COc1ccccc1CCN1C(=O)[C@]([O-])(C(F)(F)F)N=C1c1ccccc1 ZINC000005269918 570545831 /nfs/dbraw/zinc/54/58/31/570545831.db2.gz QKIWBFHQXODSCO-SFHVURJKSA-N -1 0 378.350 2.778 50 0 GFAARM O=C([O-])c1ccc(NC(=O)c2ccc(C=C3SC(=O)NC3=O)cc2)cc1O ZINC000005345509 570560735 /nfs/dbraw/zinc/56/07/35/570560735.db2.gz XONBQIKSDBEJAD-AUWJEWJLSA-N -1 0 384.369 2.667 50 0 GFAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c(C)n1C ZINC000064863250 570572013 /nfs/dbraw/zinc/57/20/13/570572013.db2.gz JFASOLXPDCTOQP-UHFFFAOYSA-N -1 0 378.450 2.822 50 0 GFAARM O=S(=O)([N-]c1cccc2c1OCC[C@@H]2O)c1cnn(-c2ccccc2F)c1 ZINC000225616636 570594701 /nfs/dbraw/zinc/59/47/01/570594701.db2.gz OBSVTRJCMSCRAE-KRWDZBQOSA-N -1 0 389.408 2.628 50 0 GFAARM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262553787 570677590 /nfs/dbraw/zinc/67/75/90/570677590.db2.gz XSIRWKAUWATUSY-ZDUSSCGKSA-N -1 0 396.852 2.610 50 0 GFAARM C[C@H](CC(=O)NCCc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000006914236 570700986 /nfs/dbraw/zinc/70/09/86/570700986.db2.gz NCPGZXKRLRNVOY-HNNXBMFYSA-N -1 0 385.489 2.784 50 0 GFAARM COCCCn1c2nc(-c3ccccc3F)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617305 570754737 /nfs/dbraw/zinc/75/47/37/570754737.db2.gz ZWTSDUGEZRGQEB-UHFFFAOYSA-N -1 0 389.408 2.995 50 0 GFAARM O=C([O-])C[C@H](NC(=O)[C@H]1CC12CCOCC2)c1ccc(Br)cc1 ZINC000170066337 570799229 /nfs/dbraw/zinc/79/92/29/570799229.db2.gz ZFCBUZYFESATAV-KGLIPLIRSA-N -1 0 382.254 2.898 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(F)c4)c=3c2=O)c1 ZINC000033114712 570813282 /nfs/dbraw/zinc/81/32/82/570813282.db2.gz KPDSLVOUPNFQGY-IAGOWNOFSA-N -1 0 384.367 2.649 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CCO1 ZINC000299752614 570829537 /nfs/dbraw/zinc/82/95/37/570829537.db2.gz UTUSSHLZFYBDQD-ZCNNSNEGSA-N -1 0 381.428 2.681 50 0 GFAARM C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000170592128 570851382 /nfs/dbraw/zinc/85/13/82/570851382.db2.gz JPXTYANJFCGXMN-RNCFNFMXSA-N -1 0 398.843 2.991 50 0 GFAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1)O[C@H](C)C2 ZINC000012583497 570879899 /nfs/dbraw/zinc/87/98/99/570879899.db2.gz GCAKUOLFWZHWPH-GFCCVEGCSA-N -1 0 391.445 2.996 50 0 GFAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1)O[C@@H](C)C2 ZINC000012583506 570879997 /nfs/dbraw/zinc/87/99/97/570879997.db2.gz GCAKUOLFWZHWPH-LBPRGKRZSA-N -1 0 391.445 2.996 50 0 GFAARM CCC(NCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000001269301 570951858 /nfs/dbraw/zinc/95/18/58/570951858.db2.gz WUVQYDREKHJECH-ISLYRVAYSA-N -1 0 381.407 2.858 50 0 GFAARM CCOc1ccc(NC(=O)c2cnc([N-]S(=O)(=O)c3ccccc3)nc2)cc1 ZINC000004742601 570956887 /nfs/dbraw/zinc/95/68/87/570956887.db2.gz JKJFRNUKOIFTPR-UHFFFAOYSA-N -1 0 398.444 2.928 50 0 GFAARM CN1C(=O)N[C@H](c2cccnc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000004140267 570962539 /nfs/dbraw/zinc/96/25/39/570962539.db2.gz FOMXGRXQNHKVHM-JMSVASOKSA-N -1 0 385.367 2.589 50 0 GFAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000252482972 570968097 /nfs/dbraw/zinc/96/80/97/570968097.db2.gz DRHIOPFSWWNZMW-LJQANCHMSA-N -1 0 390.480 2.745 50 0 GFAARM COc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc(C(=O)[O-])c1OC ZINC000045946788 571003006 /nfs/dbraw/zinc/00/30/06/571003006.db2.gz GVNBWNIEUOESSC-LLVKDONJSA-N -1 0 377.418 2.542 50 0 GFAARM COc1ccc(-c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c(F)c2)c(F)c1 ZINC000299745922 600152146 /nfs/dbraw/zinc/15/21/46/600152146.db2.gz UCHONCISJSVKOP-KRWDZBQOSA-N -1 0 377.343 2.566 50 0 GFAARM Cc1noc(C)c1CCC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000262700549 600486280 /nfs/dbraw/zinc/48/62/80/600486280.db2.gz CDRZKMLBOASCSK-SFHVURJKSA-N -1 0 399.447 2.942 50 0 GFAARM O=S(=O)([N-]C[C@](O)(c1ccccc1)C(F)(F)F)c1cc(F)ccc1F ZINC000070762674 654994596 /nfs/dbraw/zinc/99/45/96/654994596.db2.gz QRXBHFBLRDFXSY-AWEZNQCLSA-N -1 0 381.322 2.693 50 0 GFAARM CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)[O-])cc(Br)n2)CC1 ZINC000725347971 655525886 /nfs/dbraw/zinc/52/58/86/655525886.db2.gz WUZPBMUBRISULG-UHFFFAOYSA-N -1 0 386.246 2.599 50 0 GFAARM CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C)o2)sc1Br ZINC000888096917 663178105 /nfs/dbraw/zinc/17/81/05/663178105.db2.gz RZRRNXSLLSVVER-UHFFFAOYSA-N -1 0 395.256 2.785 50 0 GFAARM Cc1c2c(cc(=O)n1Cc1ccccn1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000015107309 210152080 /nfs/dbraw/zinc/15/20/80/210152080.db2.gz FTJCQCKIDJQELO-UHFFFAOYSA-N -1 0 389.440 2.842 50 0 GFAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc2c(c1)OCO2 ZINC000013961508 210096854 /nfs/dbraw/zinc/09/68/54/210096854.db2.gz IKPSDVICGRGORB-KBXCAEBGSA-N -1 0 389.429 2.791 50 0 GFAARM O=C([O-])C[C@H]1Sc2nnc([C@H]3CCCO3)n2N=C1c1ccc(Cl)cc1 ZINC000013182946 210053040 /nfs/dbraw/zinc/05/30/40/210053040.db2.gz LDLNZPMXUNJJTA-VXGBXAGGSA-N -1 0 378.841 2.984 50 0 GFAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 ZINC000013122426 210052130 /nfs/dbraw/zinc/05/21/30/210052130.db2.gz WKNLRMNROLNHDJ-HZPDHXFCSA-N -1 0 387.440 2.935 50 0 GFAARM CN(C)S(=O)(=O)c1cc(NC(=O)CC2(C(=O)[O-])CCCC2)ccc1Cl ZINC000013253184 210055331 /nfs/dbraw/zinc/05/53/31/210055331.db2.gz PYHWKWSLPDOUOC-UHFFFAOYSA-N -1 0 388.873 2.564 50 0 GFAARM COc1ccc(F)cc1CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013235104 210054704 /nfs/dbraw/zinc/05/47/04/210054704.db2.gz FTTGUALNWKVQKO-KRWDZBQOSA-N -1 0 385.395 2.811 50 0 GFAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2=NCCS2)ccc1F ZINC000012766666 210004997 /nfs/dbraw/zinc/00/49/97/210004997.db2.gz GTIQYJHYVRPPHA-UHFFFAOYSA-N -1 0 393.465 2.768 50 0 GFAARM COc1ccccc1N1C(=O)[N-]C(=O)C(=C2C[C@H](c3cccs3)NN2)C1=O ZINC000008995873 209809585 /nfs/dbraw/zinc/80/95/85/209809585.db2.gz YBSRHLWHGHTMAC-BXSDCGNMSA-N -1 0 384.417 2.673 50 0 GFAARM O=C([O-])CCN1C(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2C1=O ZINC000004826915 209531154 /nfs/dbraw/zinc/53/11/54/209531154.db2.gz NHIZKXWHZLKHNE-UHFFFAOYSA-N -1 0 386.791 2.592 50 0 GFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000002804923 209387665 /nfs/dbraw/zinc/38/76/65/209387665.db2.gz NSVJQGFSLSTQRU-UHFFFAOYSA-N -1 0 383.836 2.865 50 0 GFAARM CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])sc2c1 ZINC000002503180 209367514 /nfs/dbraw/zinc/36/75/14/209367514.db2.gz SUINWZINFPLMBA-QWRGUYRKSA-N -1 0 382.463 2.529 50 0 GFAARM CCOC(=O)[C@]1(C)C=C(Nc2ccc(C(=O)[O-])c(O)c2)C(=O)N1c1ccccc1 ZINC000002372802 209360294 /nfs/dbraw/zinc/36/02/94/209360294.db2.gz ZMADAYLPTXPYSD-NRFANRHFSA-N -1 0 396.399 2.755 50 0 GFAARM CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002148394 209348957 /nfs/dbraw/zinc/34/89/57/209348957.db2.gz VRYXPHQYBKGICT-INIZCTEOSA-N -1 0 375.421 2.740 50 0 GFAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002100664 209347075 /nfs/dbraw/zinc/34/70/75/209347075.db2.gz WONDFFZYEUQHTE-XIKOKIGWSA-N -1 0 375.421 2.738 50 0 GFAARM Cc1c(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc2c3c(c(=O)oc12)CCC3 ZINC000002091382 209346073 /nfs/dbraw/zinc/34/60/73/209346073.db2.gz USIWAVHDEVCCJS-INIZCTEOSA-N -1 0 387.432 2.584 50 0 GFAARM O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002091804 209345916 /nfs/dbraw/zinc/34/59/16/209345916.db2.gz CWXYOXOAQULLBF-FQEVSTJZSA-N -1 0 393.395 2.603 50 0 GFAARM O=C([O-])c1cccnc1SCCS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000001038719 209291379 /nfs/dbraw/zinc/29/13/79/209291379.db2.gz CLKCEUPBRHNMSC-UHFFFAOYSA-N -1 0 392.380 2.760 50 0 GFAARM COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1 ZINC000000993363 209286924 /nfs/dbraw/zinc/28/69/24/209286924.db2.gz XYYXILGFQAJHEK-UHFFFAOYSA-N -1 0 399.399 2.928 50 0 GFAARM CSCC[C@@H](NC(=O)Cc1c(C)[nH]nc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC000334160299 209177943 /nfs/dbraw/zinc/17/79/43/209177943.db2.gz AMRDJKIBUFTLAZ-CQSZACIVSA-N -1 0 381.885 2.904 50 0 GFAARM O=C([O-])c1ccc(I)c(I)c1F ZINC000098174811 209136169 /nfs/dbraw/zinc/13/61/69/209136169.db2.gz LAUGMFDHJCLPGT-UHFFFAOYSA-N -1 0 391.905 2.733 50 0 GFAARM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237650869 211474282 /nfs/dbraw/zinc/47/42/82/211474282.db2.gz JPQTYRAOLALIPA-UHFFFAOYSA-N -1 0 392.452 2.887 50 0 GFAARM COc1ccc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1OC ZINC000101260752 211396667 /nfs/dbraw/zinc/39/66/67/211396667.db2.gz HAAMMCZJCZLDNF-ROUUACIJSA-N -1 0 380.404 2.818 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4c(F)cccc4Cl)c=3c2=O)cc1 ZINC000101167086 211396305 /nfs/dbraw/zinc/39/63/05/211396305.db2.gz YCDYCTSTZLKMNI-JKSUJKDBSA-N -1 0 388.786 2.981 50 0 GFAARM CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000095427680 211239400 /nfs/dbraw/zinc/23/94/00/211239400.db2.gz QVIARYLLKPLANJ-CYBMUJFWSA-N -1 0 390.461 2.643 50 0 GFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)c1 ZINC000095388731 211236526 /nfs/dbraw/zinc/23/65/26/211236526.db2.gz PLFWHUJIMVSUKP-KRWDZBQOSA-N -1 0 378.432 2.926 50 0 GFAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@H](c1ccc[nH]c1=O)SCC(=O)N2 ZINC000095473694 211246849 /nfs/dbraw/zinc/24/68/49/211246849.db2.gz KRYYPSYICWWYND-INIZCTEOSA-N -1 0 396.428 2.991 50 0 GFAARM O=C([O-])CCN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000095469932 211245420 /nfs/dbraw/zinc/24/54/20/211245420.db2.gz QTZGZEQCSORUIG-UHFFFAOYSA-N -1 0 380.510 2.515 50 0 GFAARM CCc1c(C)nc(C)nc1N1C[C@@H]2c3ccc(OC)cc3OC[C@]2(C(=O)[O-])C1 ZINC000095358778 211224233 /nfs/dbraw/zinc/22/42/33/211224233.db2.gz BBROCYUSWQHWND-DYESRHJHSA-N -1 0 383.448 2.732 50 0 GFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccc4c(c3)ncn4CCO)C2)c1 ZINC000095363810 211226317 /nfs/dbraw/zinc/22/63/17/211226317.db2.gz HYSOJZQEEMNULC-SFHVURJKSA-N -1 0 393.443 2.747 50 0 GFAARM COc1cccc([C@@H]2CN(C(=O)c3cc(Cl)ccc3O)C[C@H]2C(=O)[O-])c1 ZINC000091621493 211199553 /nfs/dbraw/zinc/19/95/53/211199553.db2.gz PGABBFCMGFMGQM-JKSUJKDBSA-N -1 0 375.808 2.995 50 0 GFAARM Cn1cnc2cc(C(=O)N3CCC[C@H](Cc4ccc(C(=O)[O-])cc4)C3)cnc21 ZINC000072133721 211073047 /nfs/dbraw/zinc/07/30/47/211073047.db2.gz MALUOVINUXLIAF-OAHLLOKOSA-N -1 0 378.432 2.761 50 0 GFAARM O=C([O-])c1cc(-c2cccc(CO)c2)cc(S(=O)(=O)NC2CCCC2)c1 ZINC000071575729 211049630 /nfs/dbraw/zinc/04/96/30/211049630.db2.gz MXSTVNVHRWRCIM-UHFFFAOYSA-N -1 0 375.446 2.765 50 0 GFAARM O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)c1nccc3ccccc31)CC2 ZINC000067981690 211030231 /nfs/dbraw/zinc/03/02/31/211030231.db2.gz OJKHLKPMPXQLDG-UHFFFAOYSA-N -1 0 376.416 2.738 50 0 GFAARM O=C([O-])CN(C(=O)CCOc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000299750052 210835674 /nfs/dbraw/zinc/83/56/74/210835674.db2.gz MNUUYODEMPOMPS-UHFFFAOYSA-N -1 0 376.236 2.855 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000299748711 210829542 /nfs/dbraw/zinc/82/95/42/210829542.db2.gz HXQQINASEQHVOX-WBVHZDCISA-N -1 0 382.441 2.528 50 0 GFAARM Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3nc4[n-]cnc(=O)c4s3)C2)c1 ZINC000033141051 210629152 /nfs/dbraw/zinc/62/91/52/210629152.db2.gz VUGWFYZTIMRWMJ-CYBMUJFWSA-N -1 0 383.477 2.852 50 0 GFAARM O=S(=O)([N-]c1ccc(-n2cccn2)nc1)c1ccccc1OC(F)(F)F ZINC000026539521 210501006 /nfs/dbraw/zinc/50/10/06/210501006.db2.gz PROYJIPUCOFTJK-UHFFFAOYSA-N -1 0 384.339 2.967 50 0 GFAARM O=C([O-])C1(n2cnc3ccccc32)CCN(c2nccnc2N2CCCC2)CC1 ZINC000072407495 136169562 /nfs/dbraw/zinc/16/95/62/136169562.db2.gz BRIXOOMVHBGZEF-UHFFFAOYSA-N -1 0 392.463 2.507 50 0 GFAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)CCc2ccc(F)c(F)c2)C1 ZINC000426514627 534511288 /nfs/dbraw/zinc/51/12/88/534511288.db2.gz IFLNGUPZZNYPSV-CQSZACIVSA-N -1 0 377.391 2.585 50 0 GFAARM CCOC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000079103138 535698950 /nfs/dbraw/zinc/69/89/50/535698950.db2.gz NSRQKVDNMSAGPP-UHFFFAOYSA-N -1 0 395.458 2.765 50 0 GFAARM CSc1nnc(SCc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)s1 ZINC000003342508 551092667 /nfs/dbraw/zinc/09/26/67/551092667.db2.gz POWPXUKZIIURCK-UHFFFAOYSA-N -1 0 386.505 2.857 50 0 GFAARM O=C(NCCc1ccccc1)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000011693224 551107373 /nfs/dbraw/zinc/10/73/73/551107373.db2.gz ISMIQKQNVWPYBN-UHFFFAOYSA-N -1 0 393.515 2.978 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)NC1=NN(c2ccccc2)CC1 ZINC000018173620 551113206 /nfs/dbraw/zinc/11/32/06/551113206.db2.gz OERPECLHYVFOOW-UHFFFAOYSA-N -1 0 378.841 2.552 50 0 GFAARM Cc1nc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)nc(N(C)C)n1 ZINC000253428044 553151727 /nfs/dbraw/zinc/15/17/27/553151727.db2.gz GRUUIQBVPJYUPA-UHFFFAOYSA-N -1 0 393.416 2.659 50 0 GFAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000370720909 563253420 /nfs/dbraw/zinc/25/34/20/563253420.db2.gz CWLWYGVTUCGUMW-NSHDSACASA-N -1 0 379.766 2.656 50 0 GFAARM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000299747314 563390903 /nfs/dbraw/zinc/39/09/03/563390903.db2.gz CONPHDRJSLLPSL-SNVBAGLBSA-N -1 0 376.236 2.853 50 0 GFAARM O=C(NCC1(c2ccccc2)CCOCC1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000215843317 570292447 /nfs/dbraw/zinc/29/24/47/570292447.db2.gz QPTSHOBQFSJCQE-UHFFFAOYSA-N -1 0 377.444 2.644 50 0 GFAARM CC(C)C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)C(=O)[O-] ZINC000012945966 570316843 /nfs/dbraw/zinc/31/68/43/570316843.db2.gz CUYTVWABZLVLML-QGZVFWFLSA-N -1 0 379.416 2.615 50 0 GFAARM O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccc(F)cc1 ZINC000006237769 570347464 /nfs/dbraw/zinc/34/74/64/570347464.db2.gz DVMNTRQQCSWHIH-MRXNPFEDSA-N -1 0 396.447 2.590 50 0 GFAARM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000237765993 570395424 /nfs/dbraw/zinc/39/54/24/570395424.db2.gz DOFNWMMRFBYXGI-KRWDZBQOSA-N -1 0 376.416 2.789 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000123761365 570418851 /nfs/dbraw/zinc/41/88/51/570418851.db2.gz HLUUQBKJUOVPKI-NEPJUHHUSA-N -1 0 386.376 2.501 50 0 GFAARM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc(Cl)c1O ZINC000005008694 570423464 /nfs/dbraw/zinc/42/34/64/570423464.db2.gz OIAHKHLINHADBI-OAHLLOKOSA-N -1 0 398.843 2.650 50 0 GFAARM O=C([O-])[C@H]1CC[C@H](C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)CC1 ZINC000262695907 570444236 /nfs/dbraw/zinc/44/42/36/570444236.db2.gz GEPKJOXNRYEMDL-HUBLWGQQSA-N -1 0 380.441 2.557 50 0 GFAARM COc1ccc(OC)c(C[C@H](C(=O)Nc2cc(C)ccc2C)c2nnn[n-]2)c1 ZINC000027829148 570444361 /nfs/dbraw/zinc/44/43/61/570444361.db2.gz RQFAPGPRQNLSHX-INIZCTEOSA-N -1 0 381.436 2.799 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCC2)c1C ZINC000237896745 570462901 /nfs/dbraw/zinc/46/29/01/570462901.db2.gz KGZMIRNDEBVBDA-INIZCTEOSA-N -1 0 392.477 2.710 50 0 GFAARM CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000006720895 570490393 /nfs/dbraw/zinc/49/03/93/570490393.db2.gz PUEZCDCHOQFGGZ-UHFFFAOYSA-N -1 0 398.396 2.634 50 0 GFAARM CC(C)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000002970816 570523532 /nfs/dbraw/zinc/52/35/32/570523532.db2.gz VWFLOGYEFUBSPP-CQSZACIVSA-N -1 0 375.494 2.640 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ncn1 ZINC000000945489 570534174 /nfs/dbraw/zinc/53/41/74/570534174.db2.gz KDUZVMMLMWUVLT-UHFFFAOYSA-N -1 0 398.444 2.847 50 0 GFAARM Cc1cc(CC(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c(C)s1 ZINC000072310897 570537342 /nfs/dbraw/zinc/53/73/42/570537342.db2.gz MYMZTSFWYGDZBG-UHFFFAOYSA-N -1 0 383.882 2.714 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1F ZINC000005329650 570554704 /nfs/dbraw/zinc/55/47/04/570554704.db2.gz LSXPKZZQYJMSJC-UHFFFAOYSA-N -1 0 394.424 2.771 50 0 GFAARM COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000064837092 570559607 /nfs/dbraw/zinc/55/96/07/570559607.db2.gz VHIMRZBHGPVCNM-UHFFFAOYSA-N -1 0 385.445 2.863 50 0 GFAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CCCCCC1 ZINC000064843318 570563187 /nfs/dbraw/zinc/56/31/87/570563187.db2.gz ISNQAPJXSMYWMI-UHFFFAOYSA-N -1 0 375.450 2.961 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(OC)c1 ZINC000006779145 570585839 /nfs/dbraw/zinc/58/58/39/570585839.db2.gz AMIUMMMKJWSZNE-JTQLQIEISA-N -1 0 394.474 2.937 50 0 GFAARM COc1ccc(CC(=O)NCc2n[n-]c(=S)n2-c2ccccc2OC)cc1 ZINC000013524429 570640803 /nfs/dbraw/zinc/64/08/03/570640803.db2.gz GIDMTMQMDFIZLX-UHFFFAOYSA-N -1 0 384.461 2.806 50 0 GFAARM O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1cccs1 ZINC000006864860 570654101 /nfs/dbraw/zinc/65/41/01/570654101.db2.gz RHSCBLHUFBJOAZ-AWEZNQCLSA-N -1 0 384.486 2.513 50 0 GFAARM O=C([N-]O[C@H]1CCCCO1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000058420823 570732667 /nfs/dbraw/zinc/73/26/67/570732667.db2.gz QVZIFOXPEJUHCR-BBRMVZONSA-N -1 0 386.370 2.628 50 0 GFAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000000945244 570734192 /nfs/dbraw/zinc/73/41/92/570734192.db2.gz AQQSKAPNJWFLNT-KBXCAEBGSA-N -1 0 395.411 2.681 50 0 GFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccn3c2nnc3C2CCC2)c1 ZINC000065228813 570739905 /nfs/dbraw/zinc/73/99/05/570739905.db2.gz MMUVWUCJXVXMKK-UHFFFAOYSA-N -1 0 388.449 2.815 50 0 GFAARM COc1ccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)[n-]c2=O)cc1 ZINC000032778613 570811748 /nfs/dbraw/zinc/81/17/48/570811748.db2.gz RQQHYKDIQIXJSE-UHFFFAOYSA-N -1 0 398.444 2.992 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000299746320 570824234 /nfs/dbraw/zinc/82/42/34/570824234.db2.gz WQLUFNBCRYNJQC-INIZCTEOSA-N -1 0 395.440 2.638 50 0 GFAARM O=C([O-])[C@H](CNC(=O)c1cc(-c2ccccc2F)on1)Oc1ccc(F)cc1 ZINC000170592159 570851399 /nfs/dbraw/zinc/85/13/99/570851399.db2.gz SEWROIPSKKYCAX-KRWDZBQOSA-N -1 0 388.326 2.882 50 0 GFAARM CSc1nc(=O)c([C@@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c([O-])n1C ZINC000102707385 570857711 /nfs/dbraw/zinc/85/77/11/570857711.db2.gz MGZIZKHUNYFCNQ-AWEZNQCLSA-N -1 0 376.869 2.578 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000102818934 570865338 /nfs/dbraw/zinc/86/53/38/570865338.db2.gz CIRAHGWUCDKOPO-JKSUJKDBSA-N -1 0 386.795 2.855 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(Cl)c4)c=3c2=O)c1 ZINC000102819726 570865875 /nfs/dbraw/zinc/86/58/75/570865875.db2.gz MGUJVDAUKDCIKE-HZPDHXFCSA-N -1 0 386.795 2.855 50 0 GFAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2cc(C)on2)cc1)C(=O)[O-] ZINC000013579248 570898777 /nfs/dbraw/zinc/89/87/77/570898777.db2.gz APPQCNDCZAVFPX-YFHOEESVSA-N -1 0 375.406 2.683 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)N3CCCCCC3)cs2)cc1 ZINC000012628167 570928256 /nfs/dbraw/zinc/92/82/56/570928256.db2.gz BCFOBNCMVMQTFA-UHFFFAOYSA-N -1 0 395.506 2.969 50 0 GFAARM COc1cc2oc(=O)c(CC(=O)N3CCC(C(=O)[O-])CC3)c(C)c2cc1Cl ZINC000002119751 570953812 /nfs/dbraw/zinc/95/38/12/570953812.db2.gz QBYAIALSTDKNHC-UHFFFAOYSA-N -1 0 393.823 2.629 50 0 GFAARM Cc1cc(COc2ccccc2)oc1C(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000095517936 571085204 /nfs/dbraw/zinc/08/52/04/571085204.db2.gz LSDUWIXMTWBCDH-QGZVFWFLSA-N -1 0 381.388 2.542 50 0 GFAARM CC(C)Cn1nc(C(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc2c1=O ZINC000008392066 597148780 /nfs/dbraw/zinc/14/87/80/597148780.db2.gz PVYKVLVSUYELEJ-UHFFFAOYSA-N -1 0 379.416 2.681 50 0 GFAARM C[C@H](CN(Cc1ccccc1)C(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)[O-] ZINC000299749113 600398740 /nfs/dbraw/zinc/39/87/40/600398740.db2.gz JGUZZIKTZFYZFV-CQSZACIVSA-N -1 0 399.422 2.718 50 0 GFAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)CCc2nccs2)c1 ZINC000262439757 600484872 /nfs/dbraw/zinc/48/48/72/600484872.db2.gz NCOPDLJOPXUEKW-HNNXBMFYSA-N -1 0 387.461 2.794 50 0 GFAARM Cn1nc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)cc1C1CC1 ZINC000630140090 601011705 /nfs/dbraw/zinc/01/17/05/601011705.db2.gz KPNFKVRCAWENQD-KRWDZBQOSA-N -1 0 396.447 2.629 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c1C ZINC000010515585 601319365 /nfs/dbraw/zinc/31/93/65/601319365.db2.gz TYDMKRGTFRWRAM-UHFFFAOYSA-N -1 0 376.434 2.504 50 0 GFAARM COc1ccc(-c2n[n-]c(NCCc3ccc(OC)c(OC)c3)nc2=O)cc1 ZINC000016048501 210183748 /nfs/dbraw/zinc/18/37/48/210183748.db2.gz TYCUGCAPLOIRND-UHFFFAOYSA-N -1 0 382.420 2.512 50 0 GFAARM COc1cccc(-n2cc(C(=O)c3cc(OC)ccc3[O-])cc(C(C)=O)c2=O)c1 ZINC000014180721 210107483 /nfs/dbraw/zinc/10/74/83/210107483.db2.gz TUJWLDVJNDOOHX-UHFFFAOYSA-N -1 0 393.395 2.994 50 0 GFAARM CCOc1ccc(S(=O)(=O)n2cc(C(=O)c3cc(F)ccc3[O-])cn2)cc1 ZINC000014157774 210105631 /nfs/dbraw/zinc/10/56/31/210105631.db2.gz FPZOQBQRQHOEKV-UHFFFAOYSA-N -1 0 390.392 2.595 50 0 GFAARM CCc1ccc([C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])cs2)N(C)C)cc1 ZINC000013309920 210057467 /nfs/dbraw/zinc/05/74/67/210057467.db2.gz LXAYWFJXOAZETI-OAHLLOKOSA-N -1 0 382.507 2.590 50 0 GFAARM COc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCOCC1 ZINC000013041706 210049450 /nfs/dbraw/zinc/04/94/50/210049450.db2.gz XELIJTDTUDCRPT-UHFFFAOYSA-N -1 0 382.869 2.986 50 0 GFAARM COc1cc(CNC(=O)CSc2ccccc2C(=O)[O-])cc(OC)c1OC ZINC000012978364 210038230 /nfs/dbraw/zinc/03/82/30/210038230.db2.gz NDFSXGPSXMSZHK-UHFFFAOYSA-N -1 0 391.445 2.819 50 0 GFAARM COc1ccc(-c2nn(-c3ccccc3)cc2CNC(=O)/C=C\C(=O)[O-])cc1 ZINC000006009118 209625607 /nfs/dbraw/zinc/62/56/07/209625607.db2.gz WJXXOGVWGFPWFH-QXMHVHEDSA-N -1 0 377.400 2.805 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCCC(=O)[O-] ZINC000005324873 209586610 /nfs/dbraw/zinc/58/66/10/209586610.db2.gz IQUWPODREXZPKM-DIFFPNOSSA-N -1 0 393.871 2.567 50 0 GFAARM COC(=O)c1ccsc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000005016595 209560081 /nfs/dbraw/zinc/56/00/81/209560081.db2.gz WMAAEQAZPQEDAX-GFCCVEGCSA-N -1 0 391.426 2.657 50 0 GFAARM NC(=O)SC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583238 209369608 /nfs/dbraw/zinc/36/96/08/209369608.db2.gz IFPYYXWHARILPJ-INIZCTEOSA-N -1 0 386.429 2.790 50 0 GFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000000898248 209278197 /nfs/dbraw/zinc/27/81/97/209278197.db2.gz JIDDEKAGGBQWCI-UHFFFAOYSA-N -1 0 386.408 2.977 50 0 GFAARM COC(=O)c1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)[C@@H](C)C3 ZINC000299738234 209226570 /nfs/dbraw/zinc/22/65/70/209226570.db2.gz LPXNXUGLAJTIJT-NSHDSACASA-N -1 0 378.384 2.863 50 0 GFAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008694579 212075782 /nfs/dbraw/zinc/07/57/82/212075782.db2.gz YXXRVSYQDSBZML-XMSQKQJNSA-N -1 0 375.428 2.871 50 0 GFAARM COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000334160687 209178022 /nfs/dbraw/zinc/17/80/22/209178022.db2.gz JWCLYVRLQHFHLI-HXUWFJFHSA-N -1 0 379.416 2.878 50 0 GFAARM COc1cc(/C=C/C(=O)N(CC(=O)[O-])C2CCOCC2)ccc1OC(C)C ZINC000328595075 209145212 /nfs/dbraw/zinc/14/52/12/209145212.db2.gz JZTUSUPCARFAAC-FNORWQNLSA-N -1 0 377.437 2.588 50 0 GFAARM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000170596631 211657481 /nfs/dbraw/zinc/65/74/81/211657481.db2.gz LTLWTWLDYKGEQE-HNNXBMFYSA-N -1 0 383.370 2.907 50 0 GFAARM Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(N)=O ZINC000002739740 211518653 /nfs/dbraw/zinc/51/86/53/211518653.db2.gz LRKPYDZVBOBEDJ-QWRGUYRKSA-N -1 0 396.465 2.550 50 0 GFAARM O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)[N-]S(=O)(=O)c1ccccc1F ZINC000098054970 211378025 /nfs/dbraw/zinc/37/80/25/211378025.db2.gz XCLYOKUVDWSKGQ-WAYWQWQTSA-N -1 0 397.811 2.769 50 0 GFAARM COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(O)=C23)c1 ZINC000101293089 211397098 /nfs/dbraw/zinc/39/70/98/211397098.db2.gz PBIXOEQMIFQLHH-WBVHZDCISA-N -1 0 386.791 2.650 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1 ZINC000101260804 211395815 /nfs/dbraw/zinc/39/58/15/211395815.db2.gz WDQZGRMUVKQWMB-ROUUACIJSA-N -1 0 380.404 2.818 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000096361138 211335952 /nfs/dbraw/zinc/33/59/52/211335952.db2.gz KGOCNQWAYVIFIO-UHFFFAOYSA-N -1 0 386.433 2.780 50 0 GFAARM O=C(Nc1ccc2c(c1)CCC2)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000096361046 211335668 /nfs/dbraw/zinc/33/56/68/211335668.db2.gz CLSKXFYDQUVJGT-UHFFFAOYSA-N -1 0 382.445 2.952 50 0 GFAARM CC(C)(C)C(=O)NCCC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000095425465 211238222 /nfs/dbraw/zinc/23/82/22/211238222.db2.gz JQPSQPIZZKBZJI-GOSISDBHSA-N -1 0 384.476 2.752 50 0 GFAARM Cc1ccc(C(=O)N2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)cc1C ZINC000072474429 211122429 /nfs/dbraw/zinc/12/24/29/211122429.db2.gz SDMLWXALLOHPAU-GOSISDBHSA-N -1 0 384.476 2.621 50 0 GFAARM Cc1nc(NC(=O)c2cccc(NC(=O)c3nccnc3C(=O)[O-])c2)sc1C ZINC000072400659 211112774 /nfs/dbraw/zinc/11/27/74/211112774.db2.gz XZXNMWAHOTUFOM-UHFFFAOYSA-N -1 0 397.416 2.753 50 0 GFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cnc3ccccc3c2)c1 ZINC000072162874 211080723 /nfs/dbraw/zinc/08/07/23/211080723.db2.gz MBVPMKFTAYCQDU-UHFFFAOYSA-N -1 0 386.429 2.525 50 0 GFAARM O=C([O-])c1cc(-c2cccc3cccnc32)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000072167056 211080294 /nfs/dbraw/zinc/08/02/94/211080294.db2.gz AUCKJARHOVUQJI-UHFFFAOYSA-N -1 0 398.440 2.621 50 0 GFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(-c2nnc(-c3cccnc3)[nH]2)cc1 ZINC000071284316 211044125 /nfs/dbraw/zinc/04/41/25/211044125.db2.gz LIKCKADIHDKXNY-HUUCEWRRSA-N -1 0 377.404 2.829 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(-c2nnc(-c3cccnc3)[nH]2)cc1 ZINC000071284318 211043514 /nfs/dbraw/zinc/04/35/14/211043514.db2.gz LIKCKADIHDKXNY-CABCVRRESA-N -1 0 377.404 2.829 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1C[C@H]1c1ccccc1F ZINC000069574007 211037949 /nfs/dbraw/zinc/03/79/49/211037949.db2.gz XKXXUWNIVBDHOF-GJZGRUSLSA-N -1 0 391.420 2.596 50 0 GFAARM O=C([O-])c1cn(C[C@@H]2CCCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)nn1 ZINC000067473286 211010038 /nfs/dbraw/zinc/01/00/38/211010038.db2.gz BZTYSGGGTUZUMS-CQSZACIVSA-N -1 0 379.420 2.524 50 0 GFAARM COCC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000021883102 210399439 /nfs/dbraw/zinc/39/94/39/210399439.db2.gz DWVLVMYWBKUBEG-UHFFFAOYSA-N -1 0 377.447 2.682 50 0 GFAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C)n3)cs2)cc1 ZINC000021701888 210389885 /nfs/dbraw/zinc/38/98/85/210389885.db2.gz NIKGXXDDVNQVEH-UHFFFAOYSA-N -1 0 378.435 2.866 50 0 GFAARM Cc1cc(=O)n2nc(CN(C(=O)c3ccc(F)cc3)c3ccccc3)[n-]c2n1 ZINC000021796045 