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(CN1CCCCC1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000626313 557022807 /nfs/dbraw/zinc/02/28/07/557022807.db2.gz SECLFHLRLDATTQ-VWLOTQADSA-N 0 1 419.613 5.395 50 0 HKAAMN O=C(CN1CCCCC1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000626315 557022701 /nfs/dbraw/zinc/02/27/01/557022701.db2.gz SECLFHLRLDATTQ-RUZDIDTESA-N 0 1 419.613 5.395 50 0 HKAAMN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc2cccnc21 ZINC000000630454 557026191 /nfs/dbraw/zinc/02/61/91/557026191.db2.gz DKSKJESJQWHBTP-UHFFFAOYSA-N 0 1 417.515 5.312 50 0 HKAAMN O=C(COc1ccc(Cl)cc1Cl)c1cc(-c2c(O)ccc3ccccc32)n[nH]1 ZINC000000634825 557029174 /nfs/dbraw/zinc/02/91/74/557029174.db2.gz LUAYERCVLKMVPV-UHFFFAOYSA-N 0 1 413.260 5.504 50 0 HKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2S[C@@H](c2ccccc2)C1 ZINC000000688065 557059697 /nfs/dbraw/zinc/05/96/97/557059697.db2.gz OPNAJNYFSYMAAL-JOCHJYFZSA-N 0 1 413.498 6.165 50 0 HKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2S[C@H](c2ccccc2)C1 ZINC000000688066 557059711 /nfs/dbraw/zinc/05/97/11/557059711.db2.gz OPNAJNYFSYMAAL-QFIPXVFZSA-N 0 1 413.498 6.165 50 0 HKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Oc2cccc3ccccc32)cc1 ZINC000000722010 571041247 /nfs/dbraw/zinc/04/12/47/571041247.db2.gz JSTWCDZAKWGXPI-UHFFFAOYSA-N 0 1 417.486 5.168 50 0 HKAAMN Brc1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1 ZINC000000831681 568507968 /nfs/dbraw/zinc/50/79/68/568507968.db2.gz MFHBQMIVUOQJRP-UHFFFAOYSA-N 0 1 415.294 6.050 50 0 HKAAMN COc1ccc([C@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000000843917 557098394 /nfs/dbraw/zinc/09/83/94/557098394.db2.gz NFJLRSSYKSEDGA-OAQYLSRUSA-N 0 1 422.431 5.066 50 0 HKAAMN COc1ccc([C@@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000000843918 557098314 /nfs/dbraw/zinc/09/83/14/557098314.db2.gz NFJLRSSYKSEDGA-NRFANRHFSA-N 0 1 422.431 5.066 50 0 HKAAMN O=C1CCCc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c21 ZINC000000844080 568698865 /nfs/dbraw/zinc/69/88/65/568698865.db2.gz QRRWISCUFWINHN-UHFFFAOYSA-N 0 1 410.278 5.059 50 0 HKAAMN O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000000846072 568710523 /nfs/dbraw/zinc/71/05/23/568710523.db2.gz JREAHNRUOIDLPA-UHFFFAOYSA-N 0 1 413.454 6.081 50 0 HKAAMN O=C(Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 ZINC000000847739 557099862 /nfs/dbraw/zinc/09/98/62/557099862.db2.gz TUNDEEVSAKNCSZ-UHFFFAOYSA-N 0 1 421.305 5.047 50 0 HKAAMN O=c1oc2cc(O)ccc2cc1-c1nnc(Nc2ccc(Cl)cc2Cl)s1 ZINC000000856304 568713114 /nfs/dbraw/zinc/71/31/14/568713114.db2.gz BAIBPOJXVQJGRC-UHFFFAOYSA-N 0 1 406.250 5.068 50 0 biogenic HKAAMN c1ccc(-c2nc3cc(Cc4ccc5nc(-c6ccccn6)[nH]c5c4)ccc3[nH]2)nc1 ZINC000000911999 557116544 /nfs/dbraw/zinc/11/65/44/557116544.db2.gz WCUAMDHYUFFZGR-UHFFFAOYSA-N 0 1 402.461 5.154 50 0 HKAAMN c1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccccn6)[nH]c5c4)cc3[nH]2)nc1 ZINC000000911999 557116548 /nfs/dbraw/zinc/11/65/48/557116548.db2.gz WCUAMDHYUFFZGR-UHFFFAOYSA-N 0 1 402.461 5.154 50 0 HKAAMN CCc1cc(-c2[nH]nc(C(F)(F)F)c2-c2nc3ccccc3s2)c(O)cc1O ZINC000000934320 568751675 /nfs/dbraw/zinc/75/16/75/568751675.db2.gz ILWTYEOJAHSICG-UHFFFAOYSA-N 0 1 405.401 5.346 50 0 HKAAMN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)N2CCCCC2)c1C ZINC000000935767 568751247 /nfs/dbraw/zinc/75/12/47/568751247.db2.gz IPUMJBKOPIFZHC-NRFANRHFSA-N 0 1 412.530 5.925 50 0 HKAAMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccn2)N2CCC(C)CC2)c1C ZINC000000936770 568751489 /nfs/dbraw/zinc/75/14/89/568751489.db2.gz HSTZBRUOWGXBBL-QHCPKHFHSA-N 0 1 419.594 5.834 50 0 HKAAMN COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CCc3ccccc3C2)cc1 ZINC000000938001 568752091 /nfs/dbraw/zinc/75/20/91/568752091.db2.gz FAIGVFDSKRSPHB-UHFFFAOYSA-N 0 1 406.551 5.184 50 0 HKAAMN C[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1 ZINC000000944101 568754219 /nfs/dbraw/zinc/75/42/19/568754219.db2.gz GTPLEWHXSKNJIB-NSHDSACASA-N 0 1 410.322 5.665 50 0 HKAAMN C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1 ZINC000000944102 568754215 /nfs/dbraw/zinc/75/42/15/568754215.db2.gz GTPLEWHXSKNJIB-LLVKDONJSA-N 0 1 410.322 5.665 50 0 HKAAMN S=c1[nH]nc(CCn2cnc(-c3ccccc3)c2-c2ccccc2)n1-c1ccccc1 ZINC000000984803 557131792 /nfs/dbraw/zinc/13/17/92/557131792.db2.gz ZUNUWBRBUCCOAX-UHFFFAOYSA-N 0 1 423.545 5.703 50 0 HKAAMN Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 ZINC000000991962 557135414 /nfs/dbraw/zinc/13/54/14/557135414.db2.gz PBNBZGYMHOIVRE-UHFFFAOYSA-N 0 1 408.306 5.895 50 0 HKAAMN O=C1S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccc(Cl)cc1 ZINC000001011718 557142018 /nfs/dbraw/zinc/14/20/18/557142018.db2.gz MYTMWQCAMDTTEW-MLPAPPSSSA-N 0 1 400.670 5.593 50 0 HKAAMN CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1c(Cl)cccc1Cl ZINC000001019597 557143580 /nfs/dbraw/zinc/14/35/80/557143580.db2.gz ZZZSLPCOWAYEOF-GOSISDBHSA-N 0 1 402.281 5.195 50 0 HKAAMN CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1c(Cl)cccc1Cl ZINC000001019598 557143566 /nfs/dbraw/zinc/14/35/66/557143566.db2.gz ZZZSLPCOWAYEOF-SFHVURJKSA-N 0 1 402.281 5.195 50 0 HKAAMN O=S(=O)(Nc1ccc(Br)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000001027558 568763894 /nfs/dbraw/zinc/76/38/94/568763894.db2.gz VPCCPCOXSNMWOY-UHFFFAOYSA-N 0 1 415.523 5.210 50 0 HKAAMN CC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000001027767 557145724 /nfs/dbraw/zinc/14/57/24/557145724.db2.gz KGOVHTHIBLAJMO-UHFFFAOYSA-N 0 1 413.564 5.716 50 0 HKAAMN CC(=O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000001027867 557145542 /nfs/dbraw/zinc/14/55/42/557145542.db2.gz HASMYTKKVYZUJF-UHFFFAOYSA-N 0 1 409.891 5.211 50 0 HKAAMN CC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C)c(Cl)cc1C ZINC000001027875 557145626 /nfs/dbraw/zinc/14/56/26/557145626.db2.gz LRYNXXJSVNOBFJ-UHFFFAOYSA-N 0 1 419.955 5.689 50 0 HKAAMN CC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000001027916 