210393571 /nfs/dbraw/zinc/39/35/71/210393571.db2.gz INIKKGDEYYCORQ-UHFFFAOYSA-N -1 0 377.379 2.712 50 0 GFAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000020574817 210347840 /nfs/dbraw/zinc/34/78/40/210347840.db2.gz ATODDBUEPLKBCK-UHFFFAOYSA-N -1 0 382.438 2.626 50 0 GFAARM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000408513315 533246237 /nfs/dbraw/zinc/24/62/37/533246237.db2.gz PWPHSPGTWBSSDQ-MRXNPFEDSA-N -1 0 375.465 2.988 50 0 GFAARM O=C([O-])c1cccc(N2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)n1 ZINC000095361555 136178016 /nfs/dbraw/zinc/17/80/16/136178016.db2.gz DXWNXAKDRACVHF-UHFFFAOYSA-N -1 0 394.475 2.627 50 0 GFAARM Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)o1 ZINC000002720260 136193416 /nfs/dbraw/zinc/19/34/16/136193416.db2.gz IHXCOJBHGZILBW-UHFFFAOYSA-N -1 0 398.444 2.772 50 0 GFAARM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000072059957 222203965 /nfs/dbraw/zinc/20/39/65/222203965.db2.gz XYKPFIQBXBGFNG-GJZGRUSLSA-N -1 0 397.269 2.628 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000268950731 526290010 /nfs/dbraw/zinc/29/00/10/526290010.db2.gz SQBGNDLRKANEHL-PEYYIBSZSA-N -1 0 391.855 2.728 50 0 GFAARM CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC(=O)[O-])cc1 ZINC000027551412 526762415 /nfs/dbraw/zinc/76/24/15/526762415.db2.gz XTTMUFBNNOFHHJ-LGMDPLHJSA-N -1 0 384.432 2.939 50 0 GFAARM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cn3)cc21 ZINC000032943675 551132506 /nfs/dbraw/zinc/13/25/06/551132506.db2.gz BWNVIYCMXKXLMA-UHFFFAOYSA-N -1 0 383.882 2.994 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc1C ZINC000064976624 551185387 /nfs/dbraw/zinc/18/53/87/551185387.db2.gz CTQKUMYGWNVZPX-UHFFFAOYSA-N -1 0 379.869 2.948 50 0 GFAARM Cc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])cnn1-c1ccc(Br)cc1 ZINC000237749103 553081128 /nfs/dbraw/zinc/08/11/28/553081128.db2.gz PEQDZBKWBBYYBS-CQSZACIVSA-N -1 0 378.226 2.632 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000236586885 570245382 /nfs/dbraw/zinc/24/53/82/570245382.db2.gz SGPVXEUUHMPDTF-RTWAWAEBSA-N -1 0 392.455 2.561 50 0 GFAARM Cc1cc2ncc(C(=O)N3CCCC[C@H]3CCc3cccc(O)c3)c(=O)n2[n-]1 ZINC000102815617 570256463 /nfs/dbraw/zinc/25/64/63/570256463.db2.gz HPSVDUOWFVKLSY-INIZCTEOSA-N -1 0 380.448 2.664 50 0 GFAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000016094780 570315813 /nfs/dbraw/zinc/31/58/13/570315813.db2.gz NKTCLQKMZFNRIA-UHFFFAOYSA-N -1 0 389.429 2.549 50 0 GFAARM COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205948729 570327570 /nfs/dbraw/zinc/32/75/70/570327570.db2.gz BCJPQQHPGQQEQM-MRXNPFEDSA-N -1 0 382.416 2.882 50 0 GFAARM COc1ccc(-c2nnc(CCC(=O)N3CCc4ccccc4C3)c(=O)[n-]2)cc1 ZINC000034762734 570333056 /nfs/dbraw/zinc/33/30/56/570333056.db2.gz RCAAEBZCAKHLJM-UHFFFAOYSA-N -1 0 390.443 2.770 50 0 GFAARM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000003991873 570353777 /nfs/dbraw/zinc/35/37/77/570353777.db2.gz QMZQXJFEYSUTKR-UHFFFAOYSA-N -1 0 398.506 2.527 50 0 GFAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(COc2ccccc2)o1 ZINC000008132165 570358890 /nfs/dbraw/zinc/35/88/90/570358890.db2.gz QMAXQTJQHZYYGX-UHFFFAOYSA-N -1 0 383.404 2.758 50 0 GFAARM Cn1cc(Br)c(-c2cccc(NC(=O)CSCC(=O)[O-])c2)n1 ZINC000004324709 570368319 /nfs/dbraw/zinc/36/83/19/570368319.db2.gz PDZGDYDDNIVYRP-UHFFFAOYSA-N -1 0 384.255 2.606 50 0 GFAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)[C@H](C(=O)[O-])C1 ZINC000004949766 570379816 /nfs/dbraw/zinc/37/98/16/570379816.db2.gz IADYTLQDIZSGQB-QZTJIDSGSA-N -1 0 386.448 2.545 50 0 GFAARM Cc1cc(C)n(Cc2cccc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)c2)n1 ZINC000237665732 570388989 /nfs/dbraw/zinc/38/89/89/570388989.db2.gz JCMJQKCQKNOPOS-IBGZPJMESA-N -1 0 385.464 2.644 50 0 GFAARM Cc1cc(=O)c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)nn1-c1ccccc1F ZINC000237834547 570403966 /nfs/dbraw/zinc/40/39/66/570403966.db2.gz VMACGRPJWUFOTK-QRTARXTBSA-N -1 0 399.422 2.538 50 0 GFAARM C[S@](=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004899537 570416375 /nfs/dbraw/zinc/41/63/75/570416375.db2.gz CEHRSUBRZOGRSW-XRHLQHRESA-N -1 0 387.457 2.747 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCc1nc(-c2ccsc2)no1 ZINC000238027782 570420851 /nfs/dbraw/zinc/42/08/51/570420851.db2.gz NXYMNPMZMWOGSA-OAHLLOKOSA-N -1 0 383.429 2.769 50 0 GFAARM O=C([O-])CCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)C1CCOCC1 ZINC000238080210 570422929 /nfs/dbraw/zinc/42/29/29/570422929.db2.gz KGTRXWLBEPKCNF-UHFFFAOYSA-N -1 0 377.828 2.622 50 0 GFAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)c1 ZINC000026541291 570426677 /nfs/dbraw/zinc/42/66/77/570426677.db2.gz LGCUSNTXASNKQN-UHFFFAOYSA-N -1 0 398.444 2.937 50 0 GFAARM O=C(NCc1cc(Br)cs1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000053968916 570436212 /nfs/dbraw/zinc/43/62/12/570436212.db2.gz DZWHFMNPOSPZCK-UHFFFAOYSA-N -1 0 396.291 2.966 50 0 GFAARM C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)C1=O ZINC000268889916 570440684 /nfs/dbraw/zinc/44/06/84/570440684.db2.gz IXSNPVPWPQDZIH-RDJZCZTQSA-N -1 0 396.443 2.913 50 0 GFAARM O=C([O-])[C@H]1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)CC1 ZINC000262695909 570444413 /nfs/dbraw/zinc/44/44/13/570444413.db2.gz GEPKJOXNRYEMDL-LALPHHSUSA-N -1 0 380.441 2.557 50 0 GFAARM O=C([O-])CCNC(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000006662327 570486606 /nfs/dbraw/zinc/48/66/06/570486606.db2.gz LLSBRGCUVHBJQW-UHFFFAOYSA-N -1 0 394.431 2.673 50 0 GFAARM COC(=O)c1cc(Br)ccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000008746197 570540547 /nfs/dbraw/zinc/54/05/47/570540547.db2.gz WDEQEFKZFFXDOM-GHMZBOCLSA-N -1 0 382.210 2.841 50 0 GFAARM C[C@H](C(=O)[O-])C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000034927254 570548251 /nfs/dbraw/zinc/54/82/51/570548251.db2.gz KRPGETIDKNWVIE-QMMMGPOBSA-N -1 0 382.301 2.632 50 0 GFAARM C[C@@H]1CCc2sc3c(c2C1)c(=O)n(CC(=O)[O-])c(=O)n3CCc1ccccc1 ZINC000006760148 570574715 /nfs/dbraw/zinc/57/47/15/570574715.db2.gz RLGGEMMZBAHYSR-CYBMUJFWSA-N -1 0 398.484 2.677 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1OC ZINC000006770707 570580784 /nfs/dbraw/zinc/58/07/84/570580784.db2.gz JXQMVERQSGIIMI-MSOLQXFVSA-N -1 0 380.404 2.506 50 0 GFAARM COC(=O)c1ccc(O)c(NC(=O)[C@H](c2ccccc2)N2CCSCC2)c1 ZINC000225737462 570611264 /nfs/dbraw/zinc/61/12/64/570611264.db2.gz OJKFHACFVBPXJE-SFHVURJKSA-N -1 0 386.473 2.907 50 0 GFAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C)c(N(C)C)c1 ZINC000006887513 570682213 /nfs/dbraw/zinc/68/22/13/570682213.db2.gz IGEABMWWMYTCAG-UHFFFAOYSA-N -1 0 379.482 2.983 50 0 GFAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000012630414 570692969 /nfs/dbraw/zinc/69/29/69/570692969.db2.gz RVTOJSPAPXQARX-UHFFFAOYSA-N -1 0 377.418 2.677 50 0 GFAARM Cn1nc(-c2csc(S(=O)(=O)Nc3ccccc3Cl)c2)ccc1=O ZINC000065128960 570704615 /nfs/dbraw/zinc/70/46/15/570704615.db2.gz YEGBJXDDNXELJA-UHFFFAOYSA-N -1 0 381.866 2.963 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000000904080 570711661 /nfs/dbraw/zinc/71/16/61/570711661.db2.gz BYSQXYQCIQKQSU-CQSZACIVSA-N -1 0 381.475 2.816 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1-c1nnc(C)o1 ZINC000065194144 570725833 /nfs/dbraw/zinc/72/58/33/570725833.db2.gz KNRHTCXDMUPNER-UHFFFAOYSA-N -1 0 376.438 2.810 50 0 GFAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)Nc2cc(OC)ccc2OC)C1=O ZINC000101043671 570787785 /nfs/dbraw/zinc/78/77/85/570787785.db2.gz DQFNTQMEJKZOEU-DTQAZKPQSA-N -1 0 375.425 2.658 50 0 GFAARM CCCCC(=O)Nc1ccc(N2CCN(C(=O)OCC)CC2)c(C(=O)[O-])c1 ZINC000033078527 570804972 /nfs/dbraw/zinc/80/49/72/570804972.db2.gz YVXAWWPMDZEALX-UHFFFAOYSA-N -1 0 377.441 2.792 50 0 GFAARM CCOC(=O)c1cn[n-]c1S(=O)(=O)Oc1ccc(Cl)c2cccnc12 ZINC000012506515 570822313 /nfs/dbraw/zinc/82/23/13/570822313.db2.gz JJXPVJWOVXCUDN-UHFFFAOYSA-N -1 0 381.797 2.556 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000101416293 570822408 /nfs/dbraw/zinc/82/24/08/570822408.db2.gz MWPJGZIMRRIFHU-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1OC ZINC000101418184 570822682 /nfs/dbraw/zinc/82/26/82/570822682.db2.gz NFPGZLIEMWNEFW-QZTJIDSGSA-N -1 0 380.404 2.506 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000004689758 570834856 /nfs/dbraw/zinc/83/48/56/570834856.db2.gz UVQIPZNXTNPIJW-INIZCTEOSA-N -1 0 396.852 2.793 50 0 GFAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000007486131 570850433 /nfs/dbraw/zinc/85/04/33/570850433.db2.gz WVDXZTFEAJZWKW-UHFFFAOYSA-N -1 0 375.450 2.963 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)cc1OC ZINC000102818929 570865441 /nfs/dbraw/zinc/86/54/41/570865441.db2.gz CIRAHGWUCDKOPO-HOTGVXAUSA-N -1 0 386.795 2.855 50 0 GFAARM Cc1nc(-c2ncccn2)sc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000178049444 570885152 /nfs/dbraw/zinc/88/51/52/570885152.db2.gz ACGFVUKTXPFMGB-CQSZACIVSA-N -1 0 380.429 2.560 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000170638301 570939600 /nfs/dbraw/zinc/93/96/00/570939600.db2.gz SNQODTZDJFBIFN-CHWSQXEVSA-N -1 0 386.351 2.589 50 0 GFAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 ZINC000002139833 570963138 /nfs/dbraw/zinc/96/31/38/570963138.db2.gz ULFMGLSCYHXDAN-SFHVURJKSA-N -1 0 382.416 2.802 50 0 GFAARM O=C(Nc1nnc(CCS(=O)(=O)[O-])s1)Nc1cccc(C(F)(F)F)c1 ZINC000004785815 570989752 /nfs/dbraw/zinc/98/97/52/570989752.db2.gz OBYXHBSKPINRER-UHFFFAOYSA-N -1 0 396.372 2.631 50 0 GFAARM Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)c(C)c1 ZINC000010657354 570993392 /nfs/dbraw/zinc/99/33/92/570993392.db2.gz XHJZUUAJERATSO-UHFFFAOYSA-N -1 0 377.418 2.964 50 0 GFAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1)n(C)c(=O)n2C ZINC000045960857 571005948 /nfs/dbraw/zinc/00/59/48/571005948.db2.gz IZKRUEJXGMXHIK-UHFFFAOYSA-N -1 0 389.477 2.810 50 0 GFAARM Cc1cccc(C[C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)C(=O)[O-])c1 ZINC000299753290 600071023 /nfs/dbraw/zinc/07/10/23/600071023.db2.gz XQFZWGIHKRTQHY-HNNXBMFYSA-N -1 0 384.457 2.713 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1Cl ZINC000232752943 601832285 /nfs/dbraw/zinc/83/22/85/601832285.db2.gz HXDDXYCWPGNZNB-OAHLLOKOSA-N -1 0 398.868 2.747 50 0 GFAARM CO[C@H](CS(=O)(=O)[N-]c1nc(-c2cccnc2Cl)ns1)C(C)C ZINC000888094362 663178129 /nfs/dbraw/zinc/17/81/29/663178129.db2.gz LNJQMCVWRBEBSI-SNVBAGLBSA-N -1 0 376.891 2.666 50 0 GFAARM O=S(=O)([N-]c1cc(-c2cccnc2)[nH]n1)c1cnn(Cc2ccccc2)c1 ZINC000151434748 231026740 /nfs/dbraw/zinc/02/67/40/231026740.db2.gz HZJQAFKIKNDVFV-UHFFFAOYSA-N -1 0 380.433 2.517 50 0 GFAARM CC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000017968880 210212093 /nfs/dbraw/zinc/21/20/93/210212093.db2.gz FDNWFVRBCSOHLB-WMZOPIPTSA-N -1 0 381.819 2.972 50 0 GFAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)NC2CCCCC2)cc1 ZINC000017080008 210203152 /nfs/dbraw/zinc/20/31/52/210203152.db2.gz KBQWXHPJBFPCDH-UHFFFAOYSA-N -1 0 391.522 2.897 50 0 GFAARM CCn1nc([N-]S(=O)(=O)c2cccc3nonc32)c2cc3ccccc3nc21 ZINC000016956843 210200119 /nfs/dbraw/zinc/20/01/19/210200119.db2.gz VCNAYBRKVKHTLN-UHFFFAOYSA-N -1 0 394.416 2.941 50 0 GFAARM COc1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2)cc1 ZINC000016973596 210199816 /nfs/dbraw/zinc/19/98/16/210199816.db2.gz ZGDRNQKSMWKNHO-OTZFSBHDSA-N -1 0 392.415 2.607 50 0 GFAARM COc1ccc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)[O-])cc1 ZINC000016676235 210193016 /nfs/dbraw/zinc/19/30/16/210193016.db2.gz KPAQYWSZGOPYON-DHDCSXOGSA-N -1 0 387.388 2.577 50 0 GFAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000016578620 210190895 /nfs/dbraw/zinc/19/08/95/210190895.db2.gz FJJZIPMOOZDKOX-UHFFFAOYSA-N -1 0 381.457 2.954 50 0 GFAARM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1 ZINC000015272679 210154708 /nfs/dbraw/zinc/15/47/08/210154708.db2.gz UUEFXDWLIMQHLH-UHFFFAOYSA-N -1 0 398.868 2.526 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)NN=c2[nH]cc(C(F)(F)F)cc2Cl)cc1 ZINC000014250511 210114091 /nfs/dbraw/zinc/11/40/91/210114091.db2.gz PUPBECKPZOZDHF-UHFFFAOYSA-N -1 0 395.746 2.757 50 0 GFAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc2c(c1)OCO2 ZINC000013961509 210097707 /nfs/dbraw/zinc/09/77/07/210097707.db2.gz IKPSDVICGRGORB-KSSFIOAISA-N -1 0 389.429 2.791 50 0 GFAARM O=C([O-])/C=C/C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000013624863 210072465 /nfs/dbraw/zinc/07/24/65/210072465.db2.gz VDVUGOMPHNCACZ-SQUSKLHYSA-N -1 0 395.802 2.765 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000013427493 210062025 /nfs/dbraw/zinc/06/20/25/210062025.db2.gz YYARFUCSCIIGCU-GOSISDBHSA-N -1 0 382.416 2.550 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000013427363 210060609 /nfs/dbraw/zinc/06/06/09/210060609.db2.gz NDHGKNCDUVZCCV-SFHVURJKSA-N -1 0 382.416 2.768 50 0 GFAARM Cc1ccccc1-c1noc(CNC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000013240537 210054956 /nfs/dbraw/zinc/05/49/56/210054956.db2.gz PEFYIDQAUVRSNB-MRXNPFEDSA-N -1 0 380.404 2.540 50 0 GFAARM CCOc1cc(C(=O)N2CCC(C(=O)[O-])CC2)cc(Br)c1OC ZINC000013167295 210054220 /nfs/dbraw/zinc/05/42/20/210054220.db2.gz VXYCKPQBRALZEL-UHFFFAOYSA-N -1 0 386.242 2.793 50 0 GFAARM CCN(CC(=O)Nc1c(F)cccc1F)Cc1nc(=O)c2sccc2[n-]1 ZINC000012881512 210022678 /nfs/dbraw/zinc/02/26/78/210022678.db2.gz AQXDIGATDJUYSG-UHFFFAOYSA-N -1 0 378.404 2.723 50 0 GFAARM CCCCN1C(C(=O)Nc2cc(C)on2)=C([O-])c2ccccc2S1(=O)=O ZINC000012477767 209961963 /nfs/dbraw/zinc/96/19/63/209961963.db2.gz VUOBJVJMKKNYGZ-UHFFFAOYSA-N -1 0 377.422 2.653 50 0 GFAARM CC1(C)Cc2c(sc(NC(=O)C(=O)NCc3ccccc3)c2C(=O)[O-])CO1 ZINC000006754669 209680497 /nfs/dbraw/zinc/68/04/97/209680497.db2.gz JFVZFXIVUOHGHG-UHFFFAOYSA-N -1 0 388.445 2.553 50 0 GFAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1nn(Cc2cccc(F)c2)cc1Cl ZINC000002804898 209388395 /nfs/dbraw/zinc/38/83/95/209388395.db2.gz LIGRTWTVCQDEGS-UHFFFAOYSA-N -1 0 383.836 2.567 50 0 GFAARM CC(C)(C)OC(=O)N[C@H](Cc1cncn1COCc1ccccc1)C(=O)[O-] ZINC000002555012 209370149 /nfs/dbraw/zinc/37/01/49/209370149.db2.gz LPVKZCHCZSFTOJ-MRXNPFEDSA-N -1 0 375.425 2.578 50 0 GFAARM COC(=O)c1cc(=O)n(Cc2ccccc2)/c(=N/c2ccc(C(=O)[O-])cc2)s1 ZINC000002728145 209379614 /nfs/dbraw/zinc/37/96/14/209379614.db2.gz LAMLQSBCHLKYPT-MRCUWXFGSA-N -1 0 396.424 2.675 50 0 GFAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)[O-] ZINC000002384755 209360620 /nfs/dbraw/zinc/36/06/20/209360620.db2.gz JZLZDBGQWRBTHN-NSHDSACASA-N -1 0 391.205 2.812 50 0 GFAARM CCCC[C@@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000002104778 209347868 /nfs/dbraw/zinc/34/78/68/209347868.db2.gz AYHYDNHNIAEVPW-OAHLLOKOSA-N -1 0 375.421 2.808 50 0 GFAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002102322 209347712 /nfs/dbraw/zinc/34/77/12/209347712.db2.gz RTHRIGNITMAFDT-IBGZPJMESA-N -1 0 375.421 2.740 50 0 GFAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000001005025 209289455 /nfs/dbraw/zinc/28/94/55/209289455.db2.gz VHDJPNZIUIWILN-UHFFFAOYSA-N -1 0 384.417 2.538 50 0 GFAARM COc1cccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)[O-])cc2)c1 ZINC000000993366 209287757 /nfs/dbraw/zinc/28/77/57/209287757.db2.gz QUEVJUCOKCXLAK-UHFFFAOYSA-N -1 0 399.399 2.928 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000841937 209272341 /nfs/dbraw/zinc/27/23/41/209272341.db2.gz JBDRPXUSKDZWCL-HNNXBMFYSA-N -1 0 379.434 2.507 50 0 GFAARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=C(C)NCc2cccc(F)c2)C1=O ZINC000005799702 212066307 /nfs/dbraw/zinc/06/63/07/212066307.db2.gz YTDZZIRTQNWMQO-QGOAFFKASA-N -1 0 397.406 2.871 50 0 GFAARM O=S(=O)(c1nnc(C(F)(F)F)[n-]1)c1ncc(C(F)(F)F)cc1Cl ZINC000261494824 212029466 /nfs/dbraw/zinc/02/94/66/212029466.db2.gz KDCVKRAHYQFKJR-UHFFFAOYSA-N -1 0 380.657 2.724 50 0 GFAARM CC(=O)N1CCc2cc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc21 ZINC000013260083 209164561 /nfs/dbraw/zinc/16/45/61/209164561.db2.gz XZSQLOYSSNBJIK-IBGZPJMESA-N -1 0 391.427 2.503 50 0 GFAARM CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000004763717 209139986 /nfs/dbraw/zinc/13/99/86/209139986.db2.gz GTXSTEDIVHHJQL-VNQPRFMTSA-N -1 0 396.509 2.650 50 0 GFAARM O=C([O-])CC[C@@]1(CCC(=O)NCc2cc3cc(Cl)ccc3[nH]2)CCC(=O)N1 ZINC000222890883 211814361 /nfs/dbraw/zinc/81/43/61/211814361.db2.gz MSUGZYBIMPRKJY-LJQANCHMSA-N -1 0 391.855 2.731 50 0 GFAARM Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])sc1-c1ccccc1 ZINC000220489881 211785956 /nfs/dbraw/zinc/78/59/56/211785956.db2.gz YFLBFLYRKWIDNG-CABCVRRESA-N -1 0 375.446 2.712 50 0 GFAARM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1Cl ZINC000105589502 211438448 /nfs/dbraw/zinc/43/84/48/211438448.db2.gz ZXRODKCKCYWOKG-UHFFFAOYSA-N -1 0 375.233 2.902 50 0 GFAARM O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)[N-]S(=O)(=O)C1CCCCC1 ZINC000098055552 211377125 /nfs/dbraw/zinc/37/71/25/211377125.db2.gz LSBYXKFUODPABO-SREVYHEPSA-N -1 0 385.869 2.903 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1 ZINC000100033070 211381913 /nfs/dbraw/zinc/38/19/13/211381913.db2.gz DEABHCWMQZVLQR-MOPGFXCFSA-N -1 0 391.431 2.544 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)c(Cl)c1 ZINC000100033025 211381916 /nfs/dbraw/zinc/38/19/16/211381916.db2.gz IOZKNBMWIVVUEK-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM Cc1nc(-c2ccccc2)[nH]c1C(=O)N1C[C@@H](C(=O)[O-])[C@H](c2ccccn2)C1 ZINC000097347145 211363238 /nfs/dbraw/zinc/36/32/38/211363238.db2.gz XSGAYKFDHWRNFV-HZPDHXFCSA-N -1 0 376.416 2.721 50 0 GFAARM COc1ccc(C(=O)N[C@H](C(=O)NCCCCCCC(=O)[O-])C(C)C)cc1 ZINC000095956949 211287957 /nfs/dbraw/zinc/28/79/57/211287957.db2.gz JCCRWQSXNSRXAC-SFHVURJKSA-N -1 0 378.469 2.601 50 0 GFAARM O=C([O-])CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 ZINC000095463915 211243719 /nfs/dbraw/zinc/24/37/19/211243719.db2.gz FFLJVXIAOYCLHP-UHFFFAOYSA-N -1 0 383.335 2.547 50 0 GFAARM CCOCCn1nc(C)cc1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095355004 211222088 /nfs/dbraw/zinc/22/20/88/211222088.db2.gz DBTDBCCVOSVSHE-GOSISDBHSA-N -1 0 385.464 2.946 50 0 GFAARM O=C([O-])CN1CC2(CCC1=O)CCN(C(=O)c1cccc3ccccc31)CC2 ZINC000091350925 211190022 /nfs/dbraw/zinc/19/00/22/211190022.db2.gz XMIJONOOAFMGBO-UHFFFAOYSA-N -1 0 380.444 2.769 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1F ZINC000078902675 211149631 /nfs/dbraw/zinc/14/96/31/211149631.db2.gz VNFODVDDXDFPLC-UHFFFAOYSA-N -1 0 375.381 2.570 50 0 GFAARM CCn1cnc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N2CCCC2)c1 ZINC000072310242 211088491 /nfs/dbraw/zinc/08/84/91/211088491.db2.gz SYUZGSMSDCSJDE-UHFFFAOYSA-N -1 0 382.873 2.593 50 0 GFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cccc([C@@H](C)OC)c2)c1 ZINC000071639314 211052475 /nfs/dbraw/zinc/05/24/75/211052475.db2.gz NLGBOVINZLDKMQ-CYBMUJFWSA-N -1 0 393.461 2.684 50 0 GFAARM COc1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCC3)c2)cc1OC ZINC000071681252 211051392 /nfs/dbraw/zinc/05/13/92/211051392.db2.gz RHHURSMUMNOFQX-UHFFFAOYSA-N -1 0 391.445 2.854 50 0 GFAARM Cc1cc(C)c(C)c2occ(CC(=O)N3CCc4c(c(C(=O)[O-])nn4C)C3)c21 ZINC000067956392 211032119 /nfs/dbraw/zinc/03/21/19/211032119.db2.gz GUTZLWKIKLGVHU-UHFFFAOYSA-N -1 0 381.432 2.917 50 0 GFAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccccc3OC)cc2C1 ZINC000065196197 210973424 /nfs/dbraw/zinc/97/34/24/210973424.db2.gz GWEUETBOMJCHCF-UHFFFAOYSA-N -1 0 380.491 2.852 50 0 GFAARM COc1ccc(CNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1C(=O)[O-] ZINC000299741102 210826096 /nfs/dbraw/zinc/82/60/96/210826096.db2.gz CTKMIYBCYVHMLU-QGZVFWFLSA-N -1 0 385.416 2.881 50 0 GFAARM CC(C)CNC(=O)CCC1=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)[N-]1 ZINC000020940044 210370336 /nfs/dbraw/zinc/37/03/36/210370336.db2.gz YMWWHNCZOQYVRZ-UHFFFAOYSA-N -1 0 377.388 2.580 50 0 GFAARM CCC(NCc1cccnc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020329392 210328575 /nfs/dbraw/zinc/32/85/75/210328575.db2.gz ITEXRTSECOQWKY-FOCLMDBBSA-N -1 0 384.823 2.772 50 0 GFAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C)ccc12 ZINC000008739765 221053721 /nfs/dbraw/zinc/05/37/21/221053721.db2.gz LGGQZCNWICHIPE-SJKOYZFVSA-N -1 0 375.421 2.657 50 0 GFAARM Cc1ccccc1N1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)[C@@H](C)C1 ZINC000077425264 136172113 /nfs/dbraw/zinc/17/21/13/136172113.db2.gz GBXKBTLRVZVTSA-KRWDZBQOSA-N -1 0 376.460 2.825 50 0 GFAARM CC[C@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)[O-])cc3OC)nc2N1C(C)C ZINC000095628817 136182553 /nfs/dbraw/zinc/18/25/53/136182553.db2.gz QNLSHJVWZNHSED-AWEZNQCLSA-N -1 0 399.451 2.897 50 0 GFAARM CCc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1-c1ccc(Br)cc1 ZINC000178268902 523687451 /nfs/dbraw/zinc/68/74/51/523687451.db2.gz IRSYFNVTTWDWLV-LLVKDONJSA-N -1 0 392.253 2.744 50 0 GFAARM COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1Br ZINC000006315996 551098745 /nfs/dbraw/zinc/09/87/45/551098745.db2.gz QYRFRUYEFVFJOF-UHFFFAOYSA-N -1 0 386.223 2.957 50 0 GFAARM O=C([O-])CC[C@@]1(CCC(=O)NCc2cccc(Cl)c2Cl)CCC(=O)N1 ZINC000223823318 553057191 /nfs/dbraw/zinc/05/71/91/553057191.db2.gz PGSLWFIQBHYTQS-QGZVFWFLSA-N -1 0 387.263 2.903 50 0 GFAARM O=C([O-])C[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cccs1 ZINC000299742026 563390905 /nfs/dbraw/zinc/39/09/05/563390905.db2.gz ARZAVMYCRNZMNR-FZMZJTMJSA-N -1 0 376.459 2.883 50 0 GFAARM Cn1nc(C(=O)[O-])cc1C(=O)NC1(c2ccccc2Br)CCC1 ZINC000630197876 565886608 /nfs/dbraw/zinc/88/66/08/565886608.db2.gz FAVLHQQKGQCFNM-UHFFFAOYSA-N -1 0 378.226 2.690 50 0 GFAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)c1 ZINC000048232377 570223984 /nfs/dbraw/zinc/22/39/84/570223984.db2.gz FUKVXEGKZLQFNL-UHFFFAOYSA-N -1 0 382.869 2.991 50 0 GFAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146911 570276943 /nfs/dbraw/zinc/27/69/43/570276943.db2.gz FJDLISLMTRJPPZ-AWEZNQCLSA-N -1 0 378.425 2.535 50 0 GFAARM Cc1cccc(-n2nnnc2SCC(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC000012293283 570292523 /nfs/dbraw/zinc/29/25/23/570292523.db2.gz JEOQBBBFZFPNIU-UHFFFAOYSA-N -1 0 383.433 2.708 50 0 GFAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000007059954 570312811 /nfs/dbraw/zinc/31/28/11/570312811.db2.gz TZQWMMNARIPAFS-UHFFFAOYSA-N -1 0 396.852 2.676 50 0 GFAARM Cc1ccc(C)c(N(C)S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1 ZINC000053669636 570327935 /nfs/dbraw/zinc/32/79/35/570327935.db2.gz LCGOIXNAYCMLKY-UHFFFAOYSA-N -1 0 377.418 2.598 50 0 GFAARM O=C([O-])c1ccc(-c2nc3c([nH]2)CCN(C(=O)c2cc(C4CC4)n[nH]2)C3)cc1 ZINC000218289949 570330060 /nfs/dbraw/zinc/33/00/60/570330060.db2.gz PATVKDLOSWZXIJ-UHFFFAOYSA-N -1 0 377.404 2.574 50 0 GFAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)cc1C ZINC000035405400 570351740 /nfs/dbraw/zinc/35/17/40/570351740.db2.gz NJHDNXJVINIYBC-UHFFFAOYSA-N -1 0 380.491 2.638 50 0 GFAARM CC(C)[C@@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004017380 570354636 /nfs/dbraw/zinc/35/46/36/570354636.db2.gz AKFSMLYJKZHSPM-VWAQSERHSA-N -1 0 375.424 2.988 50 0 GFAARM COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205974086 570357356 /nfs/dbraw/zinc/35/73/56/570357356.db2.gz VVMZNTZUOVERNI-ZDUSSCGKSA-N -1 0 390.342 2.697 50 0 GFAARM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000237732551 570393084 /nfs/dbraw/zinc/39/30/84/570393084.db2.gz MMTHMLLIMQQASP-VQTJNVASSA-N -1 0 394.471 2.546 50 0 GFAARM Cc1nc(-c2cnn(C)c2)sc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237734139 570393407 /nfs/dbraw/zinc/39/34/07/570393407.db2.gz LBJXQBBHSBTJND-OAHLLOKOSA-N -1 0 382.445 2.504 50 0 GFAARM C[C@H]1CCCN(C(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C1 ZINC000006368676 570401644 /nfs/dbraw/zinc/40/16/44/570401644.db2.gz NECVLXJLTKVCDJ-ZDUSSCGKSA-N -1 0 391.522 2.706 50 0 GFAARM CCN1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000004756862 570403640 /nfs/dbraw/zinc/40/36/40/570403640.db2.gz MPOPTDPQVQVLPP-UHFFFAOYSA-N -1 0 387.505 2.574 50 0 GFAARM O=C([N-][C@@H](N1CCOCC1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000025315687 570410577 /nfs/dbraw/zinc/41/05/77/570410577.db2.gz YMXAWKDEQJBWCG-YFKPBYRVSA-N -1 0 378.898 2.501 50 0 GFAARM COc1cc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc(OC)c1OC ZINC000004844755 570411673 /nfs/dbraw/zinc/41/16/73/570411673.db2.gz AJVKYHUBIRUWIA-UHFFFAOYSA-N -1 0 390.417 2.537 50 0 GFAARM Cc1nc2c(cc(-c3cccs3)nc2C(=O)[O-])n1[C@@H]1CCS(=O)(=O)C1 ZINC000035682605 570413538 /nfs/dbraw/zinc/41/35/38/570413538.db2.gz NTPADBXLVCKHRI-SNVBAGLBSA-N -1 0 377.447 2.526 50 0 GFAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCO1 ZINC000238195644 570430557 /nfs/dbraw/zinc/43/05/57/570430557.db2.gz IKKLVXUANSZSTK-CQSZACIVSA-N -1 0 378.812 2.630 50 0 GFAARM COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000008473690 570532403 /nfs/dbraw/zinc/53/24/03/570532403.db2.gz BWYMGXYAXXHOGE-CYBMUJFWSA-N -1 0 399.399 2.927 50 0 GFAARM Cc1c([O-])nc(SCC(=O)NC2CCCCC2)n(-c2ccc(F)cc2)c1=O ZINC000001178035 570535210 /nfs/dbraw/zinc/53/52/10/570535210.db2.gz LWSHSCUUENJDEL-UHFFFAOYSA-N -1 0 391.468 2.927 50 0 GFAARM COc1cc(CCC(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000269201708 570552221 /nfs/dbraw/zinc/55/22/21/570552221.db2.gz RKSGBEIZSBFFDE-GFCCVEGCSA-N -1 0 375.343 2.502 50 0 GFAARM Cc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1N1CCCC1=O ZINC000005329287 570554657 /nfs/dbraw/zinc/55/46/57/570554657.db2.gz AUROINZGJQRPMD-UHFFFAOYSA-N -1 0 388.445 2.694 50 0 GFAARM CCOCCOc1ccc(-c2nnc(CCC(=O)N[C@H](C)CC)c(=O)[n-]2)cc1 ZINC000040426058 570577546 /nfs/dbraw/zinc/57/75/46/570577546.db2.gz UHNUBEGRTZWFSU-CQSZACIVSA-N -1 0 388.468 2.507 50 0 GFAARM O=C(CCc1cccs1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006800774 570603172 /nfs/dbraw/zinc/60/31/72/570603172.db2.gz SDBADVCLPXSTMZ-UHFFFAOYSA-N -1 0 388.474 2.910 50 0 GFAARM CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004598917 570631629 /nfs/dbraw/zinc/63/16/29/570631629.db2.gz XGJGWYRHLPSMLW-IAGOWNOFSA-N -1 0 378.469 2.943 50 0 GFAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1 ZINC000044901140 570640402 /nfs/dbraw/zinc/64/04/02/570640402.db2.gz IDANGJVEQFZJGW-UHFFFAOYSA-N -1 0 389.838 2.776 50 0 GFAARM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000012390541 570643037 /nfs/dbraw/zinc/64/30/37/570643037.db2.gz STUSHGYZISJVPV-QGZVFWFLSA-N -1 0 389.452 2.855 50 0 GFAARM CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000273709814 570685917 /nfs/dbraw/zinc/68/59/17/570685917.db2.gz LBGPLUCVSGFXQV-KRWDZBQOSA-N -1 0 394.880 2.716 50 0 GFAARM CCSc1nnc(-c2ccccc2NC(=O)c2cnc(C)nc2C)c(=O)[n-]1 ZINC000055402071 570694283 /nfs/dbraw/zinc/69/42/83/570694283.db2.gz QOEOIXSWKBXYMM-UHFFFAOYSA-N -1 0 382.449 2.603 50 0 GFAARM Cn1nc(-c2csc(S(=O)(=O)[N-]c3cc(F)ccc3F)c2)ccc1=O ZINC000065119415 570702680 /nfs/dbraw/zinc/70/26/80/570702680.db2.gz CWJQUTMIOWYFJB-UHFFFAOYSA-N -1 0 383.401 2.588 50 0 GFAARM Cc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1F ZINC000006918584 570704047 /nfs/dbraw/zinc/70/40/47/570704047.db2.gz PGRQWTJACFZYRW-UHFFFAOYSA-N -1 0 379.438 2.976 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCc3ccc(Cl)cc32)cc2c1OCCO2 ZINC000058495797 570734460 /nfs/dbraw/zinc/73/44/60/570734460.db2.gz ZOWLSFKXKCKPQE-UHFFFAOYSA-N -1 0 395.820 2.561 50 0 GFAARM CC[C@H](C)C(=O)N1CCc2nc3cc(-c4ccc(OC)cc4)[n-]n3c(=O)c2C1 ZINC000097942116 570744349 /nfs/dbraw/zinc/74/43/49/570744349.db2.gz ZQCMPRTWLQXHGK-ZDUSSCGKSA-N -1 0 380.448 2.629 50 0 GFAARM CN(Cc1ccc(Br)o1)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000170011970 570783058 /nfs/dbraw/zinc/78/30/58/570783058.db2.gz CTZKNZGPXJZKIE-UHFFFAOYSA-N -1 0 392.202 2.700 50 0 GFAARM O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000004654006 570806503 /nfs/dbraw/zinc/80/65/03/570806503.db2.gz ZMXUOCDIQZRGHI-CYBMUJFWSA-N -1 0 398.278 2.986 50 0 GFAARM Cc1ccc(NC(=O)c2nnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2)cc1 ZINC000101353383 570819776 /nfs/dbraw/zinc/81/97/76/570819776.db2.gz RSWLFTAREAHWCY-MRXNPFEDSA-N -1 0 375.388 2.822 50 0 GFAARM O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000033141050 570827634 /nfs/dbraw/zinc/82/76/34/570827634.db2.gz ZGWGZUBQRKUDOS-JTQLQIEISA-N -1 0 389.868 2.888 50 0 GFAARM COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1cccnc1 ZINC000101836789 570837121 /nfs/dbraw/zinc/83/71/21/570837121.db2.gz RDQGBKJLEBRNKG-MRXNPFEDSA-N -1 0 391.387 2.522 50 0 GFAARM O=C(Nc1ccc(OCc2cc(=O)n3nc[n-]c3n2)cc1)c1cccc(Cl)c1 ZINC000102621582 570854467 /nfs/dbraw/zinc/85/44/67/570854467.db2.gz AFJMHFZDTKWYHG-UHFFFAOYSA-N -1 0 395.806 2.902 50 0 GFAARM Cn1c(=O)c2ccc(C(=O)N(CC(F)F)C[C@@H]3CCC=CO3)cc2[n-]c1=S ZINC000170600578 570858668 /nfs/dbraw/zinc/85/86/68/570858668.db2.gz GXUGOEPFKWIZLX-LBPRGKRZSA-N -1 0 395.431 2.622 50 0 GFAARM COc1cccc(C[C@@H](C(=O)Nc2cc(C)ccc2C)c2nnn[n-]2)c1OC ZINC000005682097 570898450 /nfs/dbraw/zinc/89/84/50/570898450.db2.gz LARINEIHABWTII-OAHLLOKOSA-N -1 0 381.436 2.799 50 0 GFAARM CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc([N-]S(C)(=O)=O)n1 ZINC000032903438 570899831 /nfs/dbraw/zinc/89/98/31/570899831.db2.gz LUDVOSRWAODVCH-UHFFFAOYSA-N -1 0 393.943 2.821 50 0 GFAARM COc1ccc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1OC ZINC000023125741 570909964 /nfs/dbraw/zinc/90/99/64/570909964.db2.gz HAAMMCZJCZLDNF-QZTJIDSGSA-N -1 0 380.404 2.818 50 0 GFAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000237964799 570945014 /nfs/dbraw/zinc/94/50/14/570945014.db2.gz BTDFASSEYOFPND-XJKSGUPXSA-N -1 0 378.856 2.796 50 0 GFAARM O=C(C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1)OCn1nnc2ccccc21 ZINC000020509328 570951479 /nfs/dbraw/zinc/95/14/79/570951479.db2.gz FEYLPYDGAJKJKM-CQSZACIVSA-N -1 0 392.337 2.742 50 0 GFAARM COc1ccc(C2(C(=O)[N-]S(=O)(=O)c3c(C)noc3C)CCCC2)cc1 ZINC000060765695 570991373 /nfs/dbraw/zinc/99/13/73/570991373.db2.gz MWNBPPWUHIWMPP-UHFFFAOYSA-N -1 0 378.450 2.617 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1ccccc1 ZINC000299749064 600851570 /nfs/dbraw/zinc/85/15/70/600851570.db2.gz JARRPEAIUUUXSB-OAHLLOKOSA-N -1 0 387.823 2.815 50 0 GFAARM COCCn1c(C)c(C)c2cc(C(=O)N(CC(=O)[O-])C3CCOCC3)ccc21 ZINC000531748467 600960495 /nfs/dbraw/zinc/96/04/95/600960495.db2.gz SREZQBIGWAAKCV-UHFFFAOYSA-N -1 0 388.464 2.610 50 0 GFAARM CCOc1c(Br)cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000262539535 601627014 /nfs/dbraw/zinc/62/70/14/601627014.db2.gz KRDBLRBUTBSXEJ-GFCCVEGCSA-N -1 0 386.242 2.936 50 0 GFAARM Cc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1C ZINC000299751817 601739387 /nfs/dbraw/zinc/73/93/87/601739387.db2.gz RWZZPWWCRCTFLY-QGZVFWFLSA-N -1 0 381.428 2.850 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc2c1OCCO2 ZINC000057115819 654800711 /nfs/dbraw/zinc/80/07/11/654800711.db2.gz UFRNBSUMQSHPAJ-UHFFFAOYSA-N -1 0 387.772 2.749 50 0 GFAARM C[C@H](CN(Cc1ccccc1)C(=O)CCNC(=O)/C=C\c1ccco1)C(=O)[O-] ZINC000221908504 222605691 /nfs/dbraw/zinc/60/56/91/222605691.db2.gz WTLHSFCVNSQWIJ-ZBTGYSDGSA-N -1 0 384.432 2.549 50 0 GFAARM COc1ccc(CNC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1C(=O)[O-] ZINC000299753510 222784568 /nfs/dbraw/zinc/78/45/68/222784568.db2.gz YJHMVCQGBOTIGM-KRWDZBQOSA-N -1 0 385.416 2.881 50 0 GFAARM Cc1ccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)[O-])cc(c43)C2=O)cc1 ZINC000001572998 212249877 /nfs/dbraw/zinc/24/98/77/212249877.db2.gz NISZMWZPLJGKCC-UHFFFAOYSA-N -1 0 382.397 2.778 50 0 in-vitro GFAARM Cn1nc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)s3)c2)ccc1=O ZINC000010324807 212245702 /nfs/dbraw/zinc/24/57/02/212245702.db2.gz AXBKRSHNTVZYDX-UHFFFAOYSA-N -1 0 381.866 2.963 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)ncn1 ZINC000001226777 212230986 /nfs/dbraw/zinc/23/09/86/212230986.db2.gz IJEKDBHPAUBZRN-UHFFFAOYSA-N -1 0 384.417 2.538 50 0 GFAARM COc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)[O-])cc1 ZINC000001198810 212228595 /nfs/dbraw/zinc/22/85/95/212228595.db2.gz KPAQYWSZGOPYON-OQLLNIDSSA-N -1 0 387.388 2.577 50 0 GFAARM COc1cccc2c(S(=O)(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])ccnc12 ZINC000001102644 212216463 /nfs/dbraw/zinc/21/64/63/212216463.db2.gz RXGHJANOPCVWMS-LJQANCHMSA-N -1 0 398.440 2.616 50 0 GFAARM COc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1 ZINC000001050177 212211320 /nfs/dbraw/zinc/21/13/20/212211320.db2.gz OTOVPVWUAPUWOK-UHFFFAOYSA-N -1 0 375.446 2.502 50 0 GFAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008778924 221058313 /nfs/dbraw/zinc/05/83/13/221058313.db2.gz LFOIGSXJWNYRMN-ZDUSSCGKSA-N -1 0 396.415 2.674 50 0 GFAARM Cc1cc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)[O-])cc3C2=O)no1 ZINC000009225155 221075120 /nfs/dbraw/zinc/07/51/20/221075120.db2.gz TWDMKSFDIUKFSV-UHFFFAOYSA-N -1 0 391.339 2.734 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)NCc3ccccc3)c2)cc1 ZINC000009807793 221092116 /nfs/dbraw/zinc/09/21/16/221092116.db2.gz IRHHSZRUESMPRV-UHFFFAOYSA-N -1 0 397.456 2.821 50 0 GFAARM COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000092020118 533219774 /nfs/dbraw/zinc/21/97/74/533219774.db2.gz IGRYUYIBHKYDFP-INIZCTEOSA-N -1 0 381.436 2.753 50 0 GFAARM COc1ccc(CCNc2nc(=O)c(Cc3ccc(F)cc3)n[n-]2)cc1OC ZINC000011419608 221116376 /nfs/dbraw/zinc/11/63/76/221116376.db2.gz ZOVCKGVVFUZXBI-UHFFFAOYSA-N -1 0 384.411 2.567 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCCc2nc3ccccc3[nH]2)c1C ZINC000012549927 221204752 /nfs/dbraw/zinc/20/47/52/221204752.db2.gz OOOIWPQFQRRKOK-UHFFFAOYSA-N -1 0 387.461 2.789 50 0 GFAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1 ZINC000012557258 221207120 /nfs/dbraw/zinc/20/71/20/221207120.db2.gz VTHQKAXFYPXEAO-UHFFFAOYSA-N -1 0 388.445 2.510 50 0 GFAARM Cc1cc(C)n(-c2nnc3n2N=C(c2ccc(C)cc2)[C@@H](CC(=O)[O-])S3)n1 ZINC000013013815 221258164 /nfs/dbraw/zinc/25/81/64/221258164.db2.gz MMIYYMATDPXZGS-CQSZACIVSA-N -1 0 382.449 2.590 50 0 GFAARM COc1ccc(-c2nc(C(=O)N3CCC(C(=O)[O-])CC3)cs2)cc1OC ZINC000013425673 221268295 /nfs/dbraw/zinc/26/82/95/221268295.db2.gz UQWBVZTZLMNLPR-UHFFFAOYSA-N -1 0 376.434 2.764 50 0 GFAARM Cc1cnc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)s1 ZINC000013692577 221281816 /nfs/dbraw/zinc/28/18/16/221281816.db2.gz NZWPBFBLWLCDCF-UHFFFAOYSA-N -1 0 394.503 2.890 50 0 GFAARM CC(C)(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cn1[n-]c(=O)ccc1=O ZINC000015062498 221328394 /nfs/dbraw/zinc/32/83/94/221328394.db2.gz FQKFHEMPFQCSBL-FQEVSTJZSA-N -1 0 380.448 2.602 50 0 GFAARM O=C([O-])COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl ZINC000069516276 136165069 /nfs/dbraw/zinc/16/50/69/136165069.db2.gz XNFLZLBMNJDVTQ-UHFFFAOYSA-N -1 0 381.837 2.945 50 0 GFAARM COc1cc(C=CC(O)=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1O ZINC000101385196 136189492 /nfs/dbraw/zinc/18/94/92/136189492.db2.gz PFQCYYRUIDVHIU-PDDQHUICSA-N -1 0 398.346 2.648 50 0 GFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000006732880 136195267 /nfs/dbraw/zinc/19/52/67/136195267.db2.gz ZILHQKCZVJDCRB-UHFFFAOYSA-N -1 0 388.445 2.573 50 0 GFAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Br)ccc1F ZINC000055311607 222019582 /nfs/dbraw/zinc/01/95/82/222019582.db2.gz GPGDFEYOBHYHBF-UHFFFAOYSA-N -1 0 378.175 2.989 50 0 GFAARM CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000059773638 222058051 /nfs/dbraw/zinc/05/80/51/222058051.db2.gz ZHBCOBNIRADZTR-UHFFFAOYSA-N -1 0 395.440 2.908 50 0 GFAARM CC(C)C[C@H](NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O)C(=O)[O-] ZINC000061719827 222062572 /nfs/dbraw/zinc/06/25/72/222062572.db2.gz RISRROMVWBINST-IBGZPJMESA-N -1 0 393.443 2.679 50 0 GFAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N(C)C[C@@H]2COCCO2)cc1 ZINC000064820312 222083673 /nfs/dbraw/zinc/08/36/73/222083673.db2.gz ZNKWVPNLJBCDFZ-QGZVFWFLSA-N -1 0 384.432 2.797 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c(cc1C)n(C)c(=O)n2C ZINC000064976530 222091042 /nfs/dbraw/zinc/09/10/42/222091042.db2.gz MBGAOEIJWFJWJW-UHFFFAOYSA-N -1 0 395.868 2.648 50 0 GFAARM O=C([O-])CNc1ccccc1C(=O)N(Cc1cccnc1)Cc1cccnc1 ZINC000065404635 222128252 /nfs/dbraw/zinc/12/82/52/222128252.db2.gz WHMWMBCWKAMTNY-UHFFFAOYSA-N -1 0 376.416 2.816 50 0 GFAARM CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(c2n[n-]c(=S)o2)CC1 ZINC000065591320 222135978 /nfs/dbraw/zinc/13/59/78/222135978.db2.gz VVMOGDJFSMTJLC-UHFFFAOYSA-N -1 0 395.506 2.934 50 0 GFAARM CC1(C)[C@H](C(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)[C@@H]1C(=O)[O-] ZINC000071288682 222180832 /nfs/dbraw/zinc/18/08/32/222180832.db2.gz MJLRIFZRTSPKQX-ZWKOTPCHSA-N -1 0 382.416 2.999 50 0 GFAARM CSc1ccc(N2C[C@@H](C(=O)NC3(C(=O)[O-])CCCCC3)CC2=O)cc1 ZINC000071802780 222198549 /nfs/dbraw/zinc/19/85/49/222198549.db2.gz JNWVANFPQQXGIK-ZDUSSCGKSA-N -1 0 376.478 2.665 50 0 GFAARM O=C([O-])C[C@H]1COCCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000072157829 222212803 /nfs/dbraw/zinc/21/28/03/222212803.db2.gz IWUHEWAXUOZRAB-IBGZPJMESA-N -1 0 378.432 2.610 50 0 GFAARM CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1ccc([O-])c(Cl)c1)CC2 ZINC000072431674 222261278 /nfs/dbraw/zinc/26/12/78/222261278.db2.gz SVAAUWGFQGMUSN-OAHLLOKOSA-N -1 0 380.872 2.837 50 0 GFAARM O=c1[n-]c(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)n[nH]1 ZINC000092869955 222329487 /nfs/dbraw/zinc/32/94/87/222329487.db2.gz GBOVHLRDYAVHSY-UHFFFAOYSA-N -1 0 388.840 2.944 50 0 GFAARM COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c1 ZINC000095969543 222366157 /nfs/dbraw/zinc/36/61/57/222366157.db2.gz IBQRVIVCPQBORQ-UHFFFAOYSA-N -1 0 384.388 2.862 50 0 GFAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1 ZINC000095992042 222369525 /nfs/dbraw/zinc/36/95/25/222369525.db2.gz TYDLWZIZEBZHBN-NVXWUHKLSA-N -1 0 390.455 2.781 50 0 GFAARM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)cn3)ccc2N1 ZINC000096136944 222386185 /nfs/dbraw/zinc/38/61/85/222386185.db2.gz JMWRJKLQZYCDQZ-UHFFFAOYSA-N -1 0 382.239 2.530 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1Cl ZINC000100036729 222455208 /nfs/dbraw/zinc/45/52/08/222455208.db2.gz OJUPUFGIEMIFIK-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM Cc1cccc(C(C)C)c1NC(=O)C(=O)c1c(N)[n-]n(-c2ccccc2)c1=O ZINC000100721946 222461405 /nfs/dbraw/zinc/46/14/05/222461405.db2.gz FZYNHJHLTGBGJP-INIZCTEOSA-N -1 0 378.432 2.561 50 0 GFAARM COc1ccc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1OC ZINC000101260755 222468783 /nfs/dbraw/zinc/46/87/83/222468783.db2.gz HAAMMCZJCZLDNF-MSOLQXFVSA-N -1 0 380.404 2.818 50 0 GFAARM O=C([O-])[C@@H]1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)C1 ZINC000269181842 526277916 /nfs/dbraw/zinc/27/79/16/526277916.db2.gz LMNRQMBFKVEXBH-OAHLLOKOSA-N -1 0 379.416 2.548 50 0 GFAARM Cc1oc(CN(C)C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cc1C(=O)[O-] ZINC000262475286 526769565 /nfs/dbraw/zinc/76/95/65/526769565.db2.gz JVIGXTSKJRMBNV-UHFFFAOYSA-N -1 0 391.811 2.741 50 0 GFAARM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc21 ZINC000021756832 536765782 /nfs/dbraw/zinc/76/57/82/536765782.db2.gz YPUOLXOZWZLBMR-UHFFFAOYSA-N -1 0 380.491 2.783 50 0 GFAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1ccccc1F ZINC000004853628 551095071 /nfs/dbraw/zinc/09/50/71/551095071.db2.gz VFXDXEYDAHBDCT-UHFFFAOYSA-N -1 0 383.401 2.807 50 0 GFAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)n[nH]c2C)c(C(F)(F)F)c1 ZINC000021963512 551116873 /nfs/dbraw/zinc/11/68/73/551116873.db2.gz PIPUZIANHCAHBO-UHFFFAOYSA-N -1 0 376.360 2.805 50 0 GFAARM CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000170609094 551635613 /nfs/dbraw/zinc/63/56/13/551635613.db2.gz XOFIPXIDHGQPIW-UHFFFAOYSA-N -1 0 388.218 2.742 50 0 GFAARM Cc1cc(C(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)c(C)n1C(C)C ZINC000170621930 551636144 /nfs/dbraw/zinc/63/61/44/551636144.db2.gz GLJPUGPFQWDMCI-UHFFFAOYSA-N -1 0 381.523 2.780 50 0 GFAARM Cn1nncc1[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000225393301 553058943 /nfs/dbraw/zinc/05/89/43/553058943.db2.gz BSYGIMXUTVVHQQ-UHFFFAOYSA-N -1 0 386.058 2.685 50 0 GFAARM CC(C)(C)OC(=O)[N-]S(=O)(=O)NCc1ncc(C(F)(F)F)cc1Cl ZINC000263639902 553189877 /nfs/dbraw/zinc/18/98/77/553189877.db2.gz NVCANPMVJDXLSM-UHFFFAOYSA-N -1 0 389.783 2.613 50 0 GFAARM Cc1ocnc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000576937749 564721463 /nfs/dbraw/zinc/72/14/63/564721463.db2.gz NLEICWLQVVRKGD-OLZOCXBDSA-N -1 0 379.210 2.686 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000100033415 570265426 /nfs/dbraw/zinc/26/54/26/570265426.db2.gz RRACYGINEVLGTQ-SJORKVTESA-N -1 0 397.822 2.580 50 0 GFAARM CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000020567846 570268345 /nfs/dbraw/zinc/26/83/45/570268345.db2.gz FJJJWHVPBARVTC-UHFFFAOYSA-N -1 0 389.477 2.840 50 0 GFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1 ZINC000022843877 570330757 /nfs/dbraw/zinc/33/07/57/570330757.db2.gz SBRUMELYPYNXSH-UHFFFAOYSA-N -1 0 394.474 2.572 50 0 GFAARM COC(=O)C[C@H](c1ccc(OC)cc1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205954048 570340794 /nfs/dbraw/zinc/34/07/94/570340794.db2.gz ICYOUTVQXFMTHK-CQSZACIVSA-N -1 0 388.807 2.757 50 0 GFAARM C[C@@H]1CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])C[C@H](C)O1 ZINC000004297030 570366127 /nfs/dbraw/zinc/36/61/27/570366127.db2.gz WRAPDKKJWYYHSI-OKILXGFUSA-N -1 0 390.461 2.799 50 0 GFAARM COc1cc([C@@H](CC(=O)[O-])CC(=O)Nc2cc(C)on2)cc(OC)c1OC ZINC000004377520 570372213 /nfs/dbraw/zinc/37/22/13/570372213.db2.gz NIJNUYAEFGRWCS-GFCCVEGCSA-N -1 0 378.381 2.596 50 0 GFAARM O=C([O-])c1ccccc1C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000004390462 570373086 /nfs/dbraw/zinc/37/30/86/570373086.db2.gz MDHASBWGCWIERN-UHFFFAOYSA-N -1 0 379.338 2.761 50 0 GFAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N4CCCC4)c3=O)c2c1 ZINC000004951039 570380692 /nfs/dbraw/zinc/38/06/92/570380692.db2.gz KSAAVWLALUHHIU-UHFFFAOYSA-N -1 0 386.477 2.952 50 0 GFAARM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237604375 570382245 /nfs/dbraw/zinc/38/22/45/570382245.db2.gz IJQRBOCUSUCBSZ-SFHVURJKSA-N -1 0 379.819 2.969 50 0 GFAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000237653615 570387819 /nfs/dbraw/zinc/38/78/19/570387819.db2.gz WZYZZZQNNWWWMS-IBGZPJMESA-N -1 0 380.444 2.997 50 0 GFAARM CC(=O)Nc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1F ZINC000024992079 570408473 /nfs/dbraw/zinc/40/84/73/570408473.db2.gz SRQKBHPOQGVBPL-UHFFFAOYSA-N -1 0 386.788 2.937 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000004862900 570413455 /nfs/dbraw/zinc/41/34/55/570413455.db2.gz HSVKCNAZNOMLDI-WBVHZDCISA-N -1 0 397.818 2.637 50 0 GFAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)CCSc1ccc(F)cc1 ZINC000006432064 570417138 /nfs/dbraw/zinc/41/71/38/570417138.db2.gz BIXCPWPCRNIJNY-UHFFFAOYSA-N -1 0 391.420 2.816 50 0 GFAARM COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC2 ZINC000268880526 570432831 /nfs/dbraw/zinc/43/28/31/570432831.db2.gz DEFHSJCLNQXTIX-QWQRMKEZSA-N -1 0 387.457 2.960 50 0 GFAARM C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)C1=O ZINC000268889910 570440616 /nfs/dbraw/zinc/44/06/16/570440616.db2.gz IXSNPVPWPQDZIH-DOTOQJQBSA-N -1 0 396.443 2.913 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H]1OCCc2ccccc21 ZINC000268890021 570442198 /nfs/dbraw/zinc/44/21/98/570442198.db2.gz JHZAPNACRUYFMX-VQTJNVASSA-N -1 0 378.428 2.984 50 0 GFAARM CCCOc1c(Cl)cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1OCC ZINC000262706000 570454840 /nfs/dbraw/zinc/45/48/40/570454840.db2.gz DFAKFKBYEMRBDV-CYBMUJFWSA-N -1 0 385.844 2.843 50 0 GFAARM COc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc(Cl)c1OCCC(C)C ZINC000262987874 570494135 /nfs/dbraw/zinc/49/41/35/570494135.db2.gz NYVMYPKJCIRGLX-OAHLLOKOSA-N -1 0 385.844 2.699 50 0 GFAARM COc1cc(CCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000269048459 570511099 /nfs/dbraw/zinc/51/10/99/570511099.db2.gz UKHXKEJWVCJVAI-QGZVFWFLSA-N -1 0 389.370 2.892 50 0 GFAARM COCCn1c(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2[n-]c1=S ZINC000002969756 570523467 /nfs/dbraw/zinc/52/34/67/570523467.db2.gz OSVGOHXJMQKJEC-UHFFFAOYSA-N -1 0 387.505 2.952 50 0 GFAARM O=C(CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NC1CCCCC1 ZINC000002975367 570525023 /nfs/dbraw/zinc/52/50/23/570525023.db2.gz KVKGSVFJJGORDF-UHFFFAOYSA-N -1 0 375.450 2.627 50 0 GFAARM COc1ccc(-n2c(=O)cc([O-])nc2SCC(=O)Nc2ccccc2C)cc1 ZINC000008576567 570534793 /nfs/dbraw/zinc/53/47/93/570534793.db2.gz SSIIXTAPDAXINL-UHFFFAOYSA-N -1 0 397.456 2.986 50 0 GFAARM COc1ccccc1CNC(C)=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000006691217 570538223 /nfs/dbraw/zinc/53/82/23/570538223.db2.gz CSQMAFKVGBXZPN-SFQUDFHCSA-N -1 0 399.834 2.995 50 0 GFAARM CCOC(=O)N1CCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC000006760105 570574843 /nfs/dbraw/zinc/57/48/43/570574843.db2.gz KSQYRHHLOXURCM-UHFFFAOYSA-N -1 0 381.454 2.631 50 0 GFAARM CC(=O)N1CC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000685945000 570675386 /nfs/dbraw/zinc/67/53/86/570675386.db2.gz NOOVMPHDEKBWLV-JOCHJYFZSA-N -1 0 394.427 2.601 50 0 GFAARM CC(=O)N[C@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000236720575 570679644 /nfs/dbraw/zinc/67/96/44/570679644.db2.gz YLPJKYNZZUJIBR-WOJBJXKFSA-N -1 0 380.444 2.600 50 0 GFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2oc(=O)c3ncn(C)c3c2c1 ZINC000006887452 570681804 /nfs/dbraw/zinc/68/18/04/570681804.db2.gz BHTKBWJIKMWUBT-UHFFFAOYSA-N -1 0 399.428 2.798 50 0 GFAARM COc1cccc(-c2nc(CC(=O)N[C@H](CCSC)C(=O)[O-])cs2)c1 ZINC000036585365 570744274 /nfs/dbraw/zinc/74/42/74/570744274.db2.gz PWAUOPODHVXJHW-CQSZACIVSA-N -1 0 380.491 2.684 50 0 GFAARM CCOc1ccc(N2C(=O)C(=Cc3ccccc3OCC(=O)[O-])NC2=S)cc1 ZINC000005900225 570802178 /nfs/dbraw/zinc/80/21/78/570802178.db2.gz BBCFTLQEDNEFOD-LFIBNONCSA-N -1 0 398.440 2.811 50 0 GFAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1 ZINC000101168365 570815022 /nfs/dbraw/zinc/81/50/22/570815022.db2.gz PYIZVOIBLJUBDA-RTBURBONSA-N -1 0 391.431 2.742 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000101260676 570817425 /nfs/dbraw/zinc/81/74/25/570817425.db2.gz AKVYBWSAHWGHLN-HOTGVXAUSA-N -1 0 386.795 2.855 50 0 GFAARM COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000218288134 570819132 /nfs/dbraw/zinc/81/91/32/570819132.db2.gz RABJTDWCRGLIBA-AWEZNQCLSA-N -1 0 389.335 2.781 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1OC ZINC000101418179 570822711 /nfs/dbraw/zinc/82/27/11/570822711.db2.gz NFPGZLIEMWNEFW-ROUUACIJSA-N -1 0 380.404 2.506 50 0 GFAARM CCCCn1c(=O)c(C2=NN[C@@H](c3ccc4c(c3)OCO4)C2)c([O-])[nH]c1=S ZINC000101495383 570825576 /nfs/dbraw/zinc/82/55/76/570825576.db2.gz XZKDAGIFSHCVQG-LLVKDONJSA-N -1 0 388.449 2.579 50 0 GFAARM COC1CCC(CC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000170590991 570848895 /nfs/dbraw/zinc/84/88/95/570848895.db2.gz HHBWHWKPVWWESX-UHFFFAOYSA-N -1 0 380.388 2.501 50 0 GFAARM COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4)C(O)=C23)c(OC)c1 ZINC000103532591 570885724 /nfs/dbraw/zinc/88/57/24/570885724.db2.gz JMVNJQPOMSFTND-NVXWUHKLSA-N -1 0 386.791 2.650 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000042249283 570887047 /nfs/dbraw/zinc/88/70/47/570887047.db2.gz MEHLXPPTKQVUMW-MRXNPFEDSA-N -1 0 379.409 2.502 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(-c2nnc(-c3cccnc3)[nH]2)cc1 ZINC000071284317 570887404 /nfs/dbraw/zinc/88/74/04/570887404.db2.gz LIKCKADIHDKXNY-GJZGRUSLSA-N -1 0 377.404 2.829 50 0 GFAARM CC1(C)[C@H](C(=O)Nc2ccc(-c3nc(-c4ccccn4)n[nH]3)cc2)[C@@H]1C(=O)[O-] ZINC000071285578 570888380 /nfs/dbraw/zinc/88/83/80/570888380.db2.gz XXBJIQYOJZPTHS-LSDHHAIUSA-N -1 0 377.404 2.829 50 0 GFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(-c2nnc(-c3ccncc3)[nH]2)cc1 ZINC000071286630 570888817 /nfs/dbraw/zinc/88/88/17/570888817.db2.gz KALWYJUPRPMCSS-GJZGRUSLSA-N -1 0 377.404 2.829 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000120932995 570890487 /nfs/dbraw/zinc/89/04/87/570890487.db2.gz JPAAYWNQQPKMPV-UONOGXRCSA-N -1 0 386.351 2.589 50 0 GFAARM CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004899422 570897390 /nfs/dbraw/zinc/89/73/90/570897390.db2.gz IZPLXRUAUHMTGJ-HOTGVXAUSA-N -1 0 396.509 2.650 50 0 GFAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000271894548 570929499 /nfs/dbraw/zinc/92/94/99/570929499.db2.gz GSJHVALXSSVWCI-INIZCTEOSA-N -1 0 378.226 2.572 50 0 GFAARM COc1ccc2c(C)c(CC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc2c1 ZINC000002099317 570941616 /nfs/dbraw/zinc/94/16/16/570941616.db2.gz QNLUSZOWHYRJRU-UHFFFAOYSA-N -1 0 387.432 2.660 50 0 GFAARM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002103783 570943277 /nfs/dbraw/zinc/94/32/77/570943277.db2.gz RTDPOGLPMCJFGU-HIFRSBDPSA-N -1 0 375.421 2.855 50 0 GFAARM CCCC[C@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000002104775 570946699 /nfs/dbraw/zinc/94/66/99/570946699.db2.gz AYHYDNHNIAEVPW-HNNXBMFYSA-N -1 0 375.421 2.808 50 0 GFAARM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000002148091 570972307 /nfs/dbraw/zinc/97/23/07/570972307.db2.gz WRYNFKDCCOOQAP-CZUORRHYSA-N -1 0 375.421 2.937 50 0 GFAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000007728414 571025527 /nfs/dbraw/zinc/02/55/27/571025527.db2.gz JZPPCDJPCMKXPD-CQSZACIVSA-N -1 0 378.425 2.535 50 0 GFAARM CN(C)c1ccc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)cc1 ZINC000095352801 571050530 /nfs/dbraw/zinc/05/05/30/571050530.db2.gz JCOFICDRXKTKSD-HTAPYJJXSA-N -1 0 380.444 2.531 50 0 GFAARM O=C([O-])[C@H](c1ccsc1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000095383935 571069459 /nfs/dbraw/zinc/06/94/59/571069459.db2.gz LIPICXBVOLDXHZ-VIFPVBQESA-N -1 0 378.401 2.566 50 0 GFAARM CN(CCC(=O)[O-])C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000299753898 597008936 /nfs/dbraw/zinc/00/89/36/597008936.db2.gz ZSCZOOIQWQMNAP-XJKSGUPXSA-N -1 0 386.370 2.548 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CCO1 ZINC000299749068 599944711 /nfs/dbraw/zinc/94/47/11/599944711.db2.gz JCLFXQKIXNXNRS-AWEZNQCLSA-N -1 0 396.321 2.818 50 0 GFAARM O=C([O-])CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000299745863 600863249 /nfs/dbraw/zinc/86/32/49/600863249.db2.gz SZEFZNAOMMCXEE-UHFFFAOYSA-N -1 0 387.823 2.597 50 0 GFAARM O=S(=O)([N-]c1ccc(Cn2cncn2)cc1)c1ccccc1Br ZINC000031776519 654598572 /nfs/dbraw/zinc/59/85/72/654598572.db2.gz PDTNVUIINNNACF-UHFFFAOYSA-N -1 0 393.266 2.890 50 0 GFAARM CC(=CC(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1)c1cccc(Cl)c1 ZINC000253426399 655435318 /nfs/dbraw/zinc/43/53/18/655435318.db2.gz ZSSBHQSNEQDUGN-YFHOEESVSA-N -1 0 376.825 2.520 50 0 GFAARM O=C([O-])[C@@]12CN(C(=O)c3cc4ncccn4n3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000426419999 231217411 /nfs/dbraw/zinc/21/74/11/231217411.db2.gz MDUVGZPSJXXEFD-HOIFWPIMSA-N -1 0 390.443 2.840 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cc2)c(C)c1CCC(=O)[O-] ZINC000299746647 222782581 /nfs/dbraw/zinc/78/25/81/222782581.db2.gz YVXKKGSKINHTRP-VQTJNVASSA-N -1 0 397.475 2.900 50 0 GFAARM CC(C)S(=O)(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000299388311 222782637 /nfs/dbraw/zinc/78/26/37/222782637.db2.gz ZHGFCSFVZRVFJJ-PVAVHDDUSA-N -1 0 379.478 2.727 50 0 GFAARM CCOc1ccc(C[C@H](CNC(=O)c2ncoc2[C@@H]2CCCO2)C(=O)[O-])cc1 ZINC000299753729 222784464 /nfs/dbraw/zinc/78/44/64/222784464.db2.gz ZDQFHPQUBRKIPF-ZBFHGGJFSA-N -1 0 388.420 2.598 50 0 GFAARM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2cccc(F)c2C)cc1OC ZINC000001428389 212243339 /nfs/dbraw/zinc/24/33/39/212243339.db2.gz YGVRKFZMWNJMAO-UHFFFAOYSA-N -1 0 383.397 2.739 50 0 GFAARM COc1cc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000001159310 212224163 /nfs/dbraw/zinc/22/41/63/212224163.db2.gz XURBQSRZOTYJCC-UHFFFAOYSA-N -1 0 390.417 2.537 50 0 GFAARM O=C([O-])c1ccccc1C(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000001048374 212209791 /nfs/dbraw/zinc/20/97/91/212209791.db2.gz YRARFYQVPMELPW-UHFFFAOYSA-N -1 0 394.353 2.592 50 0 GFAARM CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000000754795 212180006 /nfs/dbraw/zinc/18/00/06/212180006.db2.gz QHHBTRNZFJQIHP-UHFFFAOYSA-N -1 0 376.434 2.668 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2COc3ccccc3C2)cc1OC ZINC000013257269 212097600 /nfs/dbraw/zinc/09/76/00/212097600.db2.gz WFVOYHYASFCENQ-CVEARBPZSA-N -1 0 385.416 2.587 50 0 GFAARM C=CC(=O)N[C@@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000005725739 