557145559 /nfs/dbraw/zinc/14/55/59/557145559.db2.gz HJMKNGJNTBYLTI-UHFFFAOYSA-N 0 1 405.928 5.380 50 0 HKAAMN Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)c1-c1nc2ccccc2s1 ZINC000001028598 557145975 /nfs/dbraw/zinc/14/59/75/557145975.db2.gz UJPDPAGWXRMEKU-UHFFFAOYSA-N 0 1 420.968 5.787 50 0 HKAAMN O=c1[nH]nc(SCc2c(F)cccc2Cl)n1-c1ccccc1C(F)(F)F ZINC000001030394 557146918 /nfs/dbraw/zinc/14/69/18/557146918.db2.gz IXARAYUOYQAWDW-UHFFFAOYSA-N 0 1 403.788 5.077 50 0 HKAAMN CCc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1 ZINC000001032590 557147872 /nfs/dbraw/zinc/14/78/72/557147872.db2.gz BFXSRHRVBVFAEH-UHFFFAOYSA-N 0 1 422.333 6.149 50 0 HKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1 ZINC000001040727 557153108 /nfs/dbraw/zinc/15/31/08/557153108.db2.gz FJZSSJHMIFWQIK-UHFFFAOYSA-N 0 1 408.306 5.895 50 0 HKAAMN FC(F)(F)c1ccc2nc(SCc3cc(Cl)cc4c3OCOC4)[nH]c2c1 ZINC000001040752 557153187 /nfs/dbraw/zinc/15/31/87/557153187.db2.gz BQYYFPNXCZZFTJ-UHFFFAOYSA-N 0 1 400.809 5.394 50 0 HKAAMN Cc1nc(SCC(=O)c2ccc(Cl)cc2)[nH]c(=O)c1Oc1ccc(Cl)cc1 ZINC000001047894 557157468 /nfs/dbraw/zinc/15/74/68/557157468.db2.gz UIJWHHXRHCELPZ-UHFFFAOYSA-N 0 1 421.305 5.565 50 0 HKAAMN Cc1nc(-c2ccc(C(F)(F)F)cc2)[nH]c(=O)c1Oc1cccc(C(F)(F)F)c1 ZINC000001047921 557157459 /nfs/dbraw/zinc/15/74/59/557157459.db2.gz MQBCUWBGVAMRJH-UHFFFAOYSA-N 0 1 414.305 5.575 50 0 HKAAMN Cc1nc(-c2ccc(C(F)(F)F)cc2)[nH]c(=O)c1Oc1ccc(Cl)cc1Cl ZINC000001047922 557157464 /nfs/dbraw/zinc/15/74/64/557157464.db2.gz DAMRKTJHSDKMCI-UHFFFAOYSA-N 0 1 415.198 5.863 50 0 HKAAMN FC(F)(F)c1ccc2nc(SCc3nc(-c4ccc(Cl)cc4)no3)[nH]c2c1 ZINC000001048579 557157887 /nfs/dbraw/zinc/15/78/87/557157887.db2.gz NNHTVSDBNBFBOI-UHFFFAOYSA-N 0 1 410.808 5.577 50 0 HKAAMN O=C1C(=Nc2ccccc2)C[C@@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000001060517 557163719 /nfs/dbraw/zinc/16/37/19/557163719.db2.gz RLHPSKHRDKGWAZ-NRFANRHFSA-N 0 1 405.295 5.533 50 0 HKAAMN O=C1C(=Nc2ccccc2)C[C@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000001060519 557163734 /nfs/dbraw/zinc/16/37/34/557163734.db2.gz RLHPSKHRDKGWAZ-OAQYLSRUSA-N 0 1 405.295 5.533 50 0 HKAAMN CC(C)(C)c1cc(S(=O)(=O)Nc2cnc3ccccc3c2)cc(C(C)(C)C)c1F ZINC000001060742 557163739 /nfs/dbraw/zinc/16/37/39/557163739.db2.gz MMGQGMWVJSZCSR-UHFFFAOYSA-N 0 1 414.546 5.770 50 0 biogenic HKAAMN COc1ccc(Cl)cc1CN1CCC(CNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000001070703 557169392 /nfs/dbraw/zinc/16/93/92/557169392.db2.gz GMDNRMMSOLFPNJ-UHFFFAOYSA-N 0 1 422.356 5.036 50 0 HKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000001074023 557171966 /nfs/dbraw/zinc/17/19/66/557171966.db2.gz JIEBDMWZGRVLQL-UHFFFAOYSA-N 0 1 408.523 5.172 50 0 HKAAMN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000001110807 557183552 /nfs/dbraw/zinc/18/35/52/557183552.db2.gz STEHLMSNAQDCGI-UHFFFAOYSA-N 0 1 421.305 5.047 50 0 HKAAMN COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(Cl)c1Cl ZINC000001131966 