220894621 /nfs/dbraw/zinc/89/46/21/220894621.db2.gz PQSKRDCYDLWOAX-NSHDSACASA-N -1 0 396.683 2.670 50 0 GFAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000006316210 220929131 /nfs/dbraw/zinc/92/91/31/220929131.db2.gz MUYQSRUUONNLBA-UHFFFAOYSA-N -1 0 390.461 2.804 50 0 GFAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(N)=O)cc1 ZINC000008606695 221045525 /nfs/dbraw/zinc/04/55/25/221045525.db2.gz NZZFYNLFMYJPIN-UHFFFAOYSA-N -1 0 387.486 2.795 50 0 GFAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cs1 ZINC000008991013 221066262 /nfs/dbraw/zinc/06/62/62/221066262.db2.gz UBNMJJFRAJXTJS-UHFFFAOYSA-N -1 0 395.384 2.594 50 0 GFAARM Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2cccc(F)c2)c(C)n1C ZINC000009684705 221089069 /nfs/dbraw/zinc/08/90/69/221089069.db2.gz WKOORVNGVRWCFC-UHFFFAOYSA-N -1 0 379.457 2.818 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000011866801 221133396 /nfs/dbraw/zinc/13/33/96/221133396.db2.gz YSRBTLZFGKPIHV-PGQWDYDZSA-N -1 0 375.421 2.793 50 0 GFAARM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000012508052 221200565 /nfs/dbraw/zinc/20/05/65/221200565.db2.gz LGBHTQHEWBOOTB-UHFFFAOYSA-N -1 0 396.472 2.809 50 0 GFAARM CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)c1C ZINC000012521002 221201588 /nfs/dbraw/zinc/20/15/88/221201588.db2.gz AAYAZOBGEUGPDZ-UHFFFAOYSA-N -1 0 382.463 2.992 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C ZINC000012556986 221207072 /nfs/dbraw/zinc/20/70/72/221207072.db2.gz FGDYNNUNQZTWSA-UHFFFAOYSA-N -1 0 388.445 2.695 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)N3CCCCC3)cs2)cc1 ZINC000012628169 221215706 /nfs/dbraw/zinc/21/57/06/221215706.db2.gz WKPWYDQRILCKIG-UHFFFAOYSA-N -1 0 381.479 2.579 50 0 GFAARM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccncc1 ZINC000012857833 221238234 /nfs/dbraw/zinc/23/82/34/221238234.db2.gz YFZGPYOUHVDLBH-UHFFFAOYSA-N -1 0 383.433 2.789 50 0 GFAARM COc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc(Cl)c1OC ZINC000012944969 221249203 /nfs/dbraw/zinc/24/92/03/221249203.db2.gz SQZWGUPJXYUCSU-UHFFFAOYSA-N -1 0 393.852 2.927 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)c2ccccc2O1 ZINC000013436770 221268159 /nfs/dbraw/zinc/26/81/59/221268159.db2.gz IIOHTCSZJKKTEA-GOSISDBHSA-N -1 0 380.400 2.696 50 0 GFAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccccc2)n1)N1CCCCC1 ZINC000016848375 221372209 /nfs/dbraw/zinc/37/22/09/221372209.db2.gz OHSSPJAQXRNFJT-UHFFFAOYSA-N -1 0 379.507 2.889 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1C ZINC000006912271 136195233 /nfs/dbraw/zinc/19/52/33/136195233.db2.gz PZSGLASIXSIXIO-UHFFFAOYSA-N -1 0 390.461 2.639 50 0 GFAARM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CCCc2cc(F)cc(F)c21 ZINC000032595700 221724700 /nfs/dbraw/zinc/72/47/00/221724700.db2.gz RDEAOMKFBUDPQU-UHFFFAOYSA-N -1 0 383.372 2.819 50 0 GFAARM Cc1ncsc1C(=O)NC1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000051464296 222006272 /nfs/dbraw/zinc/00/62/72/222006272.db2.gz YQVOGTJJZQANSJ-UHFFFAOYSA-N -1 0 379.869 2.845 50 0 GFAARM CC(C)N(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055227179 222017299 /nfs/dbraw/zinc/01/72/99/222017299.db2.gz WAWHUBWJTCMGNQ-KRWDZBQOSA-N -1 0 384.432 2.874 50 0 GFAARM COc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)c1 ZINC000065194055 222108666 /nfs/dbraw/zinc/10/86/66/222108666.db2.gz KSGMNBOONCXTST-UHFFFAOYSA-N -1 0 376.438 2.810 50 0 GFAARM Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000058223263 222045423 /nfs/dbraw/zinc/04/54/23/222045423.db2.gz XVBNVTUTYGGMCQ-LBPRGKRZSA-N -1 0 375.375 2.865 50 0 GFAARM COC(=O)c1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000059120834 222055402 /nfs/dbraw/zinc/05/54/02/222055402.db2.gz SDHSLQIARBBOHY-UHFFFAOYSA-N -1 0 377.418 2.744 50 0 GFAARM O=C(Nc1cccc(F)c1)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249860 222116123 /nfs/dbraw/zinc/11/61/23/222116123.db2.gz JOTGJZFMRSJHMF-UHFFFAOYSA-N -1 0 378.363 2.870 50 0 GFAARM O=C([O-])c1ccc2c(c1)n(Cc1ncccn1)c(=O)n2Cc1ccc(F)cc1 ZINC000065385727 222126382 /nfs/dbraw/zinc/12/63/82/222126382.db2.gz MPMHWJBTGSIERQ-UHFFFAOYSA-N -1 0 378.363 2.527 50 0 GFAARM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)C[C@H](c1ccco1)c1ccccc1)C2 ZINC000067675669 222153447 /nfs/dbraw/zinc/15/34/47/222153447.db2.gz UEEFQECIYWJYIT-HNNXBMFYSA-N -1 0 379.416 2.818 50 0 GFAARM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)cc(S(=O)(=O)N2CCCC2)c1 ZINC000072154710 222213509 /nfs/dbraw/zinc/21/35/09/222213509.db2.gz AGTFWMOUGRKNHX-UHFFFAOYSA-N -1 0 375.402 2.565 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000072401655 222253021 /nfs/dbraw/zinc/25/30/21/222253021.db2.gz QPTMNWVZHWZZGR-UHFFFAOYSA-N -1 0 392.202 2.979 50 0 GFAARM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000098055480 222452459 /nfs/dbraw/zinc/45/24/59/222452459.db2.gz RFYJYNWQULMBIV-ZRDIBKRKSA-N -1 0 377.393 2.505 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)C[C@H]1CCCO1 ZINC000237953324 534527801 /nfs/dbraw/zinc/52/78/01/534527801.db2.gz GAAUVGANZHICQS-DOMZBBRYSA-N -1 0 395.253 2.611 50 0 GFAARM O=C([O-])c1cc(C(=O)N2CCO[C@H](c3ccccc3F)C2)n(-c2ccccc2)n1 ZINC000237981345 534542985 /nfs/dbraw/zinc/54/29/85/534542985.db2.gz CLTKLCFPEVPKBB-IBGZPJMESA-N -1 0 395.390 2.923 50 0 GFAARM Cc1ccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)cc1 ZINC000004853610 551094971 /nfs/dbraw/zinc/09/49/71/551094971.db2.gz FOBWMZKHMXMXGE-UHFFFAOYSA-N -1 0 379.438 2.976 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(C)(=O)=O)CCC3)s1 ZINC000005136875 551096615 /nfs/dbraw/zinc/09/66/15/551096615.db2.gz YDFOKTRGLIKGFE-UHFFFAOYSA-N -1 0 386.520 2.570 50 0 GFAARM CSCC[C@H](NC(=O)Cn1ccc2c1cccc2Br)C(=O)[O-] ZINC000040310018 551134565 /nfs/dbraw/zinc/13/45/65/551134565.db2.gz AYBCTIZFXYEMCW-LBPRGKRZSA-N -1 0 385.283 2.726 50 0 GFAARM COc1cccc(-c2nsc([N-]S(=O)(=O)c3cn(C(C)C)cn3)n2)c1 ZINC000129367114 551356311 /nfs/dbraw/zinc/35/63/11/551356311.db2.gz JTJAMMDAQTUXDK-UHFFFAOYSA-N -1 0 379.467 2.792 50 0 GFAARM O=S(=O)([N-]c1nc2ncccn2n1)c1c(Cl)cccc1C(F)(F)F ZINC000225408103 553058779 /nfs/dbraw/zinc/05/87/79/553058779.db2.gz UMVHISGKTLBDNH-UHFFFAOYSA-N -1 0 377.735 2.597 50 0 GFAARM Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])cnn1-c1ccc(Br)cc1 ZINC000237755537 553081702 /nfs/dbraw/zinc/08/17/02/553081702.db2.gz PEQDZBKWBBYYBS-AWEZNQCLSA-N -1 0 378.226 2.632 50 0 GFAARM O=C([O-])CN(C(=O)CCc1ccc(Br)cc1F)C1CCOCC1 ZINC000238097121 553086267 /nfs/dbraw/zinc/08/62/67/553086267.db2.gz FGGMZGNIFQYJQZ-UHFFFAOYSA-N -1 0 388.233 2.613 50 0 GFAARM CC(C)n1c2ccc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)cc2nc1C(F)(F)F ZINC000236701322 570256516 /nfs/dbraw/zinc/25/65/16/570256516.db2.gz FDFFAQSNJOEDGD-GFCCVEGCSA-N -1 0 399.369 2.952 50 0 GFAARM O=C([O-])[C@H](CSCCO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567625 570290935 /nfs/dbraw/zinc/29/09/35/570290935.db2.gz VDIVFUTVJUGBOW-SFHVURJKSA-N -1 0 387.457 2.704 50 0 GFAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)N3CCSCC3)c(=O)[n-]2)c1 ZINC000034764501 570333194 /nfs/dbraw/zinc/33/31/94/570333194.db2.gz VFXDYNZBQZCQPR-UHFFFAOYSA-N -1 0 388.493 2.539 50 0 GFAARM COc1ccc(CN(C)c2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)cc1 ZINC000024528894 570385205 /nfs/dbraw/zinc/38/52/05/570385205.db2.gz NWELCRHRCOQSNP-UHFFFAOYSA-N -1 0 384.461 2.922 50 0 GFAARM CN(C[C@@H]1COCCO1)c1ccc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000035510965 570388073 /nfs/dbraw/zinc/38/80/73/570388073.db2.gz DLPJLOQEQDCRDS-CQSZACIVSA-N -1 0 388.395 2.628 50 0 GFAARM O=C([O-])CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000004680569 570392663 /nfs/dbraw/zinc/39/26/63/570392663.db2.gz PADWQPLEIDPROO-UHFFFAOYSA-N -1 0 376.272 2.857 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N(CC(=O)[O-])C3CCOCC3)cc2)c(C)c1Cl ZINC000237656442 570393171 /nfs/dbraw/zinc/39/31/71/570393171.db2.gz XGDGJZPMLOJUOU-UHFFFAOYSA-N -1 0 391.855 2.848 50 0 GFAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000004760120 570404130 /nfs/dbraw/zinc/40/41/30/570404130.db2.gz SLQMUASKUOLVIO-MOPGFXCFSA-N -1 0 396.443 2.600 50 0 in-vitro GFAARM CCN(CC)C(=O)c1sc(NC(=O)/C=C/C(=O)[O-])c(C(=O)OC(C)C)c1C ZINC000004903842 570416831 /nfs/dbraw/zinc/41/68/31/570416831.db2.gz SICPCLVXKDVDOB-CMDGGOBGSA-N -1 0 396.465 2.683 50 0 GFAARM O=C([O-])[C@H]1CCCN1C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000238089788 570423977 /nfs/dbraw/zinc/42/39/77/570423977.db2.gz WIPJXFYFGXUTSK-CYBMUJFWSA-N -1 0 386.408 2.824 50 0 GFAARM CCc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)[O-])c(O)c3c2)cc1 ZINC000005156394 570430445 /nfs/dbraw/zinc/43/04/45/570430445.db2.gz QUVXUQCICSLZHL-UHFFFAOYSA-N -1 0 386.429 2.614 50 0 GFAARM COc1ccc(OC)c(C[C@H](C(=O)Nc2ccc(C)cc2C)c2nnn[n-]2)c1 ZINC000005681722 570451568 /nfs/dbraw/zinc/45/15/68/570451568.db2.gz QFJWGEGBVMJBEE-INIZCTEOSA-N -1 0 381.436 2.799 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000268953182 570494301 /nfs/dbraw/zinc/49/43/01/570494301.db2.gz USAGAUPNLUZWAI-XYPHTWIQSA-N -1 0 383.448 2.902 50 0 GFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c1 ZINC000028813458 570575480 /nfs/dbraw/zinc/57/54/80/570575480.db2.gz DQFAUMCNGGXMIE-UHFFFAOYSA-N -1 0 376.434 2.594 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(OC)c1 ZINC000006779144 570585883 /nfs/dbraw/zinc/58/58/83/570585883.db2.gz AMIUMMMKJWSZNE-SNVBAGLBSA-N -1 0 394.474 2.937 50 0 GFAARM CSCC[C@H](NC(=O)Cn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000036366089 570643966 /nfs/dbraw/zinc/64/39/66/570643966.db2.gz JVSCARBNDJNZRH-LBPRGKRZSA-N -1 0 385.283 2.726 50 0 GFAARM O=C([O-])COc1ccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)cc1 ZINC000032591661 570678960 /nfs/dbraw/zinc/67/89/60/570678960.db2.gz SMZRGYHIQIERND-UHFFFAOYSA-N -1 0 381.837 2.945 50 0 GFAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000006887580 570682148 /nfs/dbraw/zinc/68/21/48/570682148.db2.gz DJLYMKRLIXATDB-UHFFFAOYSA-N -1 0 396.465 2.637 50 0 GFAARM COc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000004383839 570725145 /nfs/dbraw/zinc/72/51/45/570725145.db2.gz TZPKFBKDVUXVNR-VGOFMYFVSA-N -1 0 375.358 2.889 50 0 GFAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2n[nH]cc2C(=O)N(C)C)o1 ZINC000097940835 570743895 /nfs/dbraw/zinc/74/38/95/570743895.db2.gz ASQKINNQSSLBFU-UHFFFAOYSA-N -1 0 392.412 2.620 50 0 GFAARM O=C([O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1 ZINC000004641511 570750111 /nfs/dbraw/zinc/75/01/11/570750111.db2.gz OAIUKQWCFGTWIH-WEVVVXLNSA-N -1 0 380.150 2.626 50 0 GFAARM CC(C)(C)n1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(-c2ccc(F)cc2F)n1 ZINC000236775791 570811776 /nfs/dbraw/zinc/81/17/76/570811776.db2.gz FDZVCVJWUDMGHR-HNNXBMFYSA-N -1 0 393.390 2.509 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1 ZINC000101260386 570817663 /nfs/dbraw/zinc/81/76/63/570817663.db2.gz XYLVGSUPRTWEDO-SJORKVTESA-N -1 0 384.367 2.649 50 0 GFAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1 ZINC000101418288 570822776 /nfs/dbraw/zinc/82/27/76/570822776.db2.gz HSAPJPYSNJFLGZ-RBUKOAKNSA-N -1 0 394.431 2.760 50 0 GFAARM O=c1nc2n(c([O-])c1[C@H]1NCCc3c4cc(Cl)ccc4[nH]c31)CCCS2 ZINC000102709383 570857777 /nfs/dbraw/zinc/85/77/77/570857777.db2.gz LAMXUDKHVPXHAY-OAHLLOKOSA-N -1 0 388.880 2.815 50 0 GFAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000004713543 570858862 /nfs/dbraw/zinc/85/88/62/570858862.db2.gz GUMVNQBHCHHERL-UHFFFAOYSA-N -1 0 382.397 2.993 50 0 GFAARM O=C1N[C@H](c2ccccc2Cl)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000110549518 570939715 /nfs/dbraw/zinc/93/97/15/570939715.db2.gz FVUGRJYVDVXNIE-WOSRLPQWSA-N -1 0 399.756 2.839 50 0 GFAARM C[C@H](C(=O)[O-])[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1 ZINC000237634921 570944832 /nfs/dbraw/zinc/94/48/32/570944832.db2.gz OIKRWSKRYDJDAW-WFASDCNBSA-N -1 0 388.855 2.922 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c(Br)c1 ZINC000047328466 570953447 /nfs/dbraw/zinc/95/34/47/570953447.db2.gz XRNAQPGXMGPFJQ-UHFFFAOYSA-N -1 0 394.254 2.534 50 0 GFAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCCC(=O)[O-] ZINC000002124416 570958103 /nfs/dbraw/zinc/95/81/03/570958103.db2.gz HOBOFBGGTHPEDQ-CYBMUJFWSA-N -1 0 381.384 2.818 50 0 GFAARM CCc1ccc(CCNS(=O)(=O)c2ccc(CCNC(=O)OC)s2)cc1 ZINC000252490903 570973679 /nfs/dbraw/zinc/97/36/79/570973679.db2.gz LENRBXLYVURYIY-UHFFFAOYSA-N -1 0 396.534 2.730 50 0 GFAARM Cc1nn(C)c(C)c1C(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002777597 570974690 /nfs/dbraw/zinc/97/46/90/570974690.db2.gz JVEXXQZOINLXRG-VIFPVBQESA-N -1 0 385.493 2.625 50 0 GFAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCCC[C@H]3OC)cc2[n-]c1=S ZINC000170653348 570999609 /nfs/dbraw/zinc/99/96/09/570999609.db2.gz UZPXGKVIPMIQIL-GDBMZVCRSA-N -1 0 375.494 2.783 50 0 GFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c1 ZINC000007726691 571024606 /nfs/dbraw/zinc/02/46/06/571024606.db2.gz KKLYOOPNRFFKDM-UHFFFAOYSA-N -1 0 376.434 2.631 50 0 GFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)c1 ZINC000095354801 571051544 /nfs/dbraw/zinc/05/15/44/571051544.db2.gz ZMBZEOXBKRBYTD-QGZVFWFLSA-N -1 0 380.444 2.972 50 0 GFAARM COc1cccc(OC)c1[C@@H](C(=O)[O-])N1CCN(Cc2cccs2)CC1 ZINC000095362653 571056395 /nfs/dbraw/zinc/05/63/95/571056395.db2.gz BPKDMZUDXZMSDZ-SFHVURJKSA-N -1 0 376.478 2.709 50 0 GFAARM CCOc1ccccc1[C@@H](C(=O)[O-])N1CCN(Cc2csc(C)n2)CC1 ZINC000095387474 571070787 /nfs/dbraw/zinc/07/07/87/571070787.db2.gz AVRTXXRKKWZBBH-SFHVURJKSA-N -1 0 375.494 2.794 50 0 GFAARM O=C([O-])[C@@H]1CCCN1C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000299746467 597494499 /nfs/dbraw/zinc/49/44/99/597494499.db2.gz XPMGIXORAAKNSV-ZDUSSCGKSA-N -1 0 386.408 2.824 50 0 GFAARM O=C([O-])c1cccc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000238204308 598138128 /nfs/dbraw/zinc/13/81/28/598138128.db2.gz JKVZIELFFKDOME-UHFFFAOYSA-N -1 0 384.407 2.693 50 0 GFAARM CCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000002762527 654437836 /nfs/dbraw/zinc/43/78/36/654437836.db2.gz LJTLYQFPMFGXIZ-UHFFFAOYSA-N -1 0 383.861 2.852 50 0 GFAARM COc1ccccc1NC(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000004306499 654443775 /nfs/dbraw/zinc/44/37/75/654443775.db2.gz ZRXPPKGYRRQCLA-UHFFFAOYSA-N -1 0 377.447 2.537 50 0 GFAARM Cc1ccc(C(=O)N[C@H](c2nnc(-c3cccs3)o2)[P@@](=O)([O-])O)cc1 ZINC000041154269 654623400 /nfs/dbraw/zinc/62/34/00/654623400.db2.gz ATUJPFIVCYBDQE-HNNXBMFYSA-N -1 0 379.334 2.713 50 0 GFAARM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccsc1C(N)=O ZINC000079106612 655007031 /nfs/dbraw/zinc/00/70/31/655007031.db2.gz HROVZDLDUCJGKQ-UHFFFAOYSA-N -1 0 375.269 2.719 50 0 GFAARM O=C(Cc1n[n-]c2nc3ccccc3n2c1=O)c1ccc(Br)cc1 ZINC000100366719 655041539 /nfs/dbraw/zinc/04/15/39/655041539.db2.gz MCVZEOIOBMEPOB-UHFFFAOYSA-N -1 0 383.205 2.759 50 0 GFAARM O=C([O-])CC[C@]1(CCC(=O)NCc2cc(Cl)cc(Cl)c2)CCC(=O)N1 ZINC000222461281 222607684 /nfs/dbraw/zinc/60/76/84/222607684.db2.gz XMIPSHLHALPVSL-KRWDZBQOSA-N -1 0 387.263 2.903 50 0 GFAARM O=C([O-])CC[C@@]1(CCC(=O)NCc2cc(Cl)cc(Cl)c2)CCC(=O)N1 ZINC000222461218 222608398 /nfs/dbraw/zinc/60/83/98/222608398.db2.gz XMIPSHLHALPVSL-QGZVFWFLSA-N -1 0 387.263 2.903 50 0 GFAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000001508675 212247920 /nfs/dbraw/zinc/24/79/20/212247920.db2.gz DXJURIOLSSIKLI-UHFFFAOYSA-N -1 0 390.446 2.600 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NC3CCCC3)cs2)cc1 ZINC000009828562 212235096 /nfs/dbraw/zinc/23/50/96/212235096.db2.gz NDDBBTHPBKXMQS-UHFFFAOYSA-N -1 0 379.507 2.854 50 0 GFAARM CCN1c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2CCC1=O ZINC000009828227 212234205 /nfs/dbraw/zinc/23/42/05/212234205.db2.gz KYDFLXBGNHLXTP-UHFFFAOYSA-N -1 0 390.461 2.804 50 0 GFAARM O=C([O-])/C(=C\c1ccco1)NC(=O)c1ccccc1I ZINC000001201094 212228792 /nfs/dbraw/zinc/22/87/92/212228792.db2.gz XLIDALDLTLYEAF-XYOKQWHBSA-N -1 0 383.141 2.740 50 0 GFAARM COc1cccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccc(C)cc2)c1 ZINC000001101514 212216225 /nfs/dbraw/zinc/21/62/25/212216225.db2.gz LVRSUJQMTABWHQ-UHFFFAOYSA-N -1 0 397.456 2.986 50 0 GFAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000800952 212182409 /nfs/dbraw/zinc/18/24/09/212182409.db2.gz WIXHFNOISZHPQM-UHFFFAOYSA-N -1 0 384.417 2.538 50 0 GFAARM CCOc1ccc([N-]S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)cc1 ZINC000000645289 212168936 /nfs/dbraw/zinc/16/89/36/212168936.db2.gz VJZXDAYLNUETLV-UHFFFAOYSA-N -1 0 398.868 2.712 50 0 GFAARM Cc1cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)c2c(C)c(C)c(=O)oc2c1 ZINC000002096585 212145145 /nfs/dbraw/zinc/14/51/45/212145145.db2.gz JJCIEEOIMMODHY-GUYCJALGSA-N -1 0 375.421 2.711 50 0 GFAARM O=S(=O)([N-]C[C@](O)(c1ccoc1)c1cccs1)c1c(F)cccc1F ZINC000253471987 212137204 /nfs/dbraw/zinc/13/72/04/212137204.db2.gz HICFRKOWXMQBOL-INIZCTEOSA-N -1 0 385.413 2.834 50 0 GFAARM O=C([O-])CNC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000002368472 220528296 /nfs/dbraw/zinc/52/82/96/220528296.db2.gz LMZLFMBFJHPFJO-UHFFFAOYSA-N -1 0 393.182 2.608 50 0 GFAARM COc1cc(OC)cc(C(C)(C)OC(=O)N[C@@H](COC(C)(C)C)C(=O)[O-])c1 ZINC000004336686 220707817 /nfs/dbraw/zinc/70/78/17/220707817.db2.gz UCEYAXOXSJXKBH-HNNXBMFYSA-N -1 0 383.441 2.933 50 0 GFAARM COc1ccc(-n2c(CCn3ncc4ccccc4c3=O)n[n-]c2=S)cc1 ZINC000005695541 220893223 /nfs/dbraw/zinc/89/32/23/220893223.db2.gz NCZYRDQTBFCRES-UHFFFAOYSA-N -1 0 379.445 2.891 50 0 GFAARM C[C@H](NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000007784974 221012346 /nfs/dbraw/zinc/01/23/46/221012346.db2.gz ITNJGKHBTRFPFB-NSHDSACASA-N -1 0 385.807 2.626 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCC1 ZINC000009684319 221089147 /nfs/dbraw/zinc/08/91/47/221089147.db2.gz DDMXOFAOIVJILD-UHFFFAOYSA-N -1 0 377.466 2.677 50 0 GFAARM CC(C)[C@H](NS(=O)(=O)c1ccc(Br)c2ccccc21)C(=O)[O-] ZINC000011691680 221121182 /nfs/dbraw/zinc/12/11/82/221121182.db2.gz UPPCUABLISBUCD-AWEZNQCLSA-N -1 0 386.267 2.990 50 0 GFAARM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000012525933 221201674 /nfs/dbraw/zinc/20/16/74/221201674.db2.gz YUIBTMGXLJXNJY-UHFFFAOYSA-N -1 0 388.470 2.802 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1C ZINC000012583386 221210392 /nfs/dbraw/zinc/21/03/92/221210392.db2.gz PSQVCHQYTAFQSW-UHFFFAOYSA-N -1 0 397.474 2.514 50 0 GFAARM O=C1N[C@H](c2ccc(O)cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000012377926 221186689 /nfs/dbraw/zinc/18/66/89/221186689.db2.gz JIAMXIWSZJUDBV-ZOWXZIJZSA-N -1 0 386.351 2.558 50 0 GFAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000012649082 221217287 /nfs/dbraw/zinc/21/72/87/221217287.db2.gz CFNMPRLGUSRVIK-UHFFFAOYSA-N -1 0 398.444 2.911 50 0 GFAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc2c(c1)OCO2 ZINC000013961506 221294429 /nfs/dbraw/zinc/29/44/29/221294429.db2.gz IKPSDVICGRGORB-RDTXWAMCSA-N -1 0 389.429 2.791 50 0 GFAARM CCOC(=O)[C@@H](Sc1nnnn1-c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000015869155 221351061 /nfs/dbraw/zinc/35/10/61/221351061.db2.gz WXTFHOXAMGMETE-HNNXBMFYSA-N -1 0 384.417 2.757 50 0 GFAARM COc1cc(S(=O)(=O)[N-]c2cccc(O)c2)c(OC)cc1Br ZINC000032601907 221724130 /nfs/dbraw/zinc/72/41/30/221724130.db2.gz CRQCBCIKRZBPRT-UHFFFAOYSA-N -1 0 388.239 2.973 50 0 GFAARM O=C(CCc1nnc(-c2ccc(F)c(Cl)c2)[n-]c1=O)NCc1cccnc1 ZINC000034768638 221805625 /nfs/dbraw/zinc/80/56/25/221805625.db2.gz DWRRFQWNURJCBQ-UHFFFAOYSA-N -1 0 387.802 2.681 50 0 GFAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2C1 ZINC000065196146 222110080 /nfs/dbraw/zinc/11/00/80/222110080.db2.gz PABUXHSJKYMAAJ-UHFFFAOYSA-N -1 0 380.491 2.852 50 0 GFAARM O=C(Nc1cnccn1)c1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000058161215 222042649 /nfs/dbraw/zinc/04/26/49/222042649.db2.gz MGMOLQHTFDCKGW-UHFFFAOYSA-N -1 0 390.371 2.808 50 0 GFAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)C2 ZINC000067673532 222153464 /nfs/dbraw/zinc/15/34/64/222153464.db2.gz UAHZNWLVBAMPFA-NSHDSACASA-N -1 0 377.828 2.607 50 0 GFAARM Cc1c(C(=O)[O-])sc2ncnc(NCCc3nc(-c4cccnc4)n[nH]3)c12 ZINC000067817260 222161706 /nfs/dbraw/zinc/16/17/06/222161706.db2.gz QZNUTMBUQHPCFD-UHFFFAOYSA-N -1 0 381.421 2.533 50 0 GFAARM CC(C)C[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)[O-] ZINC000071328845 222181951 /nfs/dbraw/zinc/18/19/51/222181951.db2.gz ACRVWJBJGNXGDC-LJQANCHMSA-N -1 0 393.443 2.679 50 0 GFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cccc3cccnc32)c1 ZINC000072127487 222209507 /nfs/dbraw/zinc/20/95/07/222209507.db2.gz MQXITYMFCNYITJ-UHFFFAOYSA-N -1 0 386.429 2.525 50 0 GFAARM COc1ccccc1-c1nc(CC(=O)N[C@H](CCSC)C(=O)[O-])cs1 ZINC000080356349 222307058 /nfs/dbraw/zinc/30/70/58/222307058.db2.gz WRMCIUVSAHCJCY-CYBMUJFWSA-N -1 0 380.491 2.684 50 0 GFAARM CCNS(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000095945401 222361845 /nfs/dbraw/zinc/36/18/45/222361845.db2.gz VIIJXHBCQMMQTH-UHFFFAOYSA-N -1 0 386.470 2.542 50 0 GFAARM Cc1cccc(=O)n1CCc1nc(CC2CC2)nn1-c1ccccc1C(=O)[O-] ZINC000096149437 222389201 /nfs/dbraw/zinc/38/92/01/222389201.db2.gz ASZRNDVDMYKHLF-UHFFFAOYSA-N -1 0 378.432 2.631 50 0 GFAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)c1cccc(N2Cc3ccccc3C2)c1 ZINC000096152006 222391756 /nfs/dbraw/zinc/39/17/56/222391756.db2.gz OGCZKQDNDWNEQN-FQEVSTJZSA-N -1 0 388.427 2.582 50 0 GFAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000236830827 519482971 /nfs/dbraw/zinc/48/29/71/519482971.db2.gz SZJPSLQMJNLSKZ-WOJBJXKFSA-N -1 0 378.428 2.763 50 0 GFAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146912 534645809 /nfs/dbraw/zinc/64/58/09/534645809.db2.gz FJDLISLMTRJPPZ-CQSZACIVSA-N -1 0 378.425 2.535 50 0 GFAARM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262553786 526907305 /nfs/dbraw/zinc/90/73/05/526907305.db2.gz XSIRWKAUWATUSY-CYBMUJFWSA-N -1 0 396.852 2.610 50 0 GFAARM CCOc1ccccc1N1CCN(C(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])CC1 ZINC000006715184 528737127 /nfs/dbraw/zinc/73/71/27/528737127.db2.gz SLONXHAASRIKPK-MPIRFRCKSA-N -1 0 386.492 2.871 50 0 GFAARM CCc1nc2sc([C@@H](c3cccs3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578162 551118277 /nfs/dbraw/zinc/11/82/77/551118277.db2.gz KHFFLJGIIOONON-CQSZACIVSA-N -1 0 377.539 2.847 50 0 GFAARM CC(C)c1nnc(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)s1 ZINC000031811869 551130870 /nfs/dbraw/zinc/13/08/70/551130870.db2.gz XSNYOPBSFMZFLD-UHFFFAOYSA-N -1 0 397.507 2.895 50 0 GFAARM O=C(NCc1cccnc1-n1cccn1)c1cc(F)cc(Br)c1[O-] ZINC000170606233 551635782 /nfs/dbraw/zinc/63/57/82/551635782.db2.gz OIZLGZIWJSYJIE-UHFFFAOYSA-N -1 0 391.200 2.805 50 0 GFAARM O=C([O-])CC[C@@]1(CCC(=O)NCc2ccc(Cl)c(Cl)c2)CCC(=O)N1 ZINC000218199857 553053469 /nfs/dbraw/zinc/05/34/69/553053469.db2.gz RTKZHQYUBCGTFD-QGZVFWFLSA-N -1 0 387.263 2.903 50 0 GFAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000238055860 553085684 /nfs/dbraw/zinc/08/56/84/553085684.db2.gz WLUXZVWLIYFQAN-CQSZACIVSA-N -1 0 378.226 2.714 50 0 GFAARM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 ZINC000253425303 553151671 /nfs/dbraw/zinc/15/16/71/553151671.db2.gz SDGNONDSXSPGQP-UHFFFAOYSA-N -1 0 375.855 2.558 50 0 GFAARM O=C([O-])[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000263094160 553182157 /nfs/dbraw/zinc/18/21/57/553182157.db2.gz SZGILBBFOWULMO-JTQLQIEISA-N -1 0 379.214 2.573 50 0 GFAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000299743926 563390980 /nfs/dbraw/zinc/39/09/80/563390980.db2.gz QAOSUEOZFRFMND-LLVKDONJSA-N -1 0 380.853 2.851 50 0 GFAARM CCc1nn(C)c(CC)c1S(=O)(=O)N(C)c1cc(Cl)ccc1C(=O)[O-] ZINC000655588857 566069304 /nfs/dbraw/zinc/06/93/04/566069304.db2.gz ICTLBVZKLLVOMF-UHFFFAOYSA-N -1 0 385.873 2.722 50 0 GFAARM CCOC(=O)[C@@H]1CC=C2[C@@H]3CC[C@]4(O)C[C@H](O)CC[C@]4(C(=O)[O-])[C@@H]3CC[C@]21C ZINC000001318483 570260477 /nfs/dbraw/zinc/26/04/77/570260477.db2.gz RIUISGYIXPQHGQ-IZIWQKFHSA-N -1 0 392.492 2.669 50 0 GFAARM CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002473941 570288112 /nfs/dbraw/zinc/28/81/12/570288112.db2.gz SNZSDTRRGFGHBZ-HNNXBMFYSA-N -1 0 398.843 2.604 50 0 GFAARM CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccnc2OC)cc1 ZINC000002472830 570288325 /nfs/dbraw/zinc/28/83/25/570288325.db2.gz MWLPDJRHQJIGOL-UHFFFAOYSA-N -1 0 378.454 2.805 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1 ZINC000265614305 570328125 /nfs/dbraw/zinc/32/81/25/570328125.db2.gz VVONJKITOIPXJF-GOSISDBHSA-N -1 0 384.407 2.894 50 0 GFAARM COc1ccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)cc1 ZINC000034762778 570333102 /nfs/dbraw/zinc/33/31/02/570333102.db2.gz FBDODZYJPDLJAQ-UHFFFAOYSA-N -1 0 392.459 2.934 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N[C@H](C)[C@@H]3CCCO3)cc2)c(C)c1CCC(=O)[O-] ZINC000237346527 570345503 /nfs/dbraw/zinc/34/55/03/570345503.db2.gz ACVVRMGSLVHFKT-KUHUBIRLSA-N -1 0 385.464 2.804 50 0 GFAARM Cc1ccc(C(=O)N2CCc3[nH]c(-c4ccc(C(=O)[O-])cc4)nc3C2)c(O)c1 ZINC000219467930 570363902 /nfs/dbraw/zinc/36/39/02/570363902.db2.gz FDCZMFNQCZNZJJ-UHFFFAOYSA-N -1 0 377.400 2.987 50 0 GFAARM CC(=O)c1cc(I)c([O-])c(I)c1 ZINC000004257805 570364187 /nfs/dbraw/zinc/36/41/87/570364187.db2.gz SNFGLSZQQVJKFA-UHFFFAOYSA-N -1 0 387.942 2.804 50 0 GFAARM CC[C@@H](C)NC(=O)CN(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000024115754 570379155 /nfs/dbraw/zinc/37/91/55/570379155.db2.gz RWBQXCUJOOFDPS-CQSZACIVSA-N -1 0 384.505 2.902 50 0 GFAARM CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CC[C@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000220036134 570380536 /nfs/dbraw/zinc/38/05/36/570380536.db2.gz CWVFJMDBKWZXKB-FQEVSTJZSA-N -1 0 389.427 2.559 50 0 GFAARM C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000237628323 570384990 /nfs/dbraw/zinc/38/49/90/570384990.db2.gz ZHJKUYHYTRQXDN-HOTGVXAUSA-N -1 0 382.460 2.924 50 0 GFAARM C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000237628291 570385057 /nfs/dbraw/zinc/38/50/57/570385057.db2.gz ZHJKUYHYTRQXDN-IYBDPMFKSA-N -1 0 382.460 2.924 50 0 GFAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cn1C ZINC000031668607 570385814 /nfs/dbraw/zinc/38/58/14/570385814.db2.gz NVTLWYYZQUUNPW-UHFFFAOYSA-N -1 0 377.466 2.507 50 0 GFAARM O=C([O-])CC[C@]1(CCC(=O)N2CC=C(c3ccc(F)cc3)CC2)CCC(=O)N1 ZINC000220533936 570388114 /nfs/dbraw/zinc/38/81/14/570388114.db2.gz NGRDABNBRVSJPL-OAQYLSRUSA-N -1 0 388.439 2.735 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000004992497 570391019 /nfs/dbraw/zinc/39/10/19/570391019.db2.gz MWPJGZIMRRIFHU-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(-c2noc(C)n2)c1 ZINC000035538803 570391170 /nfs/dbraw/zinc/39/11/70/570391170.db2.gz ZBFOOQSGVIFGFN-UHFFFAOYSA-N -1 0 375.406 2.863 50 0 GFAARM Cc1cc(=O)c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)nn1-c1ccccc1F ZINC000237834359 570403880 /nfs/dbraw/zinc/40/38/80/570403880.db2.gz VMACGRPJWUFOTK-KMFMINBZSA-N -1 0 399.422 2.538 50 0 GFAARM Cc1nc2c(cc(-c3cccs3)nc2C(=O)[O-])n1[C@H]1CCS(=O)(=O)C1 ZINC000035682606 570413686 /nfs/dbraw/zinc/41/36/86/570413686.db2.gz NTPADBXLVCKHRI-JTQLQIEISA-N -1 0 377.447 2.526 50 0 GFAARM O=C([O-])[C@H]1CCCN1C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000238089882 570424183 /nfs/dbraw/zinc/42/41/83/570424183.db2.gz XPMGIXORAAKNSV-CYBMUJFWSA-N -1 0 386.408 2.824 50 0 GFAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239439254 570430098 /nfs/dbraw/zinc/43/00/98/570430098.db2.gz ZQMYMMLWEHGEMP-GRYCIOLGSA-N -1 0 376.478 2.967 50 0 GFAARM C[C@H]1Cc2cc(S(=O)(=O)[N-]C(=O)CCCc3ccccn3)cc(Cl)c2O1 ZINC000127369080 570457767 /nfs/dbraw/zinc/45/77/67/570457767.db2.gz FNPUZWFPPFQIMJ-LBPRGKRZSA-N -1 0 394.880 2.886 50 0 GFAARM CCOc1cc(C(=O)N[C@@H]2C[C@H](OCC)C23CCC3)ccc1OCC(=O)[O-] ZINC000268939148 570479344 /nfs/dbraw/zinc/47/93/44/570479344.db2.gz IRPYGNMPBMJQTN-SJORKVTESA-N -1 0 377.437 2.626 50 0 GFAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cnn(Cc2cccc(C(F)(F)F)c2)c1 ZINC000002805042 570517606 /nfs/dbraw/zinc/51/76/06/570517606.db2.gz DMFSHGDUNNUPCX-UHFFFAOYSA-N -1 0 399.398 2.793 50 0 GFAARM Cc1cc(C)n(Cc2ccc(C(=O)[N-]n3c(=O)c4ccccc4[nH]c3=S)o2)n1 ZINC000002792281 570518243 /nfs/dbraw/zinc/51/82/43/570518243.db2.gz CWGFNBVBICKDIE-UHFFFAOYSA-N -1 0 395.444 2.524 50 0 GFAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cc2cc(C)n[nH]c2=O)cc1 ZINC000033026755 570518663 /nfs/dbraw/zinc/51/86/63/570518663.db2.gz ZPGJVXUUWYNFPV-UHFFFAOYSA-N -1 0 399.472 2.869 50 0 GFAARM COc1ccc(C(=O)Nc2nccs2)cc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071284280 570524218 /nfs/dbraw/zinc/52/42/18/570524218.db2.gz USGLRNUNCIAPED-STQMWFEESA-N -1 0 389.433 2.699 50 0 GFAARM O=C(NC1CC1)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000002975450 570525077 /nfs/dbraw/zinc/52/50/77/570525077.db2.gz GUWGRGMHVAKZCU-UHFFFAOYSA-N -1 0 395.440 2.728 50 0 GFAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 ZINC000001110179 570534990 /nfs/dbraw/zinc/53/49/90/570534990.db2.gz UMIUPTYUPYTYTA-ZWKOTPCHSA-N -1 0 381.432 2.841 50 0 GFAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000001211410 570535299 /nfs/dbraw/zinc/53/52/99/570535299.db2.gz ZGYADKBYZJTQPG-QGZVFWFLSA-N -1 0 394.383 2.663 50 0 GFAARM COc1ccccc1CNC(C)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000005800587 570535556 /nfs/dbraw/zinc/53/55/56/570535556.db2.gz LLBMXFLEKSNLNJ-XDJHFCHBSA-N -1 0 393.443 2.959 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)cc1Cl ZINC000006822851 570624576 /nfs/dbraw/zinc/62/45/76/570624576.db2.gz GFSNFCBKXZCBDR-UHFFFAOYSA-N -1 0 385.854 2.527 50 0 GFAARM Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000262508410 570676188 /nfs/dbraw/zinc/67/61/88/570676188.db2.gz AOYHVMRDIYZAQU-SFHVURJKSA-N -1 0 387.457 2.658 50 0 GFAARM Cc1ccc(/C=C\C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)o1 ZINC000006373280 570707893 /nfs/dbraw/zinc/70/78/93/570707893.db2.gz HKMZNWQUMSFCOL-YFHOEESVSA-N -1 0 384.417 2.831 50 0 GFAARM O=C(COc1cccc([N-]S(=O)(=O)c2ccccc2F)c1)N1CCCC1 ZINC000032628543 570710117 /nfs/dbraw/zinc/71/01/17/570710117.db2.gz ATRBFTUMMAREFB-UHFFFAOYSA-N -1 0 378.425 2.628 50 0 GFAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000238062518 570799978 /nfs/dbraw/zinc/79/99/78/570799978.db2.gz NZXDWRWPXMJQDB-UHFFFAOYSA-N -1 0 390.439 2.716 50 0 GFAARM CS(=O)(=O)Nc1cccc(C(=O)OCc2nc(-c3cccs3)no2)c1 ZINC000036772379 570811840 /nfs/dbraw/zinc/81/18/40/570811840.db2.gz DBYRKPCXELQUKY-UHFFFAOYSA-N -1 0 379.419 2.527 50 0 GFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1 ZINC000101260526 570817433 /nfs/dbraw/zinc/81/74/33/570817433.db2.gz JMQMQHGWAQCANR-ROUUACIJSA-N -1 0 380.404 2.764 50 0 GFAARM Cc1cccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2cccs2)c1 ZINC000101802282 570835320 /nfs/dbraw/zinc/83/53/20/570835320.db2.gz AKDHXNIPBQUASN-UHFFFAOYSA-N -1 0 379.445 2.943 50 0 GFAARM CCOc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)c1ccco1 ZINC000101803586 570835707 /nfs/dbraw/zinc/83/57/07/570835707.db2.gz XWBFSFBNVPJMEP-UHFFFAOYSA-N -1 0 393.403 2.565 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1 ZINC000101893817 570838245 /nfs/dbraw/zinc/83/82/45/570838245.db2.gz JBWYQKZEZIRFQB-IRXDYDNUSA-N -1 0 388.387 2.538 50 0 GFAARM CN(C)c1cccc(S(=O)(=O)Nc2ccc(OC(F)F)c(C(=O)[O-])c2)c1 ZINC000170616530 570874224 /nfs/dbraw/zinc/87/42/24/570874224.db2.gz RKKSLKBQRKRKNX-UHFFFAOYSA-N -1 0 386.376 2.853 50 0 GFAARM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170626309 570883419 /nfs/dbraw/zinc/88/34/19/570883419.db2.gz QSQFBMGKNOGRNA-UHFFFAOYSA-N -1 0 391.371 2.861 50 0 GFAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1 ZINC000237684932 570944634 /nfs/dbraw/zinc/94/46/34/570944634.db2.gz OIKRWSKRYDJDAW-IUODEOHRSA-N -1 0 388.855 2.922 50 0 GFAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCC(=O)[O-])ccc12 ZINC000002153141 570972978 /nfs/dbraw/zinc/97/29/78/570972978.db2.gz ZZYQVDPDIJIGIT-ZDUSSCGKSA-N -1 0 375.421 2.884 50 0 GFAARM CCC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-] ZINC000002157842 570973821 /nfs/dbraw/zinc/97/38/21/570973821.db2.gz BTCASKWFHPAYAI-IUODEOHRSA-N -1 0 387.432 2.727 50 0 GFAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O ZINC000091951414 571037293 /nfs/dbraw/zinc/03/72/93/571037293.db2.gz QSACEULUEHGISX-ZDUSSCGKSA-N -1 0 396.230 2.769 50 0 GFAARM Cc1cc(Cl)ccc1NC(=O)N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000095365858 571057799 /nfs/dbraw/zinc/05/77/99/571057799.db2.gz DMMMWKXBMOVFNP-CYBMUJFWSA-N -1 0 379.844 2.578 50 0 GFAARM CCOCCn1nc(C)cc1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095366548 571058896 /nfs/dbraw/zinc/05/88/96/571058896.db2.gz XUDCWYFRIISNQK-SFHVURJKSA-N -1 0 385.464 2.946 50 0 GFAARM O=C([O-])c1cccc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000261729357 598137127 /nfs/dbraw/zinc/13/71/27/598137127.db2.gz HBDRALWWDGWYDV-UHFFFAOYSA-N -1 0 380.444 2.738 50 0 GFAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CCO1 ZINC000299749069 599944750 /nfs/dbraw/zinc/94/47/50/599944750.db2.gz JCLFXQKIXNXNRS-CQSZACIVSA-N -1 0 396.321 2.818 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CO[C@H]2CCC[C@H](C)C2)cc1OC ZINC000299741685 600533035 /nfs/dbraw/zinc/53/30/35/600533035.db2.gz ADIJIUFUQBNASN-BPUTZDHNSA-N -1 0 379.453 2.931 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000299741684 600533123 /nfs/dbraw/zinc/53/31/23/600533123.db2.gz ADIJIUFUQBNASN-BMFZPTHFSA-N -1 0 379.453 2.931 50 0 GFAARM CCc1c(C(=O)N2CCC(C(=O)[O-])CC2)nnn1-c1ccc(OC(C)C)cc1 ZINC000299744037 600785105 /nfs/dbraw/zinc/78/51/05/600785105.db2.gz NNHNVCQDKXAMFI-UHFFFAOYSA-N -1 0 386.452 2.554 50 0 GFAARM O=C([O-])CCN(C(=O)COc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000299750398 600964519 /nfs/dbraw/zinc/96/45/19/600964519.db2.gz NJLAOGSOIOOEJF-UHFFFAOYSA-N -1 0 375.343 2.567 50 0 GFAARM Cc1cnc(NC(=O)CCC(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)s1 ZINC000095473712 655029695 /nfs/dbraw/zinc/02/96/95/655029695.db2.gz IMMGTNJMCBKQNH-UHFFFAOYSA-N -1 0 382.467 3.087 50 0 GFAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(OC(F)F)cc2)s1 ZINC000606442777 677674373 /nfs/dbraw/zinc/67/43/73/677674373.db2.gz RKNNFPLZZWBUTJ-YVMONPNESA-N -1 0 388.417 2.880 50 0 GFAARM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000004953894 230838290 /nfs/dbraw/zinc/83/82/90/230838290.db2.gz UDSPVOFLAHLXIR-UHFFFAOYSA-N -1 0 382.825 2.541 50 0 GFAARM O=C(NCc1cc(-c2ccccc2)on1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000089851122 230957668 /nfs/dbraw/zinc/95/76/68/230957668.db2.gz ZXFMAFQRQZHZHJ-UHFFFAOYSA-N -1 0 378.413 2.797 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000299743335 222782752 /nfs/dbraw/zinc/78/27/52/222782752.db2.gz KIDJATWPCHPJHE-IBGZPJMESA-N -1 0 379.391 2.592 50 0 GFAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000001889717 212259332 /nfs/dbraw/zinc/25/93/32/212259332.db2.gz ZCQKTJWLPNNQIX-UHFFFAOYSA-N -1 0 393.440 2.866 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCCC(C)C)cs2)cc1 ZINC000009828561 212235974 /nfs/dbraw/zinc/23/59/74/212235974.db2.gz REDZQJVXQPVPEJ-UHFFFAOYSA-N -1 0 381.523 2.957 50 0 GFAARM COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)COCC(=O)[O-] ZINC000001034309 212206824 /nfs/dbraw/zinc/20/68/24/212206824.db2.gz DVLCABOKAVCKAQ-UHFFFAOYSA-N -1 0 383.809 2.895 50 0 GFAARM COC(=O)c1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662862 212157749 /nfs/dbraw/zinc/15/77/49/212157749.db2.gz JFUJSAYQAKAURW-UHFFFAOYSA-N -1 0 378.384 2.692 50 0 GFAARM COc1cc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)O2)cc(OC)c1OC ZINC000003337356 212145534 /nfs/dbraw/zinc/14/55/34/212145534.db2.gz LMUCMCMOFNTVJV-RIYZIHGNSA-N -1 0 383.356 2.755 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000109621837 212097713 /nfs/dbraw/zinc/09/77/13/212097713.db2.gz QGNCXYLSNKFWOJ-ZDUSSCGKSA-N -1 0 396.281 2.821 50 0 GFAARM O=C([O-])CCCCCNC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000002197907 220509854 /nfs/dbraw/zinc/50/98/54/220509854.db2.gz ZFURKWNCEHRKDT-UHFFFAOYSA-N -1 0 399.491 2.964 50 0 GFAARM CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])sc2c1 ZINC000002503179 220540113 /nfs/dbraw/zinc/54/01/13/220540113.db2.gz SUINWZINFPLMBA-GHMZBOCLSA-N -1 0 382.463 2.529 50 0 GFAARM O=C([O-])C1CCC(CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000004668538 220743853 /nfs/dbraw/zinc/74/38/53/220743853.db2.gz OEXAASQOHMSUSV-UHFFFAOYSA-N -1 0 376.272 2.618 50 0 GFAARM O=C([O-])CCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000004907095 220787883 /nfs/dbraw/zinc/78/78/83/220787883.db2.gz PHIVKXTZGANCGI-NUTLWWKQSA-N -1 0 378.428 2.995 50 0 GFAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)NCCc2c[nH]c3ccccc23)C1=O ZINC000006160102 220923341 /nfs/dbraw/zinc/92/33/41/220923341.db2.gz JXQPEZSIHYKBOY-FBMGVBCBSA-N -1 0 382.464 2.843 50 0 GFAARM COc1ccc2c(C)c(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc2c1 ZINC000006500499 220937737 /nfs/dbraw/zinc/93/77/37/220937737.db2.gz WGKJDQCIWZRJNI-MRXNPFEDSA-N -1 0 375.421 2.658 50 0 GFAARM COc1cc(OC)cc(C2=N/C(=C\c3ccc(OCC(=O)[O-])cc3)C(=O)O2)c1 ZINC000008179923 221029009 /nfs/dbraw/zinc/02/90/09/221029009.db2.gz FYRBLJMDOHAKBK-IDUWFGFVSA-N -1 0 383.356 2.512 50 0 GFAARM CCOc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000008600004 221045484 /nfs/dbraw/zinc/04/54/84/221045484.db2.gz JBXJLUACBQTXDR-UHFFFAOYSA-N -1 0 382.825 2.870 50 0 GFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCC1 ZINC000009684290 221088599 /nfs/dbraw/zinc/08/85/99/221088599.db2.gz GYDLRGFAQSPOIQ-UHFFFAOYSA-N -1 0 391.493 2.985 50 0 GFAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1)O[C@@H](C)C2 ZINC000012556966 221206983 /nfs/dbraw/zinc/20/69/83/221206983.db2.gz QLQHDKPDSDPLBD-LBPRGKRZSA-N -1 0 390.461 2.569 50 0 GFAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(Br)cc2)s1 ZINC000012379803 221186432 /nfs/dbraw/zinc/18/64/32/221186432.db2.gz FFAVCURYBGNMDY-UHFFFAOYSA-N -1 0 376.257 2.665 50 0 GFAARM NC(=O)c1ccc(CSc2nnc(-c3cccs3)n2CCC(=O)[O-])cc1 ZINC000012877194 221240200 /nfs/dbraw/zinc/24/02/00/221240200.db2.gz JARFBOBEPNAGFJ-UHFFFAOYSA-N -1 0 388.474 2.873 50 0 GFAARM Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000013655365 221279715 /nfs/dbraw/zinc/27/97/15/221279715.db2.gz GNUQSESYDKKBOG-HNNXBMFYSA-N -1 0 377.404 2.760 50 0 GFAARM CSc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(=O)N1CCCC1 ZINC000016661464 221367810 /nfs/dbraw/zinc/36/78/10/221367810.db2.gz SSQPAJCVDDTFQM-UHFFFAOYSA-N -1 0 377.491 2.840 50 0 GFAARM O=C([O-])c1ccc(-n2nnnc2SCCC(=O)Nc2ccc(F)cc2)cc1 ZINC000019854203 221459857 /nfs/dbraw/zinc/45/98/57/221459857.db2.gz GWYAGBXJYHOKQZ-UHFFFAOYSA-N -1 0 387.396 2.621 50 0 GFAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccc(OC(F)F)cc2)C1=O ZINC000019878608 221461226 /nfs/dbraw/zinc/46/12/26/221461226.db2.gz NTXUOUQVJJRNGM-LBPRGKRZSA-N -1 0 394.355 2.805 50 0 GFAARM CN(C)c1nc(N2CCCCC2)ncc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000207982712 136201003 /nfs/dbraw/zinc/20/10/03/136201003.db2.gz FBMOIQGXAQLYFC-UHFFFAOYSA-N -1 0 395.916 2.987 50 0 GFAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000024373374 221613338 /nfs/dbraw/zinc/61/33/38/221613338.db2.gz YMFMJSYMODMEJI-UHFFFAOYSA-N -1 0 380.651 2.645 50 0 GFAARM COc1cc(S(=O)(=O)N(C)c2cc(C)ccc2C)cc(C(=O)[O-])c1OC ZINC000055674715 222024452 /nfs/dbraw/zinc/02/44/52/222024452.db2.gz YJAYBNCCMNFTEA-UHFFFAOYSA-N -1 0 379.434 2.844 50 0 GFAARM CCCC(=O)Nc1ccc(N2CCCN(c3ncccn3)CC2)cc1C(=O)[O-] ZINC000064588732 222075480 /nfs/dbraw/zinc/07/54/80/222075480.db2.gz RFRGNEUFZBAKRZ-UHFFFAOYSA-N -1 0 383.452 2.630 50 0 GFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2n(c1)CCN(C(C)C)C2=O ZINC000065254768 222117129 /nfs/dbraw/zinc/11/71/29/222117129.db2.gz VPVUOERLBIMRRB-UHFFFAOYSA-N -1 0 397.884 2.815 50 0 GFAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc2n(c1)CCN(CC(C)C)C2=O ZINC000065254826 222117259 /nfs/dbraw/zinc/11/72/59/222117259.db2.gz PEHAQQFZHMINRA-UHFFFAOYSA-N -1 0 379.457 2.848 50 0 GFAARM Cc1nn(CC(=O)[O-])c2c1[C@@H](c1cc(C)cc(C)c1-n1cccn1)CC(=O)N2 ZINC000065526885 222133539 /nfs/dbraw/zinc/13/35/39/222133539.db2.gz GUKACXAYTSVNGG-CQSZACIVSA-N -1 0 379.420 2.553 50 0 GFAARM O=C([O-])c1cc(I)c(F)c(I)c1 ZINC000071793111 222198448 /nfs/dbraw/zinc/19/84/48/222198448.db2.gz CVHNCPIADQEMFO-UHFFFAOYSA-N -1 0 391.905 2.733 50 0 GFAARM Cn1c(=O)cc(C(=O)N2CC[C@H](c3ccc(C(=O)[O-])cc3)C2)c2ccccc21 ZINC000072169879 222215526 /nfs/dbraw/zinc/21/55/26/222215526.db2.gz AACDDKBNGNMTDA-INIZCTEOSA-N -1 0 376.412 2.866 50 0 GFAARM COc1ccc(-n2ccnc2-c2ccccc2C(=O)[O-])cc1NS(C)(=O)=O ZINC000077356004 222279683 /nfs/dbraw/zinc/27/96/83/222279683.db2.gz MGQALCZNRYPFQT-UHFFFAOYSA-N -1 0 387.417 2.618 50 0 GFAARM COc1ccc(-c2nc(C(=O)N3CCSC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000095970125 222367774 /nfs/dbraw/zinc/36/77/74/222367774.db2.gz NKQXIJNVIIHUJE-GFCCVEGCSA-N -1 0 378.475 2.851 50 0 GFAARM O=C([O-])CN(C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000095989442 222369471 /nfs/dbraw/zinc/36/94/71/222369471.db2.gz SBMPNTFEIKURLZ-UHFFFAOYSA-N -1 0 386.370 2.681 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)s1 ZINC000098054830 222452759 /nfs/dbraw/zinc/45/27/59/222452759.db2.gz DKTAMIRMPSHHPV-ARJAWSKDSA-N -1 0 399.877 2.999 50 0 GFAARM O=C([O-])c1cc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)n(-c2ccccc2)n1 ZINC000237981298 534543646 /nfs/dbraw/zinc/54/36/46/534543646.db2.gz XMLWXBHWDCPZLA-IBGZPJMESA-N -1 0 395.390 2.923 50 0 GFAARM CCCS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000408513208 528819362 /nfs/dbraw/zinc/81/93/62/528819362.db2.gz RYRDFQSNXJQOJO-GOSISDBHSA-N -1 0 387.457 2.522 50 0 GFAARM CCCc1nnc(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)s1 ZINC000031811707 551131047 /nfs/dbraw/zinc/13/10/47/551131047.db2.gz BVGRKQTUMNMIDA-UHFFFAOYSA-N -1 0 397.507 2.724 50 0 GFAARM COc1ccc(S(=O)(=O)N2CCCc3cccc(OC)c32)cc1C(=O)[O-] ZINC000048386374 570249912 /nfs/dbraw/zinc/24/99/12/570249912.db2.gz IRUVTLPPGGJYPO-UHFFFAOYSA-N -1 0 377.418 2.544 50 0 GFAARM Cc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3c(C)cccc3C)c(=O)c1=2 ZINC000100036888 570265468 /nfs/dbraw/zinc/26/54/68/570265468.db2.gz XYMLIGXWGQOEGG-HKUYNNGSSA-N -1 0 391.431 2.544 50 0 GFAARM CCC(NCCc1ccccc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020548256 570267697 /nfs/dbraw/zinc/26/76/97/570267697.db2.gz NVYFGLVKNUNCNX-HNENSFHCSA-N -1 0 377.444 2.761 50 0 GFAARM O=C([O-])COCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002379491 570285030 /nfs/dbraw/zinc/28/50/30/570285030.db2.gz XQPYRJIMPDBGRW-UHFFFAOYSA-N -1 0 385.416 2.643 50 0 GFAARM COCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC000002413010 570286158 /nfs/dbraw/zinc/28/61/58/570286158.db2.gz MNLXGKMHYOCLMH-UHFFFAOYSA-N -1 0 378.479 2.941 50 0 GFAARM CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000015953807 570300459 /nfs/dbraw/zinc/30/04/59/570300459.db2.gz IBCZDZZYWPWXAW-ADLMAVQZSA-N -1 0 389.448 2.967 50 0 GFAARM COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205954067 570340947 /nfs/dbraw/zinc/34/09/47/570340947.db2.gz ICYOUTVQXFMTHK-AWEZNQCLSA-N -1 0 388.807 2.757 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)cc1 ZINC000035378093 570346559 /nfs/dbraw/zinc/34/65/59/570346559.db2.gz YTFAAEQSWSHOOM-UHFFFAOYSA-N -1 0 391.836 2.900 50 0 GFAARM COc1cccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)c1 ZINC000004853641 570348378 /nfs/dbraw/zinc/34/83/78/570348378.db2.gz ZTNHUVKFRQNQOG-UHFFFAOYSA-N -1 0 395.437 2.676 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000004863165 570350577 /nfs/dbraw/zinc/35/05/77/570350577.db2.gz QMSRKXOPQMMKMS-DOTOQJQBSA-N -1 0 397.818 2.637 50 0 GFAARM CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000004863166 570350584 /nfs/dbraw/zinc/35/05/84/570350584.db2.gz QMSRKXOPQMMKMS-WBVHZDCISA-N -1 0 397.818 2.637 50 0 GFAARM CCCCN(C)c1ncc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000035397247 570368811 /nfs/dbraw/zinc/36/88/11/570368811.db2.gz OKYAUDOEUTYXBR-UHFFFAOYSA-N -1 0 381.429 2.956 50 0 GFAARM C[C@@H](C(=O)NCCc1nc(C(=O)[O-])cs1)N1C(=O)c2cccc3cccc1c23 ZINC000219932378 570378507 /nfs/dbraw/zinc/37/85/07/570378507.db2.gz SSUQWLHQAWOLDI-NSHDSACASA-N -1 0 395.440 2.702 50 0 GFAARM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237669472 570388969 /nfs/dbraw/zinc/38/89/69/570388969.db2.gz ZKKOKBRYVANBAC-OAHLLOKOSA-N -1 0 391.855 2.517 50 0 GFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000238026076 570420815 /nfs/dbraw/zinc/42/08/15/570420815.db2.gz XGYOKSGNVWCOIR-QFBILLFUSA-N -1 0 378.428 2.616 50 0 GFAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239439255 570430121 /nfs/dbraw/zinc/43/01/21/570430121.db2.gz ZQMYMMLWEHGEMP-IJLUTSLNSA-N -1 0 376.478 2.967 50 0 GFAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CCO1 ZINC000238195737 570430570 /nfs/dbraw/zinc/43/05/70/570430570.db2.gz HQYWCSSVYSQOCK-GFCCVEGCSA-N -1 0 378.812 2.630 50 0 GFAARM C[C@@H]1Oc2ccccc2N(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)C1=O ZINC000268899941 570451452 /nfs/dbraw/zinc/45/14/52/570451452.db2.gz SGOIQINCQRITGG-HOCLYGCPSA-N -1 0 382.416 2.523 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCOc3ccccc32)cc1OC ZINC000268936038 570477579 /nfs/dbraw/zinc/47/75/79/570477579.db2.gz HSVYPFNDLSKBNE-CVEARBPZSA-N -1 0 385.416 2.902 50 0 GFAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1)[C@@H]1CCCO1 ZINC000030531922 570490411 /nfs/dbraw/zinc/49/04/11/570490411.db2.gz FQDICZRODPMDLX-HNNXBMFYSA-N -1 0 382.388 2.883 50 0 GFAARM O=C([O-])[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OCc1ccccc1 ZINC000031720031 570505718 /nfs/dbraw/zinc/50/57/18/570505718.db2.gz RSDRIMXAOFFQMC-IBGZPJMESA-N -1 0 379.416 2.854 50 0 GFAARM CCn1cc(Cl)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCC4)n1 ZINC000002777594 570515798 /nfs/dbraw/zinc/51/57/98/570515798.db2.gz AJYDJKFKTNUEPE-UHFFFAOYSA-N -1 0 377.857 2.509 50 0 GFAARM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)NCCC(=O)[O-])CC2 ZINC000006760505 570575110 /nfs/dbraw/zinc/57/51/10/570575110.db2.gz FZIOSXBODCLKPF-HXUWFJFHSA-N -1 0 384.432 2.836 50 0 GFAARM O=C([O-])Cn1c2c3c(sc2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCCC3 ZINC000006764466 570575966 /nfs/dbraw/zinc/57/59/66/570575966.db2.gz TZSNIQJZJCMQLQ-UHFFFAOYSA-N -1 0 390.848 2.831 50 0 GFAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(OCC)ccc2OCC)cn1C ZINC000006777997 570584439 /nfs/dbraw/zinc/58/44/39/570584439.db2.gz KYWFITKRPWPVQA-UHFFFAOYSA-N -1 0 396.465 2.800 50 0 GFAARM Cc1ccc(C)c(C(=O)CCC(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000119303152 570620362 /nfs/dbraw/zinc/62/03/62/570620362.db2.gz CCKPFPDQJQEAQN-UHFFFAOYSA-N -1 0 380.853 2.820 50 0 GFAARM O=C([O-])CN1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S ZINC000002119611 570643535 /nfs/dbraw/zinc/64/35/35/570643535.db2.gz DHSMBGJDULABKJ-WTKPLQERSA-N -1 0 376.228 2.874 50 0 GFAARM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000033048498 570699650 /nfs/dbraw/zinc/69/96/50/570699650.db2.gz WJKMOMKNFKAVIL-UHFFFAOYSA-N -1 0 377.466 2.911 50 0 GFAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC000000945245 570734289 /nfs/dbraw/zinc/73/42/89/570734289.db2.gz AQQSKAPNJWFLNT-RDTXWAMCSA-N -1 0 395.411 2.681 50 0 GFAARM CCN1CCCn2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)cc2C1=O ZINC000065258786 570760870 /nfs/dbraw/zinc/76/08/70/570760870.db2.gz DUOZAAHYZQLPNP-UHFFFAOYSA-N -1 0 397.884 2.817 50 0 GFAARM CCN1CCCn2cc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2C1=O ZINC000065258762 570760887 /nfs/dbraw/zinc/76/08/87/570760887.db2.gz RFJDYBGYNNBRNX-UHFFFAOYSA-N -1 0 397.884 2.817 50 0 GFAARM CCn1ncc([C@H]2CC(c3c([O-])[nH]c(=O)sc3=O)=Nc3ccccc3N2)c1C ZINC000036621397 570765287 /nfs/dbraw/zinc/76/52/87/570765287.db2.gz IUEHLAOWUIEYTA-CQSZACIVSA-N -1 0 397.460 2.705 50 0 GFAARM Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)[O-])C2 ZINC000170044533 570792698 /nfs/dbraw/zinc/79/26/98/570792698.db2.gz XBPXMDYPJVIXSF-QUCCMNQESA-N -1 0 378.428 2.900 50 0 GFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c3=4)n2)c1 ZINC000101277471 570818348 /nfs/dbraw/zinc/81/83/48/570818348.db2.gz ZEPNXIUTZSOGPU-DLBZAZTESA-N -1 0 388.387 2.538 50 0 GFAARM CCOc1cc2c(cc1CNS(=O)(=O)c1ccsc1C(=O)[O-])O[C@@H](C)C2 ZINC000032885529 570884961 /nfs/dbraw/zinc/88/49/61/570884961.db2.gz GFOALSJKLMJBRH-JTQLQIEISA-N -1 0 397.474 2.647 50 0 GFAARM COc1ccc(C(=O)Nc2nccs2)cc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071284278 570887504 /nfs/dbraw/zinc/88/75/04/570887504.db2.gz USGLRNUNCIAPED-QWHCGFSZSA-N -1 0 389.433 2.699 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000101387101 570901115 /nfs/dbraw/zinc/90/11/15/570901115.db2.gz WVJALADLVGMNOZ-IRXDYDNUSA-N -1 0 397.822 2.580 50 0 GFAARM Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000237837250 570944822 /nfs/dbraw/zinc/94/48/22/570944822.db2.gz QLZZTNWWCNVWNJ-UHFFFAOYSA-N -1 0 385.464 2.514 50 0 GFAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1n[nH]c3ccccc31)CC2 ZINC000294163195 570958353 /nfs/dbraw/zinc/95/83/53/570958353.db2.gz BIKHDLKTKVMQST-MRXNPFEDSA-N -1 0 395.415 2.794 50 0 GFAARM CCCC[C@H](NC(=O)COc1ccc2c(CCC)cc(=O)oc2c1)C(=O)[O-] ZINC000002147695 570971529 /nfs/dbraw/zinc/97/15/29/570971529.db2.gz AFYRLTWTNUGFLK-INIZCTEOSA-N -1 0 375.421 2.884 50 0 GFAARM CC(C)c1nnc(CCC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)o1 ZINC000170649626 570984694 /nfs/dbraw/zinc/98/46/94/570984694.db2.gz UMMOQHFCJAGUMQ-UHFFFAOYSA-N -1 0 375.450 2.559 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000108358529 570987018 /nfs/dbraw/zinc/98/70/18/570987018.db2.gz BRKODXKTUZABBD-IACUBPJLSA-N -1 0 375.812 2.817 50 0 GFAARM O=C([O-])Cc1csc(NC(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)n1 ZINC000170671095 571007585 /nfs/dbraw/zinc/00/75/85/571007585.db2.gz CPZDFMSJVSKVLC-UHFFFAOYSA-N -1 0 397.338 2.622 50 0 GFAARM COCc1nc2sc(C(=O)NCCCCCCC(=O)[O-])c(C)c2c(OC)n1 ZINC000170672306 571008094 /nfs/dbraw/zinc/00/80/94/571008094.db2.gz ZGGAUWYNRBSNQS-UHFFFAOYSA-N -1 0 395.481 2.920 50 0 GFAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2cccs2)cc1 ZINC000046020737 571012556 /nfs/dbraw/zinc/01/25/56/571012556.db2.gz CREKSCDBBJZFBC-UHFFFAOYSA-N -1 0 395.444 2.643 50 0 GFAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000007728419 571025637 /nfs/dbraw/zinc/02/56/37/571025637.db2.gz CSJGRNPBVXDFJQ-CYBMUJFWSA-N -1 0 378.425 2.535 50 0 GFAARM COc1ccc(-c2nc(CC(=O)N3CCC(C(=O)[O-])CC3)cs2)cc1OC ZINC000032102975 596934701 /nfs/dbraw/zinc/93/47/01/596934701.db2.gz OKLGSZBWNKSAJU-UHFFFAOYSA-N -1 0 390.461 2.693 50 0 GFAARM Cc1cccc(C[C@H](CNC(=O)c2cc(N3CCCC3=O)ccc2F)C(=O)[O-])c1 ZINC000237699348 600906011 /nfs/dbraw/zinc/90/60/11/600906011.db2.gz NDFQNURRKGWQDX-MRXNPFEDSA-N -1 0 398.434 2.934 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)s1 ZINC000042316629 654638008 /nfs/dbraw/zinc/63/80/08/654638008.db2.gz BLOUVFZZPHPNLC-ONEGZZNKSA-N -1 0 385.850 2.957 50 0 GFAARM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1S(=O)(=O)N1CCCC1 ZINC000001059627 212210917 /nfs/dbraw/zinc/21/09/17/212210917.db2.gz NVJOEHKXUWSFDM-UHFFFAOYSA-N -1 0 388.445 2.730 50 0 GFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1 ZINC000000785717 212181374 /nfs/dbraw/zinc/18/13/74/212181374.db2.gz TWGOLQIDHGWWNS-UHFFFAOYSA-N -1 0 387.461 2.682 50 0 GFAARM O=C([O-])CSc1nnc(COc2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000000702816 212175658 /nfs/dbraw/zinc/17/56/58/212175658.db2.gz KACVMPMLMMBIPK-UHFFFAOYSA-N -1 0 385.401 2.752 50 0 GFAARM COC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)cc1 ZINC000100613783 212157734 /nfs/dbraw/zinc/15/77/34/212157734.db2.gz BASZDTQMIDQKEX-UHFFFAOYSA-N -1 0 378.384 2.692 50 0 GFAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000096742826 212155653 /nfs/dbraw/zinc/15/56/53/212155653.db2.gz ZQFQKMXAUVNBJX-WTKPLQERSA-N -1 0 375.402 2.747 50 0 GFAARM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002103784 220502321 /nfs/dbraw/zinc/50/23/21/220502321.db2.gz RTDPOGLPMCJFGU-UKRRQHHQSA-N -1 0 375.421 2.855 50 0 GFAARM CCOc1ccc(N2C(=O)C(=Cc3ccccc3OCC(=O)[O-])NC2=S)cc1 ZINC000002168006 220507204 /nfs/dbraw/zinc/50/72/04/220507204.db2.gz BBCFTLQEDNEFOD-WJDWOHSUSA-N -1 0 398.440 2.811 50 0 GFAARM