557198768 /nfs/dbraw/zinc/19/87/68/557198768.db2.gz BMMDQUADMRVHQH-UHFFFAOYSA-N 0 1 408.306 5.470 50 0 HKAAMN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000001138751 557202722 /nfs/dbraw/zinc/20/27/22/557202722.db2.gz IUOAOYQGHSRMSV-UHFFFAOYSA-N 0 1 404.624 5.466 50 0 HKAAMN COc1ccc2nc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2c1 ZINC000001143240 557205794 /nfs/dbraw/zinc/20/57/94/557205794.db2.gz OMSGZRYESZNADP-UHFFFAOYSA-N 0 1 405.479 5.095 50 0 HKAAMN COc1cc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)cc(OC)c1OC ZINC000001147108 557208485 /nfs/dbraw/zinc/20/84/85/557208485.db2.gz GXYPBEXWRWJUKF-UHFFFAOYSA-N 0 1 402.450 5.142 50 0 biogenic HKAAMN O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000001178845 132240775 /nfs/dbraw/zinc/24/07/75/132240775.db2.gz CYMMKJJSFDUJLM-PJQLUOCWSA-N 0 1 416.289 5.146 50 0 HKAAMN O=C1S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)N1Cc1ccccc1Cl ZINC000001180069 557229933 /nfs/dbraw/zinc/22/99/33/557229933.db2.gz OJFNBFFRYCGBBH-NSIKDUERSA-N 0 1 414.697 5.589 50 0 HKAAMN COc1ccc([C@@H]2CC(=Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1OC ZINC000001199607 557238490 /nfs/dbraw/zinc/23/84/90/557238490.db2.gz QQKWDFATPGIASE-QHCPKHFHSA-N 0 1 414.505 5.405 50 0 HKAAMN COc1ccc([C@H]2CC(=Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1OC ZINC000001199610 557238477 /nfs/dbraw/zinc/23/84/77/557238477.db2.gz QQKWDFATPGIASE-HSZRJFAPSA-N 0 1 414.505 5.405 50 0 HKAAMN COc1ccc([C@@H]2CC(=Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)cc1OC ZINC000001208651 557242429 /nfs/dbraw/zinc/24/24/29/557242429.db2.gz JDSIXGRMKMMLBP-QHCPKHFHSA-N 0 1 414.505 5.405 50 0 HKAAMN COc1ccc([C@H]2CC(=Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)cc1OC ZINC000001208653 557242434 /nfs/dbraw/zinc/24/24/34/557242434.db2.gz JDSIXGRMKMMLBP-HSZRJFAPSA-N 0 1 414.505 5.405 50 0 HKAAMN O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccc1Cl ZINC000001230400 557249391 /nfs/dbraw/zinc/24/93/91/557249391.db2.gz BIVMEKUFDYCDEQ-UHFFFAOYSA-N 0 1 408.306 5.373 50 0 HKAAMN O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000001230687 557249373 /nfs/dbraw/zinc/24/93/73/557249373.db2.gz VEDAHYCNIIPSFZ-UHFFFAOYSA-N 0 1 421.305 5.047 50 0 HKAAMN O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000001230717 557249438 /nfs/dbraw/zinc/24/94/38/557249438.db2.gz UFHBOOWIUWXHEL-UHFFFAOYSA-N 0 1 421.305 5.047 50 0 HKAAMN Nc1c2c(nc3ccc(Br)cc13)N(c1ccc(Cl)c(Cl)c1)CC2 ZINC000001233180 557249968 /nfs/dbraw/zinc/24/99/68/557249968.db2.gz AUXISKWLTSUBTJ-UHFFFAOYSA-N 0 1 409.114 5.581 50 0 HKAAMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccn2)N2CCCCC2)c1C ZINC000001298383 568913202 /nfs/dbraw/zinc/91/32/02/568913202.db2.gz ZCVAGUXAOUETBP-JOCHJYFZSA-N 0 1 405.567 5.588 50 0 HKAAMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccnc2)N2CCCCC2)c1C ZINC000001298395 568913182 /nfs/dbraw/zinc/91/31/82/568913182.db2.gz BMEILHJASUCBME-JOCHJYFZSA-N 0 1 