CC(C)[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000002949822 220586818 /nfs/dbraw/zinc/58/68/18/220586818.db2.gz IEWONSUFAFFPGT-SCOADAFUSA-N -1 0 390.823 2.929 50 0 GFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003886295 220669295 /nfs/dbraw/zinc/66/92/95/220669295.db2.gz IEFVFKOHASQYES-INIZCTEOSA-N -1 0 378.837 2.796 50 0 GFAARM O=C([O-])[C@@H]1CCCN1C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004899605 220786882 /nfs/dbraw/zinc/78/68/82/220786882.db2.gz HPTFPWMPQFBSHP-IBGZPJMESA-N -1 0 394.427 2.601 50 0 GFAARM CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)[O-])C1=O ZINC000006650489 220947704 /nfs/dbraw/zinc/94/77/04/220947704.db2.gz CFBBRXZOJKQEPO-NTEUORMPSA-N -1 0 393.417 2.530 50 0 GFAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000008270920 221033816 /nfs/dbraw/zinc/03/38/16/221033816.db2.gz HSJLDLJQCZJUGK-OAHLLOKOSA-N -1 0 397.399 2.937 50 0 GFAARM CC(Nc1cccc(N(C)C)c1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000008974519 221066534 /nfs/dbraw/zinc/06/65/34/221066534.db2.gz YSEOSMMNHLCLCP-NBVRZTHBSA-N -1 0 378.432 2.717 50 0 GFAARM CCN1CCOc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C1=O ZINC000008961600 221065473 /nfs/dbraw/zinc/06/54/73/221065473.db2.gz GUAYARBUTLHWHV-UHFFFAOYSA-N -1 0 382.388 2.620 50 0 GFAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)NCCC1=CCCCC1 ZINC000009530223 221084264 /nfs/dbraw/zinc/08/42/64/221084264.db2.gz DTFKTXMRANHNSC-UHFFFAOYSA-N -1 0 379.507 2.897 50 0 GFAARM COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000012516284 221199619 /nfs/dbraw/zinc/19/96/19/221199619.db2.gz DANIZDGFBDLGHZ-UHFFFAOYSA-N -1 0 383.473 2.817 50 0 GFAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000012526425 221200838 /nfs/dbraw/zinc/20/08/38/221200838.db2.gz MGPDXFKBRIOGHG-OAHLLOKOSA-N -1 0 392.452 2.844 50 0 GFAARM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1Cl ZINC000012584655 221210298 /nfs/dbraw/zinc/21/02/98/221210298.db2.gz UARVHHQYFNJYRL-UHFFFAOYSA-N -1 0 386.882 2.582 50 0 GFAARM O=C([O-])C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 ZINC000012806041 221234382 /nfs/dbraw/zinc/23/43/82/221234382.db2.gz XVGJSHWOMCBPLD-ZDUSSCGKSA-N -1 0 392.502 2.994 50 0 GFAARM O=C([O-])c1sccc1S(=O)(=O)NCCCc1nc2ccccc2s1 ZINC000012916273 221246239 /nfs/dbraw/zinc/24/62/39/221246239.db2.gz YFIPLDJVDKNABO-UHFFFAOYSA-N -1 0 382.488 2.967 50 0 GFAARM COc1ccc(OC)c(-n2cc(C(=O)c3ccccc3[O-])cc(C(C)=O)c2=O)c1 ZINC000012986786 221253206 /nfs/dbraw/zinc/25/32/06/221253206.db2.gz JRISWGQSTUGRHL-UHFFFAOYSA-N -1 0 393.395 2.994 50 0 GFAARM O=C([O-])c1csc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)c1 ZINC000013278733 221264292 /nfs/dbraw/zinc/26/42/92/221264292.db2.gz MGDMQBYPQIRBBW-UHFFFAOYSA-N -1 0 375.811 2.672 50 0 GFAARM C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000013468249 221269328 /nfs/dbraw/zinc/26/93/28/221269328.db2.gz FBCCBTGBPOTPSX-YCRPNKLZSA-N -1 0 378.432 2.877 50 0 GFAARM COc1ccc([O-])c(C(=O)c2cc(C(C)=O)c(=O)n(-c3ccccc3OC)c2)c1 ZINC000014238551 221306094 /nfs/dbraw/zinc/30/60/94/221306094.db2.gz HFLVCFPKZWQMDN-UHFFFAOYSA-N -1 0 393.395 2.994 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000016120878 221357629 /nfs/dbraw/zinc/35/76/29/221357629.db2.gz CLUSTDPVNXFKSP-UHFFFAOYSA-N -1 0 389.227 2.626 50 0 GFAARM COc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccccc2)cc1 ZINC000015987794 221354028 /nfs/dbraw/zinc/35/40/28/221354028.db2.gz QQPQCAVPXKASKQ-UHFFFAOYSA-N -1 0 383.429 2.678 50 0 GFAARM CCc1c(C)sc(NC(=O)COCC(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000017079639 221378296 /nfs/dbraw/zinc/37/82/96/221378296.db2.gz BNFVDAJHESFEIB-UHFFFAOYSA-N -1 0 390.461 2.589 50 0 GFAARM CSCC[C@@H](NC(=O)N(C)Cc1cnn(-c2cccc(C)c2)c1)C(=O)[O-] ZINC000426489729 533607989 /nfs/dbraw/zinc/60/79/89/533607989.db2.gz XQHRFPSLKSXKFT-MRXNPFEDSA-N -1 0 376.482 2.528 50 0 GFAARM O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(Br)c([O-])c1 ZINC000095978148 136182938 /nfs/dbraw/zinc/18/29/38/136182938.db2.gz RKOMNGZWTJMDNV-UHFFFAOYSA-N -1 0 378.226 2.639 50 0 GFAARM COc1cc(N2CC[C@H](c3ccc(F)cc3)[C@H]([N-]C(=O)C(F)(F)F)C2)ncn1 ZINC000129221108 136192749 /nfs/dbraw/zinc/19/27/49/136192749.db2.gz MEHPVTAOIRMZBY-ZIAGYGMSSA-N -1 0 398.360 2.665 50 0 GFAARM Cc1c(C(=O)[O-])sc2nc(SCC(N)=O)n(C3CCCCC3)c(=O)c12 ZINC000036646100 221862358 /nfs/dbraw/zinc/86/23/58/221862358.db2.gz GXRWILDKSATDOF-UHFFFAOYSA-N -1 0 381.479 2.547 50 0 GFAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(F)c1F ZINC000048332695 221988265 /nfs/dbraw/zinc/98/82/65/221988265.db2.gz MZJKCQNMRWPEOF-UHFFFAOYSA-N -1 0 375.324 2.540 50 0 GFAARM Cn1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3F)c2)ccc1=O ZINC000065119441 222101613 /nfs/dbraw/zinc/10/16/13/222101613.db2.gz BKMOHHVKZYEIRJ-UHFFFAOYSA-N -1 0 383.401 2.588 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)c(C)c1 ZINC000065129086 222102547 /nfs/dbraw/zinc/10/25/47/222102547.db2.gz ZCDJSDGUEWBMRP-UHFFFAOYSA-N -1 0 377.447 2.616 50 0 GFAARM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cnn(-c4ccccc4)c3)ccc21 ZINC000058017113 222037901 /nfs/dbraw/zinc/03/79/01/222037901.db2.gz VCMXSBHURICDLE-UHFFFAOYSA-N -1 0 382.445 2.582 50 0 GFAARM O=C([O-])CCCCCNC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O ZINC000061720755 222062319 /nfs/dbraw/zinc/06/23/19/222062319.db2.gz SIYFTYVJNCVBGZ-UHFFFAOYSA-N -1 0 393.443 2.825 50 0 GFAARM Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)c(C(=O)[O-])c2)c(C)c1 ZINC000064843332 222085334 /nfs/dbraw/zinc/08/53/34/222085334.db2.gz CIGGVGZTVFCWHQ-UHFFFAOYSA-N -1 0 375.450 2.798 50 0 GFAARM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)c1 ZINC000065246372 222115049 /nfs/dbraw/zinc/11/50/49/222115049.db2.gz XTPOODCTRYVPJL-UHFFFAOYSA-N -1 0 389.389 2.794 50 0 GFAARM Cc1ccccc1CNC(=O)c1c([O-])c2cnn(Cc3ccccc3)c2[nH]c1=O ZINC000065249890 222116642 /nfs/dbraw/zinc/11/66/42/222116642.db2.gz XPEQXMFKLVMYGH-UHFFFAOYSA-N -1 0 388.427 2.717 50 0 GFAARM O=C([O-])[C@@H](NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O)c1ccccc1 ZINC000071328817 222181707 /nfs/dbraw/zinc/18/17/07/222181707.db2.gz CVLOLYRNGSMQGV-IBGZPJMESA-N -1 0 397.818 2.506 50 0 GFAARM COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3nc(C(C)(C)C)no3)[n-]c2C1 ZINC000095502621 222337103 /nfs/dbraw/zinc/33/71/03/222337103.db2.gz SJPFJDXVAHLBAI-NSHDSACASA-N -1 0 381.436 2.836 50 0 GFAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(=O)[nH]c3ccccc32)cc1 ZINC000095512059 222342762 /nfs/dbraw/zinc/34/27/62/222342762.db2.gz GJXWZKBROWGGNI-SFHVURJKSA-N -1 0 380.400 2.873 50 0 GFAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000095526278 222350850 /nfs/dbraw/zinc/35/08/50/222350850.db2.gz VBDFNDYGDORKQJ-KRWDZBQOSA-N -1 0 391.475 2.792 50 0 GFAARM O=C([O-])c1c(I)cc(F)cc1I ZINC000095910968 222360324 /nfs/dbraw/zinc/36/03/24/222360324.db2.gz FSKNMKMFAGISIJ-UHFFFAOYSA-N -1 0 391.905 2.733 50 0 GFAARM CC(C)n1nc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c2ccccc2c1=O ZINC000095969911 222366995 /nfs/dbraw/zinc/36/69/95/222366995.db2.gz NBNFUMURPXYVHK-GOSISDBHSA-N -1 0 391.427 2.629 50 0 GFAARM C[C@@H](O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C1 ZINC000095972458 222367671 /nfs/dbraw/zinc/36/76/71/222367671.db2.gz WPPWGFLPSZVBJU-NEPJUHHUSA-N -1 0 383.370 2.830 50 0 GFAARM COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000096116305 222383070 /nfs/dbraw/zinc/38/30/70/222383070.db2.gz OZBVDCMBJLXETK-MRXNPFEDSA-N -1 0 380.400 2.687 50 0 GFAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000096167035 222394499 /nfs/dbraw/zinc/39/44/99/222394499.db2.gz CHSBTFHWTXJOQL-HXUWFJFHSA-N -1 0 375.428 2.970 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(F)cc4Cl)c=3c2=O)cc1 ZINC000101167070 222468831 /nfs/dbraw/zinc/46/88/31/222468831.db2.gz PRSJIFVAKDZPGC-CVEARBPZSA-N -1 0 388.786 2.981 50 0 GFAARM Cc1c(=O)c2cccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2oc1-c1ccccc1 ZINC000408513462 533707560 /nfs/dbraw/zinc/70/75/60/533707560.db2.gz QMNYXLXFRIOLFT-QGZVFWFLSA-N -1 0 393.395 2.694 50 0 GFAARM O=C([O-])c1cc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)n(-c2ccccc2)n1 ZINC000237980938 534543255 /nfs/dbraw/zinc/54/32/55/534543255.db2.gz XMLWXBHWDCPZLA-LJQANCHMSA-N -1 0 395.390 2.923 50 0 GFAARM CC[C@H](Cc1ccccc1Br)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000271920580 522316275 /nfs/dbraw/zinc/31/62/75/522316275.db2.gz UTPWMNXUGZXPQE-OCCSQVGLSA-N -1 0 384.270 2.720 50 0 GFAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)s1 ZINC000005075429 551095883 /nfs/dbraw/zinc/09/58/83/551095883.db2.gz LLGSIDJZGNJLSV-UHFFFAOYSA-N -1 0 386.520 2.651 50 0 GFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000005631840 551098060 /nfs/dbraw/zinc/09/80/60/551098060.db2.gz MZBSPWSQSHDGJC-UHFFFAOYSA-N -1 0 397.250 2.526 50 0 GFAARM CCc1nc2sc([C@H](c3cccs3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578168 551118252 /nfs/dbraw/zinc/11/82/52/551118252.db2.gz KHFFLJGIIOONON-AWEZNQCLSA-N -1 0 377.539 2.847 50 0 GFAARM Cc1cc(C(=O)N(C)[C@H]2CCSC2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000163335248 551619140 /nfs/dbraw/zinc/61/91/40/551619140.db2.gz YEFPVKFHRWZJJT-NSHDSACASA-N -1 0 382.429 2.834 50 0 GFAARM COc1cccc(S(C)(=O)=O)c1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000170597350 551635558 /nfs/dbraw/zinc/63/55/58/551635558.db2.gz FVDLCHPDWIEIRD-UHFFFAOYSA-N -1 0 389.882 2.861 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccc2nsnc21)c1ccc(Br)cc1 ZINC000225494707 553059692 /nfs/dbraw/zinc/05/96/92/553059692.db2.gz XCMFBPKBUFZSOO-UHFFFAOYSA-N -1 0 398.263 2.573 50 0 GFAARM COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237116874 553075027 /nfs/dbraw/zinc/07/50/27/553075027.db2.gz ZTOFSTFDTSNCPP-KGLIPLIRSA-N -1 0 384.270 2.577 50 0 GFAARM O=C([O-])C[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)c1cccs1 ZINC000299739690 563390742 /nfs/dbraw/zinc/39/07/42/563390742.db2.gz ABDBDQAIGRLZFD-LLVKDONJSA-N -1 0 376.459 2.519 50 0 GFAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000048354132 570241505 /nfs/dbraw/zinc/24/15/05/570241505.db2.gz NCJJMZBPWSVXDX-UHFFFAOYSA-N -1 0 399.266 2.666 50 0 GFAARM COc1cc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000001158423 570251039 /nfs/dbraw/zinc/25/10/39/570251039.db2.gz KOKAEXQJPBCMAV-UHFFFAOYSA-N -1 0 390.417 2.537 50 0 GFAARM CC[C@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000059923518 570252667 /nfs/dbraw/zinc/25/26/67/570252667.db2.gz VFBACQGDAHTASH-BHYGNILZSA-N -1 0 378.469 2.943 50 0 GFAARM CC(C)Cn1c(-c2ccc(C(=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000048876412 570255312 /nfs/dbraw/zinc/25/53/12/570255312.db2.gz VNAZVHFFVUFHSD-UHFFFAOYSA-N -1 0 384.436 2.564 50 0 GFAARM CC(=O)N[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1c(F)cccc1F ZINC000236720904 570258727 /nfs/dbraw/zinc/25/87/27/570258727.db2.gz WRRCIMHBXJEQAH-IEAZIUSSSA-N -1 0 394.418 2.776 50 0 GFAARM CCOC(=O)/C(=C/[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1)CC(=O)[O-] ZINC000039140606 570271069 /nfs/dbraw/zinc/27/10/69/570271069.db2.gz FZYHGYQWFISLQT-DAPLNWGVSA-N -1 0 378.421 2.688 50 0 GFAARM COc1ccccc1-c1nc(CC(=O)N[C@@H](CCSC)C(=O)[O-])cs1 ZINC000020738468 570278455 /nfs/dbraw/zinc/27/84/55/570278455.db2.gz WRMCIUVSAHCJCY-ZDUSSCGKSA-N -1 0 380.491 2.684 50 0 GFAARM O=S(=O)([N-]c1ncc(-c2nccn2Cc2ccco2)cn1)c1ccccc1 ZINC000101771823 570285181 /nfs/dbraw/zinc/28/51/81/570285181.db2.gz JVLIXZYOTCVBKR-UHFFFAOYSA-N -1 0 381.417 2.782 50 0 GFAARM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002556557 570290668 /nfs/dbraw/zinc/29/06/68/570290668.db2.gz WTUOGGZPHJOAND-HOTGVXAUSA-N -1 0 378.469 2.738 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1 ZINC000002787388 570302112 /nfs/dbraw/zinc/30/21/12/570302112.db2.gz VVVXZNLHLIXOLA-DLBZAZTESA-N -1 0 397.822 2.580 50 0 GFAARM CC(C)(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002886256 570316752 /nfs/dbraw/zinc/31/67/52/570316752.db2.gz HNZVFBBILISBFL-UHFFFAOYSA-N -1 0 398.535 2.803 50 0 GFAARM Cc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000023224453 570350813 /nfs/dbraw/zinc/35/08/13/570350813.db2.gz SCWUNFBMCFDXQQ-UHFFFAOYSA-N -1 0 382.445 2.767 50 0 GFAARM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCO[C@H](CC(=O)[O-])C2)o1 ZINC000237706991 570390762 /nfs/dbraw/zinc/39/07/62/570390762.db2.gz JYKYNWJLBKKHHO-MRXNPFEDSA-N -1 0 395.415 2.756 50 0 GFAARM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000237763526 570395414 /nfs/dbraw/zinc/39/54/14/570395414.db2.gz DOFNWMMRFBYXGI-QGZVFWFLSA-N -1 0 376.416 2.789 50 0 GFAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(=O)N1CCCCCC1 ZINC000004999269 570422915 /nfs/dbraw/zinc/42/29/15/570422915.db2.gz VTLYMIXCDYZZFV-UHFFFAOYSA-N -1 0 389.477 2.907 50 0 GFAARM CCOc1ccc(Cc2nnc(Nc3ccc(OC)cc3OC)[n-]c2=O)cc1 ZINC000005154328 570428467 /nfs/dbraw/zinc/42/84/67/570428467.db2.gz AHLVXRMSVVZTFM-UHFFFAOYSA-N -1 0 382.420 2.915 50 0 GFAARM CC(C)[C@@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000005102880 570429458 /nfs/dbraw/zinc/42/94/58/570429458.db2.gz QKGRIBSRJBJWAO-XCMFGDQWSA-N -1 0 384.407 2.822 50 0 GFAARM CCOc1ccccc1NC(=O)[C@H](Cc1cc(OC)ccc1OC)c1nnn[n-]1 ZINC000005444738 570439829 /nfs/dbraw/zinc/43/98/29/570439829.db2.gz CVJZAYNPJWZYME-OAHLLOKOSA-N -1 0 397.435 2.581 50 0 GFAARM CCC1(CC)[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C[C@@H]1OC ZINC000133270488 570467932 /nfs/dbraw/zinc/46/79/32/570467932.db2.gz MRXTWPOBAHMLPT-GJZGRUSLSA-N -1 0 375.494 2.546 50 0 GFAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccnc2)c1 ZINC000133960108 570468542 /nfs/dbraw/zinc/46/85/42/570468542.db2.gz MRRBWDZMAUFKGK-UONOGXRCSA-N -1 0 378.837 2.546 50 0 GFAARM Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccccc2)n1 ZINC000006632558 570485214 /nfs/dbraw/zinc/48/52/14/570485214.db2.gz TVQINVQSUBQARO-LJQANCHMSA-N -1 0 394.456 2.850 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000006596401 570489682 /nfs/dbraw/zinc/48/96/82/570489682.db2.gz YSRBTLZFGKPIHV-JUKMUDQWSA-N -1 0 375.421 2.793 50 0 GFAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1)[C@H]1CCCO1 ZINC000030531925 570490402 /nfs/dbraw/zinc/49/04/02/570490402.db2.gz FQDICZRODPMDLX-OAHLLOKOSA-N -1 0 382.388 2.883 50 0 GFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000268950741 570490447 /nfs/dbraw/zinc/49/04/47/570490447.db2.gz SQBGNDLRKANEHL-XFJVYGCCSA-N -1 0 391.855 2.728 50 0 GFAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C1 ZINC000269027538 570507471 /nfs/dbraw/zinc/50/74/71/570507471.db2.gz KXUPFQWKUYQDET-FQEVSTJZSA-N -1 0 387.457 2.597 50 0 GFAARM C#CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000033932329 570515108 /nfs/dbraw/zinc/51/51/08/570515108.db2.gz DMZVKBJAWAEGHL-WJDWOHSUSA-N -1 0 392.367 2.920 50 0 GFAARM Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)nc21 ZINC000039970321 570540288 /nfs/dbraw/zinc/54/02/88/570540288.db2.gz HPXXOUNALQFYQJ-UHFFFAOYSA-N -1 0 393.428 2.946 50 0 GFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2cccc(OC)c21 ZINC000046303109 570574651 /nfs/dbraw/zinc/57/46/51/570574651.db2.gz GCBOHQSHARMCCL-UHFFFAOYSA-N -1 0 377.418 2.544 50 0 GFAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cn1C ZINC000006777630 570584510 /nfs/dbraw/zinc/58/45/10/570584510.db2.gz RXZRNWMXXDIHOS-UHFFFAOYSA-N -1 0 387.255 2.683 50 0 GFAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCC(C(=O)[O-])CC3)c2c1 ZINC000036358517 570639415 /nfs/dbraw/zinc/63/94/15/570639415.db2.gz JJCYIQMCBNCCCM-QGZVFWFLSA-N -1 0 387.436 2.685 50 0 GFAARM COc1ccc(CCNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1OC ZINC000006848536 570646856 /nfs/dbraw/zinc/64/68/56/570646856.db2.gz OKWDFPZDQGBIDJ-UHFFFAOYSA-N -1 0 399.852 2.576 50 0 GFAARM O=C([O-])COc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000002837058 570721484 /nfs/dbraw/zinc/72/14/84/570721484.db2.gz QPWAYOOEIVLBJJ-UHFFFAOYSA-N -1 0 380.194 2.930 50 0 GFAARM Cc1nc(N[C@H]2C[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)c(Cl)c(=O)[n-]1 ZINC000253535448 570733604 /nfs/dbraw/zinc/73/36/04/570733604.db2.gz QSUVZLXSQPEEEK-PHIMTYICSA-N -1 0 376.848 2.598 50 0 GFAARM CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000072401941 570738760 /nfs/dbraw/zinc/73/87/60/570738760.db2.gz LYNHDYPVCYZLCY-UHFFFAOYSA-N -1 0 390.399 2.699 50 0 GFAARM CCc1ccccc1NC(=O)[C@@H](Cc1ccc(OC)cc1OC)c1nnn[n-]1 ZINC000005667806 570750630 /nfs/dbraw/zinc/75/06/30/570750630.db2.gz IIISEMBNUUKRCF-INIZCTEOSA-N -1 0 381.436 2.744 50 0 GFAARM CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000007078081 570785461 /nfs/dbraw/zinc/78/54/61/570785461.db2.gz KIAONJSVEQQINV-KYJZABPNSA-N -1 0 393.417 2.528 50 0 GFAARM Nc1ccccc1-c1nnc(SCC(=O)N2CCc3ccccc32)[n-]c1=O ZINC000005932473 570805059 /nfs/dbraw/zinc/80/50/59/570805059.db2.gz AUMZRAUZBMIQJO-UHFFFAOYSA-N -1 0 379.445 2.508 50 0 GFAARM O=C(NCc1ccco1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722595 570829858 /nfs/dbraw/zinc/82/98/58/570829858.db2.gz YASZWNXZPRVRQD-UHFFFAOYSA-N -1 0 379.347 2.753 50 0 GFAARM Cc1ccccc1-c1noc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)n1 ZINC000101893859 570838345 /nfs/dbraw/zinc/83/83/45/570838345.db2.gz AHBTYLPGLAGZAV-IRXDYDNUSA-N -1 0 388.387 2.538 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4c(C)cccc4C)c(=O)c2=3)cc1 ZINC000102001649 570840425 /nfs/dbraw/zinc/84/04/25/570840425.db2.gz SPEMQPCIQJLGQZ-PKOBYXMFSA-N -1 0 391.431 2.544 50 0 GFAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc(F)c(F)c1 ZINC000102173335 570842523 /nfs/dbraw/zinc/84/25/23/570842523.db2.gz UFXNWBQNRVDVMI-SECBINFHSA-N -1 0 375.400 2.991 50 0 GFAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)c1C ZINC000032833705 570845409 /nfs/dbraw/zinc/84/54/09/570845409.db2.gz BLXJXSNKJULBIS-UHFFFAOYSA-N -1 0 386.433 2.598 50 0 GFAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2Cn2cccn2)cc1OC ZINC000032833785 570845422 /nfs/dbraw/zinc/84/54/22/570845422.db2.gz ZBEMPJKZMKKBOL-UHFFFAOYSA-N -1 0 391.424 2.889 50 0 GFAARM CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)CC)cc1C(=O)[O-] ZINC000033253803 570862034 /nfs/dbraw/zinc/86/20/34/570862034.db2.gz QDFZEFXQNSKHIX-UHFFFAOYSA-N -1 0 394.497 2.698 50 0 GFAARM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cnc(-c4ccccc4)nc3)ccc21 ZINC000012560574 570865263 /nfs/dbraw/zinc/86/52/63/570865263.db2.gz LNAWGEWHUCYQMB-UHFFFAOYSA-N -1 0 394.456 2.853 50 0 GFAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(Cl)c4)c=3c2=O)c1 ZINC000102819721 570865871 /nfs/dbraw/zinc/86/58/71/570865871.db2.gz MGUJVDAUKDCIKE-HOTGVXAUSA-N -1 0 386.795 2.855 50 0 GFAARM Cc1nc(CC(=O)N2CCc3[nH]c(-c4cccc(C(=O)[O-])c4)nc3C2)cs1 ZINC000299771022 570894024 /nfs/dbraw/zinc/89/40/24/570894024.db2.gz YGDQGPSPMYYNFR-UHFFFAOYSA-N -1 0 382.445 2.667 50 0 GFAARM CCOc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)CC(C)C ZINC000101803598 570901410 /nfs/dbraw/zinc/90/14/10/570901410.db2.gz DHMPOOWUMZBSPM-UHFFFAOYSA-N -1 0 383.452 2.704 50 0 GFAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cccc(SC)c4)c(=O)c2=3)c1 ZINC000033274058 570949562 /nfs/dbraw/zinc/94/95/62/570949562.db2.gz XLAXDXANAMJCNV-SJORKVTESA-N -1 0 398.444 2.924 50 0 GFAARM COc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1OC ZINC000047317982 570953486 /nfs/dbraw/zinc/95/34/86/570953486.db2.gz UAIRBNJJJGBMOI-UHFFFAOYSA-N -1 0 391.323 2.620 50 0 GFAARM Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2oc1=O ZINC000002137362 570962620 /nfs/dbraw/zinc/96/26/20/570962620.db2.gz DRRKROHDVNVZLV-SFHVURJKSA-N -1 0 395.411 2.601 50 0 GFAARM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002150760 570972490 /nfs/dbraw/zinc/97/24/90/570972490.db2.gz SVCBOTIKJUIHHB-IUODEOHRSA-N -1 0 375.421 2.801 50 0 GFAARM CC[C@H](C)[C@H](NC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)[O-] ZINC000002151799 570973052 /nfs/dbraw/zinc/97/30/52/570973052.db2.gz GQEDXGPXHWISOL-VOJFVSQTSA-N -1 0 375.421 2.713 50 0 GFAARM COC(=O)c1n[nH]c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3F)cc21 ZINC000044895167 570981460 /nfs/dbraw/zinc/98/14/60/570981460.db2.gz ZQKZVBKOBZEHNY-UHFFFAOYSA-N -1 0 385.323 2.568 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 ZINC000136111175 570997531 /nfs/dbraw/zinc/99/75/31/570997531.db2.gz HMXIASVYYSIJHR-CYBMUJFWSA-N -1 0 382.445 2.933 50 0 GFAARM CCn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc(OCC(C)C)cc2)cn1 ZINC000170652618 570998606 /nfs/dbraw/zinc/99/86/06/570998606.db2.gz ATXVNMKZYNWPBN-UHFFFAOYSA-N -1 0 393.509 2.721 50 0 GFAARM COc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc(C(=O)[O-])c1OC ZINC000045946338 571003170 /nfs/dbraw/zinc/00/31/70/571003170.db2.gz YNVBPNGUGQOOCZ-UHFFFAOYSA-N -1 0 391.323 2.620 50 0 GFAARM O=C(c1csc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CCCCC1 ZINC000045961641 571006729 /nfs/dbraw/zinc/00/67/29/571006729.db2.gz RQLOPYCDUSFQMA-UHFFFAOYSA-N -1 0 394.474 2.904 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCC2)ccc1Cl ZINC000232752916 601832253 /nfs/dbraw/zinc/83/22/53/601832253.db2.gz HXDDXYCWPGNZNB-HNNXBMFYSA-N -1 0 398.868 2.747 50 0 GFAARM CCOC(=O)c1oc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1C ZINC000095455175 655029396 /nfs/dbraw/zinc/02/93/96/655029396.db2.gz CHAMEZHWZAPGNX-UHFFFAOYSA-N -1 0 378.328 2.979 50 0 GFAARM Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c2)n1 ZINC000095424044 230987638 /nfs/dbraw/zinc/98/76/38/230987638.db2.gz VLDGLHJDGRUYNH-FQEVSTJZSA-N -1 0 377.444 2.974 50 0 GFAARM CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C([O-])=C2C(=O)CCCCC2=O)no1 ZINC000225552271 222684000 /nfs/dbraw/zinc/68/40/00/222684000.db2.gz UGSBYBFMIPYAAT-NSHDSACASA-N -1 0 391.424 2.653 50 0 GFAARM COc1cc(OC)nc([C@@H](Sc2ncc(C(=O)[O-])n2C)c2ccccc2)n1 ZINC000001742033 212254684 /nfs/dbraw/zinc/25/46/84/212254684.db2.gz AQEUKBYOMABLLC-HNNXBMFYSA-N -1 0 386.433 2.807 50 0 GFAARM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c1 ZINC000000994827 212202617 /nfs/dbraw/zinc/20/26/17/212202617.db2.gz UKMSVBGXSLGRQI-UHFFFAOYSA-N -1 0 398.444 2.847 50 0 GFAARM [O-]c1c(Br)cc(C(=S)N2CCOCC2)cc1Br ZINC000000832742 212187266 /nfs/dbraw/zinc/18/72/66/212187266.db2.gz HAYXTUGXIURYBK-UHFFFAOYSA-N -1 0 381.089 2.925 50 0 GFAARM O=C([O-])Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12 ZINC000000538211 212163941 /nfs/dbraw/zinc/16/39/41/212163941.db2.gz LKBFFDOJUKLQNY-UHFFFAOYSA-N -1 0 391.196 2.974 50 0 investigational GFAARM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000245328649 212134921 /nfs/dbraw/zinc/13/49/21/212134921.db2.gz VYQYYGKTJRHTTH-IHRRRGAJSA-N -1 0 388.530 2.640 50 0 GFAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@@H+]3CCC[C@@H](C(=O)[O-])C3)c2c1 ZINC000227173757 212115879 /nfs/dbraw/zinc/11/58/79/212115879.db2.gz OQFYKPKKUCEUSB-PXAZEXFGSA-N -1 0 387.436 2.685 50 0 GFAARM O=C([O-])CCN(C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2)C1CCOCC1 ZINC000328595383 212083182 /nfs/dbraw/zinc/08/31/82/212083182.db2.gz SXLRLVVIHJQVLY-OWOJBTEDSA-N -1 0 395.839 2.607 50 0 GFAARM CCCC[C@@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002093212 220502311 /nfs/dbraw/zinc/50/23/11/220502311.db2.gz HEEQHJUOIHMCMN-OAHLLOKOSA-N -1 0 375.421 2.857 50 0 GFAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000002571196 220543405 /nfs/dbraw/zinc/54/34/05/220543405.db2.gz PXOSMUYMWYOVPI-QWRGUYRKSA-N -1 0 391.777 2.513 50 0 GFAARM COc1ccc(CCNC(=O)Cc2c3ccccc3n(C)c2C(=O)[O-])cc1OC ZINC000003660297 220663201 /nfs/dbraw/zinc/66/32/01/220663201.db2.gz JEBUWNZJGFPNIX-UHFFFAOYSA-N -1 0 396.443 2.795 50 0 GFAARM O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1 ZINC000004492430 220721580 /nfs/dbraw/zinc/72/15/80/220721580.db2.gz RIJQWFXCWBENLP-UHFFFAOYSA-N -1 0 394.474 2.873 50 0 GFAARM CCOc1ccc(C2=N/C(=C\c3ccc(OCC(=O)[O-])c(OC)c3)C(=O)O2)cc1 ZINC000007925394 221016587 /nfs/dbraw/zinc/01/65/87/221016587.db2.gz KWERJKGHPWBPOM-YBEGLDIGSA-N -1 0 397.383 2.902 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccncc2)cc1 ZINC000007988576 221021547 /nfs/dbraw/zinc/02/15/47/221021547.db2.gz DQGHOYFRWKVSOR-UHFFFAOYSA-N -1 0 397.456 2.821 50 0 GFAARM CC(=O)Nc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000009359347 221078693 /nfs/dbraw/zinc/07/86/93/221078693.db2.gz PDYNICKVYRGXCV-QGOAFFKASA-N -1 0 392.415 2.922 50 0 GFAARM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[N-]OCc2ccccc2)C(C)C)cc1 ZINC000010318839 221100623 /nfs/dbraw/zinc/10/06/23/221100623.db2.gz OIJBZFJXOOKWKX-SFHVURJKSA-N -1 0 376.478 2.546 50 0 GFAARM Cc1c2c(cc(=O)n1Cc1ccncc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012324993 221183190 /nfs/dbraw/zinc/18/31/90/221183190.db2.gz NOHFXEXSIXSJIH-UHFFFAOYSA-N -1 0 389.440 2.842 50 0 GFAARM O=C(c1oc2ccccc2c1[N-]S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000012508165 221200516 /nfs/dbraw/zinc/20/05/16/221200516.db2.gz NZEBYWIVNYVKRV-UHFFFAOYSA-N -1 0 386.429 2.706 50 0 GFAARM Cc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000013001534 221255023 /nfs/dbraw/zinc/25/50/23/221255023.db2.gz VMELXCOQIZPDME-UHFFFAOYSA-N -1 0 396.509 2.999 50 0 GFAARM O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)S(=O)(=O)[N-]C=N2 ZINC000013363247 221266559 /nfs/dbraw/zinc/26/65/59/221266559.db2.gz SMWKRWIMLSMCFU-UHFFFAOYSA-N -1 0 387.442 2.592 50 0 GFAARM O=c1[n-]c(SCc2nnnn2-c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000013625488 221278438 /nfs/dbraw/zinc/27/84/38/221278438.db2.gz LKWHVQPANLPXRP-UHFFFAOYSA-N -1 0 397.851 2.753 50 0 GFAARM O=C(CSC1=NC(=O)C(Cc2ccccc2F)C([O-])=N1)NC1CCCCC1 ZINC000013957187 221294011 /nfs/dbraw/zinc/29/40/11/221294011.db2.gz MHYIDFJLWLQMSQ-UHFFFAOYSA-N -1 0 391.468 2.746 50 0 GFAARM CCc1nnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)s1 ZINC000014017986 221296181 /nfs/dbraw/zinc/29/61/81/221296181.db2.gz FRCNAKOUVZMNCP-UHFFFAOYSA-N -1 0 386.524 2.589 50 0 GFAARM COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)c3ccc(Cl)s3)C2=O)cc1 ZINC000014117395 221300005 /nfs/dbraw/zinc/30/00/05/221300005.db2.gz UYCXKECAQIEGMG-MRXNPFEDSA-N -1 0 379.825 2.522 50 0 GFAARM Cc1ccc([C@@H]2NC(=O)N[C@@H](c3ccc(C)cc3)C23C(=O)[N-]C(=O)NC3=O)cc1 