405.567 5.588 50 0 HKAAMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccnc2)N2CCC(C)CC2)c1C ZINC000001298406 568913140 /nfs/dbraw/zinc/91/31/40/568913140.db2.gz UJCGOLRFDJMVIE-HSZRJFAPSA-N 0 1 419.594 5.834 50 0 HKAAMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccnc2)N2CCC(C)CC2)c1C ZINC000001298410 568913166 /nfs/dbraw/zinc/91/31/66/568913166.db2.gz UJCGOLRFDJMVIE-QHCPKHFHSA-N 0 1 419.594 5.834 50 0 HKAAMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccncc2)N2CCC(C)CC2)c1C ZINC000001298412 568913134 /nfs/dbraw/zinc/91/31/34/568913134.db2.gz ZVPKOUKTJMFOHH-HSZRJFAPSA-N 0 1 419.594 5.834 50 0 HKAAMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccncc2)N2CCC(C)CC2)c1C ZINC000001298415 568913152 /nfs/dbraw/zinc/91/31/52/568913152.db2.gz ZVPKOUKTJMFOHH-QHCPKHFHSA-N 0 1 419.594 5.834 50 0 HKAAMN CSc1ccc(NC(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000001327378 557255542 /nfs/dbraw/zinc/25/55/42/557255542.db2.gz FETMRCAIUYKFLJ-UHFFFAOYSA-N 0 1 400.935 5.350 50 0 HKAAMN Cc1ccc(Cn2cnc3c2cc(C)c(C)c3NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001388512 568923030 /nfs/dbraw/zinc/92/30/30/568923030.db2.gz LQIZNLYXYFMRRD-UHFFFAOYSA-N 0 1 419.550 5.119 50 0 HKAAMN CCOC(=O)C1=C(C)Nc2c(cnn2-c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000001401036 568927010 /nfs/dbraw/zinc/92/70/10/568927010.db2.gz FWAVMSACZIUSCG-HXUWFJFHSA-N 0 1 411.864 5.059 50 0 HKAAMN CCOC(=O)C1=C(C)Nc2c(cnn2-c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000001401037 568927043 /nfs/dbraw/zinc/92/70/43/568927043.db2.gz FWAVMSACZIUSCG-FQEVSTJZSA-N 0 1 411.864 5.059 50 0 HKAAMN FC(F)(F)c1cnc(NCCN2CCC3=C(CCc4ccccc43)C2)c(Cl)c1 ZINC000001401403 568927223 /nfs/dbraw/zinc/92/72/23/568927223.db2.gz HXZSRNWPGIMMNE-UHFFFAOYSA-N 0 1 407.867 5.271 50 0 HKAAMN Cc1ccc(-c2csc(N3[NH2+]C(C=Cc4ccco4)=C[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000001406756 568928539 /nfs/dbraw/zinc/92/85/39/568928539.db2.gz CUAYPWFYSAAIBE-SGQUHAKNSA-N 0 1 419.428 5.242 50 0 HKAAMN Cc1ccc(-c2csc(N3[NH2+]C(C=Cc4ccco4)=C[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000001406761 568928499 /nfs/dbraw/zinc/92/84/99/568928499.db2.gz CUAYPWFYSAAIBE-CSHXORCISA-N 0 1 419.428 5.242 50 0 HKAAMN O=C1C(=Nc2cccc(Cl)c2)C[C@@H](c2cccs2)N1c1cccc(Cl)c1 ZINC000001426240 557261705 /nfs/dbraw/zinc/26/17/05/557261705.db2.gz HYWHWCCTBRVMOA-SFHVURJKSA-N 0 1 401.318 6.139 50 0 HKAAMN O=C1C(=Nc2cccc(Cl)c2)C[C@H](c2cccs2)N1c1cccc(Cl)c1 ZINC000001426241 557261686 /nfs/dbraw/zinc/26/16/86/557261686.db2.gz HYWHWCCTBRVMOA-GOSISDBHSA-N 0 1 401.318 6.139 50 0 HKAAMN Cc1nc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)nc2c1CCCC2 ZINC000001429382 568939885 /nfs/dbraw/zinc/93/98/85/568939885.db2.gz LKMOFVSWUZQEQO-UHFFFAOYSA-N 0 1 401.901 5.671 50 0 HKAAMN O=C(Cc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000001431422 557262345 /nfs/dbraw/zinc/26/23/45/557262345.db2.gz SFDKYEGYWDCTQB-UHFFFAOYSA-N 0 1 401.487 5.066 50 0 HKAAMN