ZINC000017086898 221379935 /nfs/dbraw/zinc/37/99/35/221379935.db2.gz LLJSRJURUFTWMF-HOTGVXAUSA-N -1 0 392.415 2.591 50 0 GFAARM CCc1c(C)sc(NC(=O)COCC(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000017076962 221375934 /nfs/dbraw/zinc/37/59/34/221375934.db2.gz KBGHRIWASUUWFH-UHFFFAOYSA-N -1 0 376.434 2.911 50 0 GFAARM O=C([O-])C=CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000017079172 221377493 /nfs/dbraw/zinc/37/74/93/221377493.db2.gz CIBHEEAZGMDNMT-MDZDMXLPSA-N -1 0 387.775 2.959 50 0 GFAARM CCOC(=O)Cc1c(C)nc2c(-c3cccc(Br)c3)c[n-]n2c1=O ZINC000018187884 221388518 /nfs/dbraw/zinc/38/85/18/221388518.db2.gz HTOWJOTXUVFVBR-UHFFFAOYSA-N -1 0 390.237 2.866 50 0 GFAARM O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)Nc1cccc(F)c1 ZINC000019814944 221456226 /nfs/dbraw/zinc/45/62/26/221456226.db2.gz ZPXDEFVYXCNBIP-UHFFFAOYSA-N -1 0 385.420 2.936 50 0 GFAARM COc1ccc(C)cc1[C@@H](C(=O)[O-])N1CCN(Cc2csc(C)n2)CC1 ZINC000095386067 533407387 /nfs/dbraw/zinc/40/73/87/533407387.db2.gz VQNFINQGHIGZKY-SFHVURJKSA-N -1 0 375.494 2.712 50 0 GFAARM CC(=O)Nc1ccc(N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1C(=O)[O-] ZINC000045967720 132424952 /nfs/dbraw/zinc/42/49/52/132424952.db2.gz OQKJTOXDYADTGA-UHFFFAOYSA-N -1 0 381.432 2.872 50 0 GFAARM COCCOc1ccc([C@H](C(=O)[O-])N2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000095392450 136178930 /nfs/dbraw/zinc/17/89/30/136178930.db2.gz GWFMCGWLBZWMOT-OAQYLSRUSA-N -1 0 384.476 2.968 50 0 GFAARM CCc1cc(=O)n2[n-]c(SC)c(-c3nc(-c4ccc5c(c4)OCO5)no3)c2n1 ZINC000021774654 221540504 /nfs/dbraw/zinc/54/05/04/221540504.db2.gz YILORRZNYGTLJM-UHFFFAOYSA-N -1 0 397.416 2.753 50 0 GFAARM CCc1nc2sc([C@@H](c3ccccc3F)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855177 221573660 /nfs/dbraw/zinc/57/36/60/221573660.db2.gz MXRRWTQBFKPCIR-OAHLLOKOSA-N -1 0 376.457 2.744 50 0 GFAARM COc1cc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc(C(=O)[O-])c1OC ZINC000055676027 222024914 /nfs/dbraw/zinc/02/49/14/222024914.db2.gz JHUZHSMAHFJAPS-UHFFFAOYSA-N -1 0 379.434 2.844 50 0 GFAARM CC[C@]1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CCC(=O)NC1=O ZINC000057121537 222029032 /nfs/dbraw/zinc/02/90/32/222029032.db2.gz BJYOURSLMWEANE-QGZVFWFLSA-N -1 0 378.475 2.633 50 0 GFAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3sc4c([n-]cnc4=O)c3c2)C1 ZINC000045796115 221963953 /nfs/dbraw/zinc/96/39/53/221963953.db2.gz PBKPCUSRCPZMIY-PHIMTYICSA-N -1 0 377.491 2.804 50 0 GFAARM O=C(Cc1csc(-c2ccccc2Cl)n1)[N-]S(=O)(=O)N1CCCCC1 ZINC000052795980 222007774 /nfs/dbraw/zinc/00/77/74/222007774.db2.gz OXKWKZDFJGKSJG-UHFFFAOYSA-N -1 0 399.925 2.853 50 0 GFAARM CCOc1ccc(C(=O)CCC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)cc1C ZINC000055243290 222018250 /nfs/dbraw/zinc/01/82/50/222018250.db2.gz BFVNLTCMDJXPDD-AWEZNQCLSA-N -1 0 375.343 2.878 50 0 GFAARM CCn1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cn3)c2)ccc1=O ZINC000065128987 222101723 /nfs/dbraw/zinc/10/17/23/222101723.db2.gz KMCWTCNIQYXMOJ-UHFFFAOYSA-N -1 0 396.881 2.841 50 0 GFAARM CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc1 ZINC000064976641 222090785 /nfs/dbraw/zinc/09/07/85/222090785.db2.gz ZONRISYYUHJIFK-UHFFFAOYSA-N -1 0 379.869 2.894 50 0 GFAARM CCc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)c1 ZINC000064976652 222090969 /nfs/dbraw/zinc/09/09/69/222090969.db2.gz DOSUOVYCCOOPTG-UHFFFAOYSA-N -1 0 379.869 2.894 50 0 GFAARM COc1ccc(Cn2nc(C(=O)[O-])c3c2CCN(C(=O)c2ccccc2)C3)cc1 ZINC000067868829 222165160 /nfs/dbraw/zinc/16/51/60/222165160.db2.gz VEUBXWWYJOLTBK-UHFFFAOYSA-N -1 0 391.427 2.837 50 0 GFAARM CCn1ncc(Cn2nc(C)c(NC(=O)Cc3ccccc3C(=O)[O-])c2C)c1C ZINC000071281269 222178208 /nfs/dbraw/zinc/17/82/08/222178208.db2.gz YFSORJWBGATTBY-UHFFFAOYSA-N -1 0 395.463 2.952 50 0 GFAARM CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O)C(=O)[O-] ZINC000071328972 222182034 /nfs/dbraw/zinc/18/20/34/222182034.db2.gz UIMQDGMXAOTCGB-SPLOXXLWSA-N -1 0 393.443 2.679 50 0 GFAARM O=C([O-])c1cc(-c2ccc(-c3cc[nH]n3)cc2)cc(S(=O)(=O)NC2CC2)c1 ZINC000071745526 222187709 /nfs/dbraw/zinc/18/77/09/222187709.db2.gz BYLDXYYGBYITQW-UHFFFAOYSA-N -1 0 383.429 2.883 50 0 GFAARM O=C(c1ccccc1)[C@@H]1CCCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC000077520531 222285652 /nfs/dbraw/zinc/28/56/52/222285652.db2.gz RQBYOQPNAQBMRR-QGZVFWFLSA-N -1 0 375.428 2.901 50 0 GFAARM COc1ccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)cc1OC ZINC000170624703 222559632 /nfs/dbraw/zinc/55/96/32/222559632.db2.gz IOSXMFVPHNQBRQ-GFCCVEGCSA-N -1 0 394.427 2.771 50 0 GFAARM Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2)cc1 ZINC000269195848 525490825 /nfs/dbraw/zinc/49/08/25/525490825.db2.gz PTINJAPPWQFZOV-KRWDZBQOSA-N -1 0 387.457 2.516 50 0 GFAARM COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1Cl ZINC000003245217 551092323 /nfs/dbraw/zinc/09/23/23/551092323.db2.gz XVYFYSPBGXWZGC-UHFFFAOYSA-N -1 0 385.825 2.881 50 0 GFAARM CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000003394759 551093301 /nfs/dbraw/zinc/09/33/01/551093301.db2.gz NFYOXOIDASVLEH-SECBINFHSA-N -1 0 391.820 2.843 50 0 GFAARM O=S(=O)([N-]c1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccs1 ZINC000005652256 551098010 /nfs/dbraw/zinc/09/80/10/551098010.db2.gz CNNHHMMFIMBFCX-UHFFFAOYSA-N -1 0 398.487 2.620 50 0 GFAARM COc1ccc(/C=N\NC(=O)c2ccccc2Br)cc1C(=O)[O-] ZINC000033304191 551133709 /nfs/dbraw/zinc/13/37/09/551133709.db2.gz FHUMCILULQNLJP-NVMNQCDNSA-N -1 0 377.194 2.920 50 0 GFAARM O=C(NCc1cccc(Br)c1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000049409548 551159008 /nfs/dbraw/zinc/15/90/08/551159008.db2.gz IPRHSMHZYDZMIC-UHFFFAOYSA-N -1 0 379.235 2.988 50 0 GFAARM O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cnc([C@H]2CCCO2)s1 ZINC000129441963 551358033 /nfs/dbraw/zinc/35/80/33/551358033.db2.gz BPCLOVZKNTUOPZ-GFCCVEGCSA-N -1 0 388.417 2.533 50 0 GFAARM COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000237116255 553075024 /nfs/dbraw/zinc/07/50/24/553075024.db2.gz XRBCURAMVWUZBE-OAHLLOKOSA-N -1 0 398.297 2.968 50 0 GFAARM O=C([O-])CCN(C(=O)CCc1ccccc1Br)C1CCOCC1 ZINC000238063735 553085865 /nfs/dbraw/zinc/08/58/65/553085865.db2.gz ADLQEBMTISHARA-UHFFFAOYSA-N -1 0 384.270 2.864 50 0 GFAARM CSc1nnc(CNC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000263377059 553187018 /nfs/dbraw/zinc/18/70/18/553187018.db2.gz OJIZNPCKCRVTHN-LBPRGKRZSA-N -1 0 380.495 2.535 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000000892674 570228610 /nfs/dbraw/zinc/22/86/10/570228610.db2.gz LIESTRPWACVPAF-UHFFFAOYSA-N -1 0 382.488 2.809 50 0 GFAARM O=C([O-])C=CC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000112124320 570250988 /nfs/dbraw/zinc/25/09/88/570250988.db2.gz HJNJRRFFZDRRDS-SIFUEBAJSA-N -1 0 396.424 2.690 50 0 GFAARM COc1cccc2c([C@H](C(=O)[O-])N3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c21 ZINC000020723956 570276818 /nfs/dbraw/zinc/27/68/18/570276818.db2.gz OYZVQBAQYYVHLR-QGZVFWFLSA-N -1 0 389.452 2.855 50 0 GFAARM COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000002864292 570312415 /nfs/dbraw/zinc/31/24/15/570312415.db2.gz BTAYICGHHCXPOG-UHFFFAOYSA-N -1 0 382.869 2.907 50 0 GFAARM CN(C)c1ncc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000035397744 570348887 /nfs/dbraw/zinc/34/88/87/570348887.db2.gz JYJZCNZAGMMVQN-UHFFFAOYSA-N -1 0 390.248 2.953 50 0 GFAARM C[C@@H]1CN(Cc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000237416615 570351332 /nfs/dbraw/zinc/35/13/32/570351332.db2.gz SBLKRDVGJWVIPQ-CBGDNZLLSA-N -1 0 396.487 2.722 50 0 GFAARM COc1ccc(-c2[nH]c3nc(O)nc(O)c3c2-c2c([O-])cc(C)oc2=O)cc1 ZINC000604404440 570361457 /nfs/dbraw/zinc/36/14/57/570361457.db2.gz HDOACDZILPBRIA-UHFFFAOYSA-N -1 0 381.344 2.679 50 0 GFAARM C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)[C@H]1COc2ccccc21 ZINC000237494258 570373464 /nfs/dbraw/zinc/37/34/64/570373464.db2.gz WRZUACKPQQCZIU-CZUORRHYSA-N -1 0 377.400 2.865 50 0 GFAARM Cn1c(=O)c2ccc(C(=O)NCCOC3CCCCCC3)cc2[n-]c1=S ZINC000118360721 570374686 /nfs/dbraw/zinc/37/46/86/570374686.db2.gz YUZSRPRSKKPZGG-UHFFFAOYSA-N -1 0 375.494 2.691 50 0 GFAARM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000237732370 570393075 /nfs/dbraw/zinc/39/30/75/570393075.db2.gz MMTHMLLIMQQASP-WOJBJXKFSA-N -1 0 394.471 2.546 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)[O-] ZINC000006357719 570398032 /nfs/dbraw/zinc/39/80/32/570398032.db2.gz IWSBBCFFUAOWSK-ZMZPIMSZSA-N -1 0 387.432 2.584 50 0 GFAARM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1 ZINC000024927844 570398955 /nfs/dbraw/zinc/39/89/55/570398955.db2.gz DSRAZPIJHAHPTA-UHFFFAOYSA-N -1 0 395.380 2.790 50 0 GFAARM O=C([O-])c1cccc(-c2nc3c([nH]2)CCN(C(=O)Cc2ccc(O)cc2)C3)c1 ZINC000222293094 570408080 /nfs/dbraw/zinc/40/80/80/570408080.db2.gz WYLWZLWANPCDON-UHFFFAOYSA-N -1 0 377.400 2.608 50 0 GFAARM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc(Cl)c1O ZINC000005008693 570423593 /nfs/dbraw/zinc/42/35/93/570423593.db2.gz OIAHKHLINHADBI-HNNXBMFYSA-N -1 0 398.843 2.650 50 0 GFAARM COc1ccc(OC)c(C[C@@H](C(=O)Nc2cccc(C)c2C)c2nnn[n-]2)c1 ZINC000006207519 570471977 /nfs/dbraw/zinc/47/19/77/570471977.db2.gz XHYZEZZOPXNJSU-MRXNPFEDSA-N -1 0 381.436 2.799 50 0 GFAARM COc1cc(C2N=NC(=S)N2c2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000002388713 570479184 /nfs/dbraw/zinc/47/91/84/570479184.db2.gz BDIZPKSQWYVRKR-UHFFFAOYSA-N -1 0 387.417 2.947 50 0 GFAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)[O-] ZINC000006624023 570508447 /nfs/dbraw/zinc/50/84/47/570508447.db2.gz HHFLZRRJEFOTLR-OAHLLOKOSA-N -1 0 387.432 2.727 50 0 GFAARM COc1ccc(-c2cc3c(N4CCC(C(=O)[O-])CC4)nccn3n2)cc1OC ZINC000033247629 570521392 /nfs/dbraw/zinc/52/13/92/570521392.db2.gz RDHKGZYOYCLZIO-UHFFFAOYSA-N -1 0 382.420 2.715 50 0 GFAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCOCC1 ZINC000032962226 570542912 /nfs/dbraw/zinc/54/29/12/570542912.db2.gz VCBMWTLHEMUWKK-UHFFFAOYSA-N -1 0 396.852 2.676 50 0 GFAARM O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2)s1)c1ccccc1F ZINC000006778333 570584379 /nfs/dbraw/zinc/58/43/79/570584379.db2.gz GUFTWOJVFIBWLA-UHFFFAOYSA-N -1 0 378.410 2.730 50 0 GFAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000005425821 570590286 /nfs/dbraw/zinc/59/02/86/570590286.db2.gz PXOSMUYMWYOVPI-MNOVXSKESA-N -1 0 391.777 2.513 50 0 GFAARM Cc1cccc(F)c1S(=O)(=O)N(Cc1ccccc1)[C@]1(C(=O)[O-])CCOC1 ZINC000225839805 570624275 /nfs/dbraw/zinc/62/42/75/570624275.db2.gz HYZBSIZZHSPJOR-LJQANCHMSA-N -1 0 393.436 2.569 50 0 GFAARM COc1cccc(-c2nc(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cs2)c1OC ZINC000036366774 570645501 /nfs/dbraw/zinc/64/55/01/570645501.db2.gz KZCWXMZVMSWVDU-AWEZNQCLSA-N -1 0 392.477 2.985 50 0 GFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)N[C@H](C)c1ccccc1)c2=O ZINC000012415800 570670007 /nfs/dbraw/zinc/67/00/07/570670007.db2.gz HNKGVUONYIOSCG-GFCCVEGCSA-N -1 0 397.456 2.723 50 0 GFAARM [O-]c1c([C@@H](c2ccco2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022031012 570778406 /nfs/dbraw/zinc/77/84/06/570778406.db2.gz GTQGVPSIDKMWQW-QGZVFWFLSA-N -1 0 395.488 2.997 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1 ZINC000101893828 570838382 /nfs/dbraw/zinc/83/83/82/570838382.db2.gz JBWYQKZEZIRFQB-DLBZAZTESA-N -1 0 388.387 2.538 50 0 GFAARM Cn1c(=O)c2ccc(C(=O)NCCCOC3CCCCC3)cc2[n-]c1=S ZINC000102854946 570867885 /nfs/dbraw/zinc/86/78/85/570867885.db2.gz LWCAKQXTOYIQPH-UHFFFAOYSA-N -1 0 375.494 2.691 50 0 GFAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000072146296 570871596 /nfs/dbraw/zinc/87/15/96/570871596.db2.gz CTZYOSMQLJWIIA-HNNXBMFYSA-N -1 0 378.432 2.982 50 0 GFAARM CNS(=O)(=O)c1cc(NC(=O)COc2ccccc2C(C)(C)C)ccc1[O-] ZINC000170617783 570875575 /nfs/dbraw/zinc/87/55/75/570875575.db2.gz YRKOZRRNKDNAFF-UHFFFAOYSA-N -1 0 392.477 2.615 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC000042268132 570887039 /nfs/dbraw/zinc/88/70/39/570887039.db2.gz DEXSBYMAEUZWIH-UHFFFAOYSA-N -1 0 387.335 2.595 50 0 GFAARM COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1nccnc1C(=O)[O-] ZINC000071286532 570888746 /nfs/dbraw/zinc/88/87/46/570888746.db2.gz PTPSPBBFDJWWID-UHFFFAOYSA-N -1 0 392.371 2.688 50 0 GFAARM O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000120933151 570890569 /nfs/dbraw/zinc/89/05/69/570890569.db2.gz JPAAYWNQQPKMPV-KBPBESRZSA-N -1 0 386.351 2.589 50 0 GFAARM CCCC[C@@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002096005 570941295 /nfs/dbraw/zinc/94/12/95/570941295.db2.gz AFAYYSBPZRDRBU-OAHLLOKOSA-N -1 0 375.421 2.802 50 0 GFAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCC(=O)[O-])ccc12 ZINC000002102276 570942394 /nfs/dbraw/zinc/94/23/94/570942394.db2.gz CDGKEIVKDFXPPQ-UHFFFAOYSA-N -1 0 375.421 2.804 50 0 GFAARM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000047403063 570955668 /nfs/dbraw/zinc/95/56/68/570955668.db2.gz LUZRLHPYEQSKCX-UHFFFAOYSA-N -1 0 384.701 2.948 50 0 GFAARM CC(C)CN1C(=O)C(=CNc2ccc(OC(F)(F)F)cc2)C(=O)NC1=S ZINC000009469625 570959707 /nfs/dbraw/zinc/95/97/07/570959707.db2.gz NNGPSTOBQKTJFU-GHXNOFRVSA-N -1 0 387.383 2.780 50 0 GFAARM COc1ccc(Cl)cc1[C@H](C(=O)[O-])N1CCN(Cc2ccccn2)CC1 ZINC000095381867 571067984 /nfs/dbraw/zinc/06/79/84/571067984.db2.gz QKXMSFUGYYMVIF-GOSISDBHSA-N -1 0 375.856 2.687 50 0 GFAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1cc(C3CC3)n(C)n1)CC2 ZINC000630161945 600995897 /nfs/dbraw/zinc/99/58/97/600995897.db2.gz VQCXJHJBZOFWFF-KRWDZBQOSA-N -1 0 399.447 2.529 50 0 GFAARM Cc1sc2ncnc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2c1C ZINC000002659765 654437106 /nfs/dbraw/zinc/43/71/06/654437106.db2.gz YRKPBSQCHJUVFG-UHFFFAOYSA-N -1 0 377.447 2.880 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C)n3)cs2)cc1OC ZINC000021701579 654529256 /nfs/dbraw/zinc/52/92/56/654529256.db2.gz SESIFSVBUBFUSL-UHFFFAOYSA-N -1 0 381.435 2.925 50 0 GFAARM CCOc1ccccc1[C@H](C(=O)[O-])N1CCN(Cc2csc(C)n2)CC1 ZINC000095387475 230986816 /nfs/dbraw/zinc/98/68/16/230986816.db2.gz AVRTXXRKKWZBBH-GOSISDBHSA-N -1 0 375.494 2.794 50 0 GFAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@@H]3c2ccc[nH]c2=O)cc1 ZINC000095473309 230994065 /nfs/dbraw/zinc/99/40/65/230994065.db2.gz IEPAMYFJESTZEK-OAHLLOKOSA-N -1 0 382.401 2.683 50 0 GFAARM O=C([O-])c1ccc(CNC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)cc1 ZINC000426701593 231254708 /nfs/dbraw/zinc/25/47/08/231254708.db2.gz KLLCZZIFNGBRTB-HXUWFJFHSA-N -1 0 382.460 2.910 50 0 GFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCc1ccccc1 ZINC000009828686 212235983 /nfs/dbraw/zinc/23/59/83/212235983.db2.gz POPDNIQXAIBRHS-UHFFFAOYSA-N -1 0 387.486 2.803 50 0 GFAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)c1 ZINC000009828188 212234438 /nfs/dbraw/zinc/23/44/38/212234438.db2.gz SLBKJQKXJGLZJW-UHFFFAOYSA-N -1 0 390.461 2.523 50 0 GFAARM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000795322 212182837 /nfs/dbraw/zinc/18/28/37/212182837.db2.gz VYFJBZVFZRPYBM-UHFFFAOYSA-N -1 0 382.445 2.767 50 0 GFAARM COc1cc2oc(=O)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c2cc1Cl ZINC000002158399 220506739 /nfs/dbraw/zinc/50/67/39/220506739.db2.gz ZWQDIIMVCQNQMS-INIZCTEOSA-N -1 0 381.812 2.531 50 0 GFAARM Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004648704 220740518 /nfs/dbraw/zinc/74/05/18/220740518.db2.gz YWOBAKLKZHHUQQ-UHFFFAOYSA-N -1 0 398.444 2.823 50 0 GFAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000005252654 220849701 /nfs/dbraw/zinc/84/97/01/220849701.db2.gz HOORWCCBXLPAAL-UHFFFAOYSA-N -1 0 387.461 2.512 50 0 GFAARM CCOc1ccc(OCC(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)cc1 ZINC000007986610 221019578 /nfs/dbraw/zinc/01/95/78/221019578.db2.gz VVIYPLGNSVZQKV-UHFFFAOYSA-N -1 0 387.388 2.962 50 0 GFAARM NC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000009154194 221071353 /nfs/dbraw/zinc/07/13/53/221071353.db2.gz MVYQWQCBWREPFA-UHFFFAOYSA-N -1 0 391.193 2.627 50 0 GFAARM O=C1N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000011859171 221133867 /nfs/dbraw/zinc/13/38/67/221133867.db2.gz BPVKQRQJQSDSDR-IOASZLSFSA-N -1 0 399.756 2.839 50 0 GFAARM NC(=O)c1cc(N2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012520897 221201043 /nfs/dbraw/zinc/20/10/43/221201043.db2.gz YPQGAPKFALKXOO-UHFFFAOYSA-N -1 0 377.441 2.716 50 0 GFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CCSC)c1 ZINC000012794527 221232561 /nfs/dbraw/zinc/23/25/61/221232561.db2.gz PGMVILCRXDDGBD-UHFFFAOYSA-N -1 0 396.490 2.893 50 0 GFAARM COc1ccc2c(C)c(CC(=O)Nc3ccc(C(=O)[O-])cc3)c(=O)oc2c1OC ZINC000012894457 221242379 /nfs/dbraw/zinc/24/23/79/221242379.db2.gz IAXWQVONYVAYOO-UHFFFAOYSA-N -1 0 397.383 2.998 50 0 GFAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)NCc3ccccc3)cc2s1 ZINC000013348749 221266022 /nfs/dbraw/zinc/26/60/22/221266022.db2.gz ZYDJQWNDYOZVQV-UHFFFAOYSA-N -1 0 376.463 2.990 50 0 GFAARM Cc1cc(C)n(-c2nnc3n2N=C(c2ccc(C)cc2)[C@H](CC(=O)[O-])S3)n1 ZINC000013013816 221258390 /nfs/dbraw/zinc/25/83/90/221258390.db2.gz MMIYYMATDPXZGS-AWEZNQCLSA-N -1 0 382.449 2.590 50 0 GFAARM COc1ccc(Cl)cc1NC(=O)CSc1nc([O-])cc(=O)n1CC(C)C ZINC000013040422 221258908 /nfs/dbraw/zinc/25/89/08/221258908.db2.gz FDODWNZHVJXJTF-UHFFFAOYSA-N -1 0 397.884 2.998 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2cccc(OC)c2OC)cc1 ZINC000013189644 221263013 /nfs/dbraw/zinc/26/30/13/221263013.db2.gz UJCMRRSOFXHSIT-QGZVFWFLSA-N -1 0 387.432 2.977 50 0 GFAARM Cc1cccc(OCCNC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000013234889 221263651 /nfs/dbraw/zinc/26/36/51/221263651.db2.gz ZDFKRNREIUUUEB-LJQANCHMSA-N -1 0 381.432 2.850 50 0 GFAARM O=C([O-])C=CC(=O)Nc1cccc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)c1 ZINC000013576279 221274052 /nfs/dbraw/zinc/27/40/52/221274052.db2.gz JVGKQALPJVBTBS-SCOAYWHSSA-N -1 0 396.424 2.690 50 0 GFAARM COc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1OCc1c(C)noc1C ZINC000408526079 533517979 /nfs/dbraw/zinc/51/79/79/533517979.db2.gz NFFCTPKYZIUBTM-MRXNPFEDSA-N -1 0 388.420 2.958 50 0 GFAARM COCCOc1ccc([C@@H](C(=O)[O-])N2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000095392449 136179007 /nfs/dbraw/zinc/17/90/07/136179007.db2.gz GWFMCGWLBZWMOT-NRFANRHFSA-N -1 0 384.476 2.968 50 0 GFAARM Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)nc(N3CCOCC3)nc2C)cc1C ZINC000096098627 136183635 /nfs/dbraw/zinc/18/36/35/136183635.db2.gz HQZIBQXZPCUDKF-UHFFFAOYSA-N -1 0 390.509 2.656 50 0 GFAARM C/C(=C/C(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C)cc1)C(=O)[O-] ZINC000037018989 221868392 /nfs/dbraw/zinc/86/83/92/221868392.db2.gz QJFHERGCUIHEAR-KAMYIIQDSA-N -1 0 396.399 2.760 50 0 GFAARM CC1(C)Oc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2O1 ZINC000055593862 222024408 /nfs/dbraw/zinc/02/44/08/222024408.db2.gz DCOANDCJUVTCAP-UHFFFAOYSA-N -1 0 391.449 2.559 50 0 GFAARM COc1cc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc(C(=O)[O-])c1OC ZINC000057008355 222027735 /nfs/dbraw/zinc/02/77/35/222027735.db2.gz JYXQOOLNWREBTA-UHFFFAOYSA-N -1 0 387.360 2.505 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc2c1OCCO2 ZINC000057115865 222027919 /nfs/dbraw/zinc/02/79/19/222027919.db2.gz LEDNSTZCHRWYSI-UHFFFAOYSA-N -1 0 387.772 2.749 50 0 GFAARM Cn1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2)ccc1=O ZINC000065128945 222101904 /nfs/dbraw/zinc/10/19/04/222101904.db2.gz WYYZLKZFCPLCAN-UHFFFAOYSA-N -1 0 383.401 2.588 50 0 GFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)cc1Cl ZINC000065119385 222101922 /nfs/dbraw/zinc/10/19/22/222101922.db2.gz XVUOCGXUHZGFLT-UHFFFAOYSA-N -1 0 397.865 2.961 50 0 GFAARM O=C(C[C@@H]1Sc2cc(C(=O)[O-])ccc2NC1=O)Nc1ccc2c(c1)OCO2 ZINC000061720619 222063123 /nfs/dbraw/zinc/06/31/23/222063123.db2.gz LLKMYTVPJSPIQP-HNNXBMFYSA-N -1 0 386.385 2.555 50 0 GFAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2OC)c(C)n1C ZINC000064863085 222086045 /nfs/dbraw/zinc/08/60/45/222086045.db2.gz JBVGBDJSECVSTH-UHFFFAOYSA-N -1 0 396.465 2.637 50 0 GFAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cc(OC)ccc2OC)c(C)n1C ZINC000064863222 222086107 /nfs/dbraw/zinc/08/61/07/222086107.db2.gz HPZBXDZIISVIRU-UHFFFAOYSA-N -1 0 396.465 2.637 50 0 GFAARM O=C([O-])c1ccc(CNC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cc1 ZINC000071280242 222178547 /nfs/dbraw/zinc/17/85/47/222178547.db2.gz ZSBAPPLEBYSBOQ-UHFFFAOYSA-N -1 0 397.818 2.578 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000071288761 222180163 /nfs/dbraw/zinc/18/01/63/222180163.db2.gz IWVLEGYYTWZQTN-UHFFFAOYSA-N -1 0 376.372 2.608 50 0 GFAARM COc1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC3CC3)c2)c(OC)c1 ZINC000071708160 222188518 /nfs/dbraw/zinc/18/85/18/222188518.db2.gz GPIFJTSDGHHLEY-UHFFFAOYSA-N -1 0 377.418 2.510 50 0 GFAARM Nc1cc(N2CCC(Cc3ccccc3C(F)(F)F)(C(=O)[O-])CC2)ncn1 ZINC000071749700 222188909 /nfs/dbraw/zinc/18/89/09/222188909.db2.gz FIOQXXQAFPDMDA-UHFFFAOYSA-N -1 0 380.370 2.992 50 0 GFAARM COc1cc(OC)cc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000071775993 222197620 /nfs/dbraw/zinc/19/76/20/222197620.db2.gz YRQLSHLMBMKOOA-UHFFFAOYSA-N -1 0 391.445 2.854 50 0 GFAARM Cc1ccc(CN2CCN(Cc3ccccc3O[C@H](C)C(=O)[O-])CC2=O)cc1 ZINC000072167113 222215524 /nfs/dbraw/zinc/21/55/24/222215524.db2.gz PPZHIZXAJSHZTH-QGZVFWFLSA-N -1 0 382.460 2.691 50 0 GFAARM CCc1ccc(-c2cc(C(=O)N3CCn4nc(CCC(=O)[O-])cc4C3)[nH]n2)cc1 ZINC000072417943 222257922 /nfs/dbraw/zinc/25/79/22/222257922.db2.gz CCONOIRSLLLOTI-UHFFFAOYSA-N -1 0 393.447 2.509 50 0 GFAARM Cc1ccc(C(=O)N2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)cc1C ZINC000072474430 222264364 /nfs/dbraw/zinc/26/43/64/222264364.db2.gz SDMLWXALLOHPAU-SFHVURJKSA-N -1 0 384.476 2.621 50 0 GFAARM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1 ZINC000079047605 222301462 /nfs/dbraw/zinc/30/14/62/222301462.db2.gz BWUPDTHFULZLNG-UHFFFAOYSA-N -1 0 388.367 2.794 50 0 GFAARM C[C@H](O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C1 ZINC000095972457 222366964 /nfs/dbraw/zinc/36/69/64/222366964.db2.gz WPPWGFLPSZVBJU-RYUDHWBXSA-N -1 0 383.370 2.830 50 0 GFAARM Cc1c(C(=O)NCCCCCCC(=O)[O-])nnn1-c1ccc(OC(F)F)cc1 ZINC000095970458 222367037 /nfs/dbraw/zinc/36/70/37/222367037.db2.gz TWKCLSKQZUZHMA-UHFFFAOYSA-N -1 0 396.394 2.942 50 0 GFAARM O=C([O-])CCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000095970456 222367749 /nfs/dbraw/zinc/36/77/49/222367749.db2.gz IFMXVIIIGDHMNW-QGZVFWFLSA-N -1 0 386.448 2.772 50 0 GFAARM O=C([O-])C1CCC(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 ZINC000095970508 222367992 /nfs/dbraw/zinc/36/79/92/222367992.db2.gz KXIXDSJINPYFCG-UHFFFAOYSA-N -1 0 391.445 2.627 50 0 GFAARM CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000632137527 450600995 /nfs/dbraw/zinc/60/09/95/450600995.db2.gz OGYUCMXXCXPNTJ-OCCSQVGLSA-N -1 0 388.917 2.607 50 0 GFAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N1CCN(Cc2csc(C)n2)CC1 ZINC000095385392 533955930 /nfs/dbraw/zinc/95/59/30/533955930.db2.gz VROFXJAHQAUSLB-KRWDZBQOSA-N -1 0 379.457 2.543 50 0 GFAARM NS(=O)(=O)c1ccc(-n2nc(C(=O)[O-])cc2-c2ccc(Cl)cc2)cc1 ZINC000005675834 551098280 /nfs/dbraw/zinc/09/82/80/551098280.db2.gz NHAUQESLCOSREJ-UHFFFAOYSA-N -1 0 377.809 2.538 50 0 GFAARM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022458823 551117657 /nfs/dbraw/zinc/11/76/57/551117657.db2.gz FAXCOGQKPGSPLL-AWEZNQCLSA-N -1 0 377.901 2.795 50 0 GFAARM CCO[C@@H](C)c1nc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cs1 ZINC000123829808 551308914 /nfs/dbraw/zinc/30/89/14/551308914.db2.gz ARMYHWWHJZLUOQ-NSHDSACASA-N -1 0 380.491 2.848 50 0 GFAARM COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000237104338 553074778 /nfs/dbraw/zinc/07/47/78/553074778.db2.gz XRBCURAMVWUZBE-HNNXBMFYSA-N -1 0 398.297 2.968 50 0 GFAARM CC(=O)c1csc(C(=O)[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000242106286 553087472 /nfs/dbraw/zinc/08/74/72/553087472.db2.gz WIKIOOVQONQJLM-UHFFFAOYSA-N -1 0 379.246 2.771 50 0 GFAARM C[C@H]1OCCC[C@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000668293231 565638790 /nfs/dbraw/zinc/63/87/90/565638790.db2.gz WSZGOPQVSJKABJ-MPESAESLSA-N -1 0 396.281 2.891 50 0 GFAARM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3noc4ccccc43)cc2C1 ZINC000656733102 566160416 /nfs/dbraw/zinc/16/04/16/566160416.db2.gz DZHAMJUPYAVPSB-UHFFFAOYSA-N -1 0 377.447 2.595 50 0 GFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1 ZINC000100033245 570265372 /nfs/dbraw/zinc/26/53/72/570265372.db2.gz BUARZOXKKCIUSY-RBUKOAKNSA-N -1 0 391.431 2.544 50 0 GFAARM COc1cccc2c([C@@H](C(=O)[O-])N3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c21 ZINC000020723960 570276798 /nfs/dbraw/zinc/27/67/98/570276798.db2.gz OYZVQBAQYYVHLR-KRWDZBQOSA-N -1 0 389.452 2.855 50 0 GFAARM COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000485513664 570281371 /nfs/dbraw/zinc/28/13/71/570281371.db2.gz FREGXHBLIRTQPX-LSDHHAIUSA-N -1 0 383.400 2.585 50 0 GFAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)[n-]c1=O ZINC000035377936 570347641 /nfs/dbraw/zinc/34/76/41/570347641.db2.gz MHLZAMSKYKGPHA-UHFFFAOYSA-N -1 0 395.444 2.933 50 0 GFAARM CCc1ccc(S(=O)(=O)Nc2cnc(N(CC)CC)c(C(=O)[O-])c2)cc1 ZINC000035397661 570348958 /nfs/dbraw/zinc/34/89/58/570348958.db2.gz XXPWZADLFDSEIC-UHFFFAOYSA-N -1 0 377.466 2.989 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000004884881 570354718 /nfs/dbraw/zinc/35/47/18/570354718.db2.gz XRSYELAVOUCOPY-UHFFFAOYSA-N -1 0 377.466 2.964 50 0 GFAARM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1cccnc1 ZINC000072191545 570366419 /nfs/dbraw/zinc/36/64/19/570366419.db2.gz CVRNKLQPHCLLBE-UHFFFAOYSA-N -1 0 383.433 2.789 50 0 GFAARM CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)COCC(=O)[O-])s1 ZINC000004334497 570368807 /nfs/dbraw/zinc/36/88/07/570368807.db2.gz DODOZHLCUQDXIK-UHFFFAOYSA-N -1 0 377.418 2.590 50 0 GFAARM Cc1nn(-c2ccc(C(=O)N[C@@H](C)[C@H]3CCCO3)cc2)c(C)c1CCC(=O)[O-] ZINC000237481774 570372166 /nfs/dbraw/zinc/37/21/66/570372166.db2.gz ACVVRMGSLVHFKT-IFXJQAMLSA-N -1 0 385.464 2.804 50 0 GFAARM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004536421 570382654 /nfs/dbraw/zinc/38/26/54/570382654.db2.gz XINBRUNUJFZFGH-RTBURBONSA-N -1 0 398.459 2.750 50 0 GFAARM Cc1oc(-c2ccsc2)nc1CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000237668952 570388908 /nfs/dbraw/zinc/38/89/08/570388908.db2.gz DODWYUJHUUPROX-AWEZNQCLSA-N -1 0 378.450 2.736 50 0 GFAARM CN1c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)c3cccc(c23)C1=O ZINC000004660895 570390560 /nfs/dbraw/zinc/39/05/60/570390560.db2.gz KQTYCEJBQKGRKN-UHFFFAOYSA-N -1 0 382.397 2.929 50 0 GFAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000237728509 570391995 /nfs/dbraw/zinc/39/19/95/570391995.db2.gz YYVAZEFPZADDEV-UHFFFAOYSA-N -1 0 391.855 2.930 50 0 GFAARM Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)[O-])c12 ZINC000026421278 570425652 /nfs/dbraw/zinc/42/56/52/570425652.db2.gz RPANQLKFUJMVSR-CQSZACIVSA-N -1 0 385.445 2.773 50 0 GFAARM CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1c(F)cccc1F ZINC000236684791 570427260 /nfs/dbraw/zinc/42/72/60/570427260.db2.gz AOCJPLSBBSONEI-CJNGLKHVSA-N -1 0 382.407 2.778 50 0 GFAARM CC(C)[C@@H]1Cc2c(sc3c2-c2n[n-]c(=S)n2-c2nnc(S)n2-3)CO1 ZINC000005899026 570461224 /nfs/dbraw/zinc/46/12/24/570461224.db2.gz MUGLCSNKZBMAQY-ZETCQYMHSA-N -1 0 378.508 2.938 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000268944434 570488889 /nfs/dbraw/zinc/48/88/89/570488889.db2.gz MBEYIXSPAJKZCP-KSZLIROESA-N -1 0 379.412 2.599 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000268944429 570489082 /nfs/dbraw/zinc/48/90/82/570489082.db2.gz MBEYIXSPAJKZCP-BZSNNMDCSA-N -1 0 379.412 2.599 50 0 GFAARM CC(C)Oc1ccc(-c2nc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)cs2)cc1 ZINC000269037087 570509879 /nfs/dbraw/zinc/50/98/79/570509879.db2.gz PAKAHVHUYSZRNP-OAHLLOKOSA-N -1 0 390.461 2.913 50 0 GFAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)c1 ZINC000032962212 570543001 /nfs/dbraw/zinc/54/30/01/570543001.db2.gz ROQIUDPYBHBMRU-UHFFFAOYSA-N -1 0 390.461 2.639 50 0 GFAARM CCc1c([O-])nc(SCC(=O)N2CCCCC2)n(-c2ccccc2C)c1=O ZINC000008772844 570576017 /nfs/dbraw/zinc/57/60/17/570576017.db2.gz RACDSWBFHRSSBK-UHFFFAOYSA-N -1 0 387.505 2.914 50 0 GFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000262424821 570671719 /nfs/dbraw/zinc/67/17/19/570671719.db2.gz QXLMQWGUWWIXKB-XZJROXQQSA-N -1 0 391.855 2.728 50 0 GFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000262448047 570674524 /nfs/dbraw/zinc/67/45/24/570674524.db2.gz VXGLIGHAQZCKTI-KRWDZBQOSA-N -1 0 399.834 2.521 50 0 GFAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1 ZINC000004483842 570805207 /nfs/dbraw/zinc/80/52/07/570805207.db2.gz PYIZVOIBLJUBDA-RBUKOAKNSA-N -1 0 391.431 2.742 50 0 GFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1 ZINC000101260531 570817419 /nfs/dbraw/zinc/81/74/19/570817419.db2.gz JMQMQHGWAQCANR-ZWKOTPCHSA-N -1 0 380.404 2.764 50 0 GFAARM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)[n-]1 ZINC000031652520 570819334 /nfs/dbraw/zinc/81/93/34/570819334.db2.gz XXPDHFUKAJNPON-UHFFFAOYSA-N -1 0 383.448 2.501 50 0 GFAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccnc3)C2)c(=O)[nH]c1=O ZINC000101767330 570831179 /nfs/dbraw/zinc/83/11/79/570831179.db2.gz AZMPBHPUEHQCDJ-HNNXBMFYSA-N -1 0 380.429 2.532 50 0 GFAARM CCCCn1c([O-])c(C2=NN[C@H](c3cccc4ccccc43)C2)c(=O)[nH]c1=O ZINC000101761963 570832778 /nfs/dbraw/zinc/83/27/78/570832778.db2.gz QUKIDTGLGOGHLY-INIZCTEOSA-N -1 0 378.432 2.634 50 0 GFAARM COC(=O)Cc1c(C)nc2[n-]c(C(c3ccccc3)c3ccccc3)nn2c1=O ZINC000101823657 570835668 /nfs/dbraw/zinc/83/56/68/570835668.db2.gz DJGJAZYNEDJUMC-UHFFFAOYSA-N -1 0 388.427 2.622 50 0 GFAARM Cc1cccc(C)c1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000072143105 570869883 /nfs/dbraw/zinc/86/98/83/570869883.db2.gz WDOVWRHTXADXCY-UHFFFAOYSA-N -1 0 388.489 2.605 50 0 GFAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc3ncccc3c2)c1 ZINC000072147412 570871980 /nfs/dbraw/zinc/87/19/80/570871980.db2.gz QZMBKEUFVGPXKM-UHFFFAOYSA-N -1 0 386.429 2.525 50 0 GFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000071284872 570887867 /nfs/dbraw/zinc/88/78/67/570887867.db2.gz LZBLDEJBRXMYHI-QZTJIDSGSA-N -1 0 380.444 2.954 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)C[C@H]2CC=CCC2)cc1 ZINC000004570425 570892519 /nfs/dbraw/zinc/89/25/19/570892519.db2.gz QSAIKWFLQNXUQZ-RDJZCZTQSA-N -1 0 379.478 2.911 50 0 GFAARM CCCn1nccc1C(=O)N1CCc2[nH]c(-c3cccc(C(=O)[O-])c3)nc2C1 ZINC000299799278 570897709 /nfs/dbraw/zinc/89/77/09/570897709.db2.gz QTKOXCXEMRKEAK-UHFFFAOYSA-N -1 0 379.420 2.580 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004580595 570911155 /nfs/dbraw/zinc/91/11/55/570911155.db2.gz KJNLCHVJMMHBSW-OAHLLOKOSA-N -1 0 389.404 2.667 50 0 GFAARM CCC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)N1CCc2sccc2C1 ZINC000237010750 570943876 /nfs/dbraw/zinc/94/38/76/570943876.db2.gz UIAPKTPJRICGOW-INIZCTEOSA-N -1 0 386.473 2.930 50 0 GFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000136157137 570997493 /nfs/dbraw/zinc/99/74/93/570997493.db2.gz SVXQUEFEPFQFEX-LLVKDONJSA-N -1 0 378.226 2.572 50 0 GFAARM C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C(=O)Nc1ccc(F)cc1)CC2 ZINC000091691039 571025930 /nfs/dbraw/zinc/02/59/30/571025930.db2.gz FVGFHWDSKSEAJE-CYBMUJFWSA-N -1 0 377.416 2.535 50 0 GFAARM CC1(C)CCN(S(=O)(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)CC1 ZINC000095353549 571050879 /nfs/dbraw/zinc/05/08/79/571050879.db2.gz LOMASRQRINGQJM-QGZVFWFLSA-N -1 0 380.510 2.931 50 0 GFAARM CCOc1ccccc1C(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)[O-])C1 ZINC000095366571 571058979 /nfs/dbraw/zinc/05/89/79/571058979.db2.gz ITJMUABGWLKEIR-KSFYIVLOSA-N -1 0 381.428 2.863 50 0 GFAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3ccc4c(c3)ncn4CCO)C2)cc1 ZINC000095372148 571061921 /nfs/dbraw/zinc/06/19/21/571061921.db2.gz CZJJYQFTLYOKEL-GOSISDBHSA-N -1 0 393.443 2.747 50 0 GFAARM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095377027 571065249 /nfs/dbraw/zinc/06/52/49/571065249.db2.gz RYUYMSDVCGCEHL-CQSZACIVSA-N -1 0 397.884 2.648 50 0 GFAARM Cc1cccc(Cl)c1NC(=O)N1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000095383832 571069173 /nfs/dbraw/zinc/06/91/73/571069173.db2.gz JWAZSDQFRWOPQF-LBPRGKRZSA-N -1 0 379.844 2.578 50 0 GFAARM CCOc1c(Br)cc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000262960215 597445558 /nfs/dbraw/zinc/44/55/58/597445558.db2.gz KRDBLRBUTBSXEJ-LBPRGKRZSA-N -1 0 386.242 2.936 50 0 GFAARM Cc1oc(CN(C)C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)cc1C(=O)[O-] ZINC000095425074 599706354 /nfs/dbraw/zinc/70/63/54/599706354.db2.gz XYUWVUVCRLZFHT-CQSZACIVSA-N -1 0 382.482 2.582 50 0 GFAARM O=C([O-])[C@@H]1CN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CCO1 ZINC000299745594 600152163 /nfs/dbraw/zinc/15/21/63/600152163.db2.gz RHCUKNSLFJQNEW-NSHDSACASA-N -1 0 388.367 2.560 50 0 GFAARM COc1ccc(CNC(=O)c2cc(N3CCCC3=O)ccc2F)cc1C(=O)[O-] ZINC000299752688 600830432 /nfs/dbraw/zinc/83/04/32/600830432.db2.gz VBARGIDVMBLCBA-UHFFFAOYSA-N -1 0 386.379 2.589 50 0 GFAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)s1 ZINC000002461657 654436788 /nfs/dbraw/zinc/43/67/88/654436788.db2.gz MOVNUQUFVMGGFY-UHFFFAOYSA-N -1 0 378.435 2.747 50 0 GFAARM COc1ccc(CNC(=O)CCc2ccc3c(c2)OCCCO3)cc1C(=O)[O-] ZINC000299749193 222782841 /nfs/dbraw/zinc/78/28/41/222782841.db2.gz JJYGTDUCQQZJHD-UHFFFAOYSA-N -1 0 385.416 2.804 50 0 GFAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000299749037 222782928 /nfs/dbraw/zinc/78/29/28/222782928.db2.gz IXYXWUXZLZNXFP-LJQANCHMSA-N -1 0 384.432 2.781 50 0 GFAARM O=C1N[C@H](c2ccc(F)cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000001464636 212246728 /nfs/dbraw/zinc/24/67/28/212246728.db2.gz DJGDSNJZNRODIA-JMSVASOKSA-N -1 0 388.342 2.991 50 0 GFAARM O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001441639 212244187 /nfs/dbraw/zinc/24/41/87/212244187.db2.gz PJZRVUSKPCHLPV-LJQANCHMSA-N -1 0 395.440 2.852 50 0 GFAARM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1C ZINC000001230686 212230457 /nfs/dbraw/zinc/23/04/57/212230457.db2.gz ZVRHZDYBPCRVMN-UHFFFAOYSA-N -1 0 390.461 2.976 50 0 GFAARM COc1ccc(OCC(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000001159237 212224159 /nfs/dbraw/zinc/22/41/59/212224159.db2.gz OFJYKJXAPZKDGH-UHFFFAOYSA-N -1 0 394.836 2.939 50 0 GFAARM CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000001088061 212216332 /nfs/dbraw/zinc/21/63/32/212216332.db2.gz IIYSHQJDIJQHLK-HZPDHXFCSA-N -1 0 382.482 2.547 50 0 GFAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000000972697 212200931 /nfs/dbraw/zinc/20/09/31/212200931.db2.gz MSLHBYZBEOEIFP-UHFFFAOYSA-N -1 0 387.465 2.786 50 0 GFAARM O=C([O-])CSc1c2ccc(C(=O)N3CCOCC3)cc2nc2c1CCCC2 ZINC000004035326 220674312 /nfs/dbraw/zinc/67/43/12/220674312.db2.gz SERORLKTPAMSBP-UHFFFAOYSA-N -1 0 386.473 2.763 50 0 GFAARM CSCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000008329232 221037805 /nfs/dbraw/zinc/03/78/05/221037805.db2.gz PAGYUYPIRAOYSF-INIZCTEOSA-N -1 0 398.440 2.741 50 0 GFAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000009157915 221072642 /nfs/dbraw/zinc/07/26/42/221072642.db2.gz WRJIERYQBCMKNR-MOPGFXCFSA-N -1 0 399.491 2.789 50 0 GFAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000009157917 221072909 /nfs/dbraw/zinc/07/29/09/221072909.db2.gz WRJIERYQBCMKNR-RTBURBONSA-N -1 0 399.491 2.789 50 0 GFAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)Nc2cc(OC)ccc2OC)C1=O ZINC000009245843 221076040 /nfs/dbraw/zinc/07/60/40/221076040.db2.gz DQFNTQMEJKZOEU-SSZFMOIBSA-N -1 0 375.425 2.658 50 0 GFAARM O=C([O-])c1cccnc1SCC(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000012376602 221186678 /nfs/dbraw/zinc/18/66/78/221186678.db2.gz VTJVTADWKWNHLK-UHFFFAOYSA-N -1 0 386.458 2.953 50 0 GFAARM O=C(NCCc1ccccc1)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628001 221215426 /nfs/dbraw/zinc/21/54/26/221215426.db2.gz CZVZCDLAFUGVKO-UHFFFAOYSA-N -1 0 387.486 2.916 50 0 GFAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000013196192 221263246 /nfs/dbraw/zinc/26/32/46/221263246.db2.gz YEWNKBYJUGBLOQ-OAHLLOKOSA-N -1 0 379.434 2.507 50 0 GFAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000013258363 221264286 /nfs/dbraw/zinc/26/42/86/221264286.db2.gz NCGGATBBNSRLAU-CQSZACIVSA-N -1 0 382.338 2.508 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)NCc2coc(-c3cccs3)n2)ccc1F ZINC000013456361 221268788 /nfs/dbraw/zinc/26/87/88/221268788.db2.gz NELFXGYXHRLQKT-UHFFFAOYSA-N -1 0 382.394 2.719 50 0 GFAARM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2ccccc2)[C@H](O)C[C@@H]1O ZINC000013470222 221269478 /nfs/dbraw/zinc/26/94/78/221269478.db2.gz FAPQZCFUFGJPFI-UEAHRUCRSA-N -1 0 390.476 2.542 50 0 in-vitro GFAARM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000013849427 221291813 /nfs/dbraw/zinc/29/18/13/221291813.db2.gz QQGZZSSHGQKKDU-UHFFFAOYSA-N -1 0 397.294 2.881 50 0 GFAARM COCC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000015729307 221341590 /nfs/dbraw/zinc/34/15/90/221341590.db2.gz QGKRLNDFBDXAOE-UHFFFAOYSA-N -1 0 391.474 2.990 50 0 GFAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)N3CCCC3)cs2)cc1 ZINC000016848570 221371688 /nfs/dbraw/zinc/37/16/88/221371688.db2.gz XWPOLHXERKNAFI-UHFFFAOYSA-N -1 0 379.507 2.807 50 0 GFAARM O=C([O-])CCCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000017079297 221377482 /nfs/dbraw/zinc/37/74/82/221377482.db2.gz ROHUMJVJXANWHQ-UHFFFAOYSA-N -1 0 388.445 2.631 50 0 GFAARM Cc1ccc(NC(=O)c2c(NC(=O)COCC(=O)[O-])sc3c2CCC3)cc1 ZINC000017079293 221377852 /nfs/dbraw/zinc/37/78/52/221377852.db2.gz GGVBKOBIJGDXJB-UHFFFAOYSA-N -1 0 388.445 2.837 50 0 GFAARM COc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)Nc1ccccc1C ZINC000017945661 221384730 /nfs/dbraw/zinc/38/47/30/221384730.db2.gz ULCKPQVNQVQHDI-UHFFFAOYSA-N -1 0 397.456 2.986 50 0 GFAARM Cc1cc(C)nc(-n2[n-]c3[nH]c(C)c(Cc4ccc(Cl)cc4)c(=O)c3c2=O)n1 ZINC000018063679 221385875 /nfs/dbraw/zinc/38/58/75/221385875.db2.gz KCRSBDCWGKCRRB-UHFFFAOYSA-N -1 0 395.850 2.967 50 0 GFAARM CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000095390252 533440047 /nfs/dbraw/zinc/44/00/47/533440047.db2.gz WEAKDCRWKAHODA-KRWDZBQOSA-N -1 0 387.457 2.808 50 0 GFAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000032586049 221723473 /nfs/dbraw/zinc/72/34/73/221723473.db2.gz WKUOYQZUWLBISW-UHFFFAOYSA-N -1 0 376.768 2.841 50 0 GFAARM Cc1cccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c3=4)n2)c1 ZINC000049002652 221992629 /nfs/dbraw/zinc/99/26/29/221992629.db2.gz ZEPNXIUTZSOGPU-IAGOWNOFSA-N -1 0 388.387 2.538 50 0 GFAARM O=C1N[C@@]([N-]c2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000049547562 222000357 /nfs/dbraw/zinc/00/03/57/222000357.db2.gz QNGRPGWRZDFKKV-CQSZACIVSA-N -1 0 385.733 2.757 50 0 GFAARM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000063879662 222069136 /nfs/dbraw/zinc/06/91/36/222069136.db2.gz BBUMELVYILCHIY-UHFFFAOYSA-N -1 0 377.846 2.825 50 0 GFAARM CCC[C@@H](C)C(=O)N1CCc2c(c(C(=O)[O-])nn2Cc2ccc(OC)cc2)C1 ZINC000067934489 222167133 /nfs/dbraw/zinc/16/71/33/222167133.db2.gz KSXVQZPLRIRWPM-CQSZACIVSA-N -1 0 385.464 2.959 50 0 GFAARM CCC[C@H](C)C(=O)N1CCc2c(c(C(=O)[O-])nn2Cc2ccc(OC)cc2)C1 ZINC000067934490 222168065 /nfs/dbraw/zinc/16/80/65/222168065.db2.gz KSXVQZPLRIRWPM-AWEZNQCLSA-N -1 0 385.464 2.959 50 0 GFAARM COc1ccc2c(C)cc(N3CCC[C@H](Cn4cc(C(=O)[O-])nn4)C3)nc2c1 ZINC000067955848 222169130 /nfs/dbraw/zinc/16/91/30/222169130.db2.gz ZAVISBILIDDGKQ-AWEZNQCLSA-N -1 0 381.436 2.758 50 0 GFAARM COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000070666261 222176513 /nfs/dbraw/zinc/17/65/13/222176513.db2.gz WKFDHQGKOFCKOR-UHFFFAOYSA-N -1 0 382.372 2.843 50 0 GFAARM CC(C)C[C@@H](NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O)C(=O)[O-] ZINC000071332974 222181864 /nfs/dbraw/zinc/18/18/64/222181864.db2.gz RISRROMVWBINST-LJQANCHMSA-N -1 0 393.443 2.679 50 0 GFAARM COc1cc(S(=O)(=O)N2C[C@@H](C)c3ccccc32)cc(C(=O)[O-])c1OC ZINC000071818117 222197271 /nfs/dbraw/zinc/19/72/71/222197271.db2.gz XARANVNKTUATNH-LLVKDONJSA-N -1 0 377.418 2.714 50 0 GFAARM Cc1ccc(CN2CCN(Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)CC2=O)cc1 ZINC000072133085 222211421 /nfs/dbraw/zinc/21/14/21/222211421.db2.gz DDFXVXQZEPLGTR-KRWDZBQOSA-N -1 0 382.460 2.691 50 0 GFAARM CCn1c(SCC(=O)[O-])nnc1[C@@H](NC(=O)c1ccccc1F)C(C)C ZINC000072328142 222228809 /nfs/dbraw/zinc/22/88/09/222228809.db2.gz DRDAHRFSTCGDKF-AWEZNQCLSA-N -1 0 380.445 2.741 50 0 GFAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@H]1OCCc2ccsc21 ZINC000089346574 222328261 /nfs/dbraw/zinc/32/82/61/222328261.db2.gz ADBXTJHCFBKPNH-GFCCVEGCSA-N -1 0 375.475 2.709 50 0 GFAARM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1c(F)cccc1-n1cccn1 ZINC000078789942 222296439 /nfs/dbraw/zinc/29/64/39/222296439.db2.gz LLAOCXQZTLXVPX-UHFFFAOYSA-N -1 0 381.410 2.880 50 0 GFAARM O=C([O-])[C@@H]1CCN(C(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000269209480 526277618 /nfs/dbraw/zinc/27/76/18/526277618.db2.gz VDLUMTZKBXNPOZ-SECBINFHSA-N -1 0 383.267 2.925 50 0 GFAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCCc2c(F)cc(F)cc21 ZINC000057117835 536826267 /nfs/dbraw/zinc/82/62/67/536826267.db2.gz RAHLOEAQEYQQER-UHFFFAOYSA-N -1 0 397.399 2.742 50 0 GFAARM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(OC)cc1Cl ZINC000005403230 551097408 /nfs/dbraw/zinc/09/74/08/551097408.db2.gz MZPXZWIUWAJPFV-UHFFFAOYSA-N -1 0 382.825 2.653 50 0 GFAARM Cc1nc2sc([C@H](c3ccccc3Cl)N3CCN(C)CC3)c([O-])n2n1 ZINC000022468400 551117933 /nfs/dbraw/zinc/11/79/33/551117933.db2.gz WUSPQRRNTCRFMG-AWEZNQCLSA-N -1 0 377.901 2.795 50 0 GFAARM Cc1c(Br)c2ccccc2n1CC(=O)[N-]S(=O)(=O)CCCF ZINC000170649656 551637157 /nfs/dbraw/zinc/63/71/57/551637157.db2.gz YAPHLRYTYLKXLL-UHFFFAOYSA-N -1 0 391.262 2.518 50 0 GFAARM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)c(Br)o1 ZINC000230235452 553065011 /nfs/dbraw/zinc/06/50/11/553065011.db2.gz KSUZZVWBRITFSP-DTWKUNHWSA-N -1 0 378.244 2.694 50 0 GFAARM COc1ccc(Br)c(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000299742253 563390728 /nfs/dbraw/zinc/39/07/28/563390728.db2.gz AWBLRNWIIOJYHV-LBPRGKRZSA-N -1 0 386.242 2.554 50 0 GFAARM COc1ccc2nc(SCC(=O)[O-])c(CN3CCc4nc[nH]c4C3)cc2c1 ZINC000097173055 570237845 /nfs/dbraw/zinc/23/78/45/570237845.db2.gz NQJITZSTFRGDJS-UHFFFAOYSA-N -1 0 384.461 2.702 50 0 GFAARM CCC(NCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000020330721 570252295 /nfs/dbraw/zinc/25/22/95/570252295.db2.gz VZFUBBRTBOWUBM-ISLYRVAYSA-N -1 0 397.406 2.871 50 0 GFAARM CC(C)(C)n1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(-c2ccccc2Cl)n1 ZINC000236775823 570260772 /nfs/dbraw/zinc/26/07/72/570260772.db2.gz YWNWQNFCASVDNP-HNNXBMFYSA-N -1 0 391.855 2.884 50 0 GFAARM Cc1c(Cl)cccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000100033301 570265463 /nfs/dbraw/zinc/26/54/63/570265463.db2.gz JSNCTMPYZZLIKS-IAGOWNOFSA-N -1 0 397.822 2.580 50 0 GFAARM CCn1c(=O)c(C(=O)Nc2c(=O)[nH]c3ccccc3c2O)c([O-])c2ccccc21 ZINC000100709262 570274987 /nfs/dbraw/zinc/27/49/87/570274987.db2.gz UEIHKCOBJNCKBG-UHFFFAOYSA-N -1 0 391.383 2.526 50 0 GFAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000020722815 570276497 /nfs/dbraw/zinc/27/64/97/570276497.db2.gz QJVABMADZQATDM-CQSZACIVSA-N -1 0 381.226 2.853 50 0 GFAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)/C=C/c1ccc2ccccc2n1 ZINC000006558444 570277071 /nfs/dbraw/zinc/27/70/71/570277071.db2.gz MMODVSPLJCBPFD-OUKQBFOZSA-N -1 0 390.395 2.756 50 0 GFAARM CSCC[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000020761794 570282298 /nfs/dbraw/zinc/28/22/98/570282298.db2.gz RBIVSGQDCLUZKP-LBPRGKRZSA-N -1 0 385.283 2.726 50 0 GFAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1cccc(O)c1 ZINC000012324138 570314730 /nfs/dbraw/zinc/31/47/30/570314730.db2.gz RYICRCHGZJJZQC-UHFFFAOYSA-N -1 0 389.458 2.831 50 0 GFAARM CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2C)CC1 ZINC000032946878 570320433 /nfs/dbraw/zinc/32/04/33/570320433.db2.gz DLMWTBHLWYLYLJ-UHFFFAOYSA-N -1 0 381.432 2.614 50 0 GFAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000022903245 570333147 /nfs/dbraw/zinc/33/31/47/570333147.db2.gz KWMLDCKXDJARHN-UHFFFAOYSA-N -1 0 388.401 2.561 50 0 GFAARM COc1ccc(-c2nnc(CCC(=O)N(C)Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000034762754 570333177 /nfs/dbraw/zinc/33/31/77/570333177.db2.gz GMNINCHYKNFADQ-UHFFFAOYSA-N -1 0 378.432 2.844 50 0 GFAARM O=C(NCCc1ccccn1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000023175211 570347721 /nfs/dbraw/zinc/34/77/21/570347721.db2.gz CHLZVQOBNLGUPM-UHFFFAOYSA-N -1 0 399.447 2.994 50 0 GFAARM CCCCN(Cc1ccccc1)c1ncc(NS(C)(=O)=O)cc1C(=O)[O-] ZINC000035397571 570349079 /nfs/dbraw/zinc/34/90/79/570349079.db2.gz IETWWHPHAAWWKZ-UHFFFAOYSA-N -1 0 377.466 2.958 50 0 GFAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000004325018 570368167 /nfs/dbraw/zinc/36/81/67/570368167.db2.gz WFSYAAQNMJXULP-UHFFFAOYSA-N -1 0 377.282 2.632 50 0 GFAARM CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000006326390 570389574 /nfs/dbraw/zinc/38/95/74/570389574.db2.gz PQJAEOXSIUPWSZ-UHFFFAOYSA-N -1 0 390.461 2.644 50 0 GFAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237686623 570389675 /nfs/dbraw/zinc/38/96/75/570389675.db2.gz CZCDOLUXUOCKDV-UHFFFAOYSA-N -1 0 378.425 2.963 50 0 GFAARM Cc1ccc(CN2C[C@H](C(=O)N[C@H](CC(=O)[O-])c3cccs3)CC2=O)cc1 ZINC000237730745 570391894 /nfs/dbraw/zinc/39/18/94/570391894.db2.gz URSCFUGANVEQRC-HZPDHXFCSA-N -1 0 386.473 2.737 50 0 GFAARM Cc1ccc(CN2C[C@H](C(=O)N[C@@H](CC(=O)[O-])c3cccs3)CC2=O)cc1 ZINC000237730279 570391936 /nfs/dbraw/zinc/39/19/36/570391936.db2.gz URSCFUGANVEQRC-CVEARBPZSA-N -1 0 386.473 2.737 50 0 GFAARM Cc1cc(-n2cncn2)ccc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237805413 570400230 /nfs/dbraw/zinc/40/02/30/570400230.db2.gz ODPMEECYBWFLKO-UHFFFAOYSA-N -1 0 390.443 2.834 50 0 GFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1c(F)cccc1F ZINC000004749155 570402492 /nfs/dbraw/zinc/40/24/92/570402492.db2.gz MIHZBDDBHKMCSH-UHFFFAOYSA-N -1 0 390.371 2.808 50 0 GFAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F ZINC000123761770 570418696 /nfs/dbraw/zinc/41/86/96/570418696.db2.gz HLUUQBKJUOVPKI-RYUDHWBXSA-N -1 0 386.376 2.501 50 0 GFAARM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000005126512 570421087 /nfs/dbraw/zinc/42/10/87/570421087.db2.gz SUDYCSMXIWIQEK-UHFFFAOYSA-N -1 0 392.477 2.987 50 0 GFAARM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000237734201 570427183 /nfs/dbraw/zinc/42/71/83/570427183.db2.gz MMTHMLLIMQQASP-UXHICEINSA-N -1 0 394.471 2.546 50 0 GFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000005074143 570428316 /nfs/dbraw/zinc/42/83/16/570428316.db2.gz UCRLHEGXDVZBKA-KRWDZBQOSA-N -1 0 378.384 2.958 50 0 GFAARM O=C1COc2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2N1 ZINC000025694848 570434283 /nfs/dbraw/zinc/43/42/83/570434283.db2.gz QBDRWZCJZZNTIS-UHFFFAOYSA-N -1 0 389.252 2.642 50 0 GFAARM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(Cl)cc2F)C1=O ZINC000028019190 570450045 /nfs/dbraw/zinc/45/00/45/570450045.db2.gz UYBDOWVFJHNQDD-SFHVURJKSA-N -1 0 375.787 2.981 50 0 GFAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000136108240 570472122 /nfs/dbraw/zinc/47/21/22/570472122.db2.gz BREKILRDFPTFFU-NHYWBVRUSA-N -1 0 399.274 2.921 50 0 GFAARM Cc1cc(=O)n2nc(Cc3nc(-c4ccccc4C(F)(F)F)no3)[n-]c2n1 ZINC000032576439 570511186 /nfs/dbraw/zinc/51/11/86/570511186.db2.gz BIHKZOVJTNXWKY-UHFFFAOYSA-N -1 0 376.298 2.798 50 0 GFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4c(C)cccc4C)c(=O)c2=3)cc1 ZINC000002787157 570514556 /nfs/dbraw/zinc/51/45/56/570514556.db2.gz SPEMQPCIQJLGQZ-HKUYNNGSSA-N -1 0 391.431 2.544 50 0 GFAARM CC[C@@H](C)[C@H](NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1)C(=O)[O-] ZINC000006658596 570522508 /nfs/dbraw/zinc/52/25/08/570522508.db2.gz HNUPIHOETWAZJL-XTUQQUOLSA-N -1 0 399.491 2.818 50 0 GFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 ZINC000001110181 570534687 /nfs/dbraw/zinc/53/46/87/570534687.db2.gz UMIUPTYUPYTYTA-ROUUACIJSA-N -1 0 381.432 2.841 50 0 GFAARM O=C([O-])c1cccc(OCc2nnnn2-c2ccc(Br)cc2)c1 ZINC000006759068 570573990 /nfs/dbraw/zinc/57/39/90/570573990.db2.gz YAFPDJOYMYMCTQ-UHFFFAOYSA-N -1 0 375.182 2.702 50 0 GFAARM O=C([O-])[C@@H]1CCCN1CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000262603559 570678707 /nfs/dbraw/zinc/67/87/07/570678707.db2.gz AHKRMOLLHWCPFL-RXVVDRJESA-N -1 0 391.471 2.965 50 0 GFAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)NCc1ccc(Cl)cc1 ZINC000006918591 570704005 /nfs/dbraw/zinc/70/40/05/570704005.db2.gz ZYHYVFDSGCLQCE-UHFFFAOYSA-N -1 0 395.893 2.860 50 0 GFAARM COc1cc(NC(=O)c2c([O-])c3sccc3n(C)c2=O)cc(OC)c1OC ZINC000065215366 570733884 /nfs/dbraw/zinc/73/38/84/570733884.db2.gz TXVZTFSBXVODFO-UHFFFAOYSA-N -1 0 390.417 2.584 50 0 GFAARM COc1cc(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000261818632 570790976 /nfs/dbraw/zinc/79/09/76/570790976.db2.gz NGBABIDVQKOPSX-CYBMUJFWSA-N -1 0 389.370 2.892 50 0 GFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1OC ZINC000101169125 570815234 /nfs/dbraw/zinc/81/52/34/570815234.db2.gz LJEKQFDDYGNFRU-OALUTQOASA-N -1 0 394.431 2.814 50 0 GFAARM Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)[O-] ZINC000004699210 570843747 /nfs/dbraw/zinc/84/37/47/570843747.db2.gz HNSLWOMUQSRCFE-UHFFFAOYSA-N -1 0 383.433 2.708 50 0 GFAARM COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(O)=C23)c1OC ZINC000102545318 570850700 /nfs/dbraw/zinc/85/07/00/570850700.db2.gz NCPIHPKANQWILO-LPHOPBHVSA-N -1 0 380.400 2.613 50 0 GFAARM O=C([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1cnn(-c2ccccc2)c1 ZINC000170597116 570855257 /nfs/dbraw/zinc/85/52/57/570855257.db2.gz OQDAZQLIAOPBLK-UHFFFAOYSA-N -1 0 392.440 2.782 50 0 GFAARM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000170626161 570883398 /nfs/dbraw/zinc/88/33/98/570883398.db2.gz QEWSHZLUGWXGFZ-UHFFFAOYSA-N -1 0 382.388 2.828 50 0 GFAARM C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000089920493 570919632 /nfs/dbraw/zinc/91/96/32/570919632.db2.gz XOZBABYOXUVRSL-CBAPKCEASA-N -1 0 375.650 2.909 50 0 GFAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000016294362 570921487 /nfs/dbraw/zinc/92/14/87/570921487.db2.gz QADZZZIOWJHBAT-ZIAGYGMSSA-N -1 0 394.855 2.642 50 0 GFAARM CCCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)[O-] ZINC000002117947 570952931 /nfs/dbraw/zinc/95/29/31/570952931.db2.gz OCTCTXWGCDTEOX-MRXNPFEDSA-N -1 0 387.432 2.729 50 0 GFAARM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000232756913 571003257 /nfs/dbraw/zinc/00/32/57/571003257.db2.gz MVYPYIUVWYRYHQ-HNNXBMFYSA-N -1 0 380.491 2.562 50 0 GFAARM CCn1c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2sc1=O ZINC000045960829 571006127 /nfs/dbraw/zinc/00/61/27/571006127.db2.gz ILLPDRTWKMOEGL-UHFFFAOYSA-N -1 0 394.474 2.901 50 0 GFAARM CCCn1nccc1S(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095368003 571059480 /nfs/dbraw/zinc/05/94/80/571059480.db2.gz JBTPEVWUEZMMOR-MRXNPFEDSA-N -1 0 377.466 2.560 50 0 GFAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N[C@H](C)c2ccccc2)c1OC ZINC000003434775 600168756 /nfs/dbraw/zinc/16/87/56/600168756.db2.gz QZMQAMWXOTYECC-WTNCMQEWSA-N -1 0 391.445 2.841 50 0 GFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1OC ZINC000299741687 600533102 /nfs/dbraw/zinc/53/31/02/600533102.db2.gz ADIJIUFUQBNASN-KBMXLJTQSA-N -1 0 379.453 2.931 50 0 GFAARM COC(=O)c1coc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)[nH]n2)c1 ZINC000095444335 655029245 /nfs/dbraw/zinc/02/92/45/655029245.db2.gz PRUNZNSAQASTRO-UHFFFAOYSA-N -1 0 387.826 2.972 50 0 GFAARM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1S(C)(=O)=O ZINC000095466309 655029673 /nfs/dbraw/zinc/02/96/73/655029673.db2.gz VXOXFCHQOIFNAW-UHFFFAOYSA-N -1 0 377.846 2.992 50 0 GFAARM O=C(/C=C\c1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000098054810 655039009 /nfs/dbraw/zinc/03/90/09/655039009.db2.gz JWJPLHOQALGDRB-BAQGIRSFSA-N -1 0 379.821 2.630 50 0 GFAARM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)c(Br)cn1 ZINC000888096825 663178098 /nfs/dbraw/zinc/17/80/98/663178098.db2.gz NGIWGKFJXLRZGB-UHFFFAOYSA-N -1 0 399.192 2.706 50 0 GFAARM