O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2)c(Cl)cc1Cl ZINC000001445211 568983487 /nfs/dbraw/zinc/98/34/87/568983487.db2.gz ATHAVGGRIPQSCR-UHFFFAOYSA-N 0 1 421.305 5.047 50 0 HKAAMN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)N2CCCC2)c1C ZINC000001448863 568985347 /nfs/dbraw/zinc/98/53/47/568985347.db2.gz RHZSMEDCHRBGJR-HXUWFJFHSA-N 0 1 414.958 6.049 50 0 HKAAMN COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)c(OC)c1OC ZINC000001456429 557267944 /nfs/dbraw/zinc/26/79/44/557267944.db2.gz SSFBMGPWKIPMTM-UHFFFAOYSA-N 0 1 404.441 5.576 50 0 HKAAMN COc1cc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc(OC)c1O ZINC000001456436 568987055 /nfs/dbraw/zinc/98/70/55/568987055.db2.gz BINZFQJBVATPPO-UHFFFAOYSA-N 0 1 406.869 5.787 50 0 HKAAMN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000001510693 569007699 /nfs/dbraw/zinc/00/76/99/569007699.db2.gz JHWLZPNLDUHATB-UHFFFAOYSA-N 0 1 412.725 6.115 50 0 HKAAMN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)c(Cl)cc1Cl ZINC000001738108 569012599 /nfs/dbraw/zinc/01/25/99/569012599.db2.gz SIFZUZIJSUIQHX-UHFFFAOYSA-N 0 1 404.624 5.466 50 0 HKAAMN CC(C)(C)c1ccc(Oc2nc(-c3ccccc3O)nc3ccccc32)c(Cl)c1 ZINC000001796597 569053290 /nfs/dbraw/zinc/05/32/90/569053290.db2.gz WERUGNLSNCIGFJ-UHFFFAOYSA-N 0 1 404.897 6.746 50 0 HKAAMN Cc1ccc(-c2nnc(N3CCN(Cc4ccccc4)CC3)c3ccccc32)cc1C ZINC000001811730 132247919 /nfs/dbraw/zinc/24/79/19/132247919.db2.gz FMNSMGXJPLUHFD-UHFFFAOYSA-N 0 1 408.549 5.236 50 0 HKAAMN CC(C)(C)c1cc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000001816470 557290508 /nfs/dbraw/zinc/29/05/08/557290508.db2.gz KHIKJXCMDHIUIT-SFTDATJTSA-N 0 1 420.553 5.157 50 0 biogenic HKAAMN CC(C)(C)c1cc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000001816471 557290483 /nfs/dbraw/zinc/29/04/83/557290483.db2.gz KHIKJXCMDHIUIT-LEWJYISDSA-N 0 1 420.553 5.157 50 0 biogenic HKAAMN CC(C)(C)c1cc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000001816472 557290470 /nfs/dbraw/zinc/29/04/70/557290470.db2.gz KHIKJXCMDHIUIT-RTWAWAEBSA-N 0 1 420.553 5.157 50 0 biogenic HKAAMN CC(C)(C)c1cc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000001816473 557290425 /nfs/dbraw/zinc/29/04/25/557290425.db2.gz KHIKJXCMDHIUIT-NHCUHLMSSA-N 0 1 420.553 5.157 50 0 biogenic HKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2cccc(Oc3ccccc3)c2)n1 ZINC000001876646 569056856 /nfs/dbraw/zinc/05/68/56/569056856.db2.gz VZXRKEGPWZNCFJ-UHFFFAOYSA-N 0 1 406.441 6.587 50 0 HKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2ccc(OCc3ccccc3)cc2)n1 ZINC000001878574 569056912 /nfs/dbraw/zinc/05/69/12/569056912.db2.gz WMYZXOVDFXHJNS-UHFFFAOYSA-N 0 1 420.468 6.374 50 0 HKAAMN CCOCN(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1c(C)cccc1CC ZINC000001926949 569059691 /nfs/dbraw/zinc/05/96/91/569059691.db2.gz ZOAYLKGDQZBYJX-UHFFFAOYSA-N 0 1 417.962 5.206 50 0 HKAAMN O=C(Nc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1)c1cc(Cl)ccc1O ZINC000001950463 557297445 /nfs/dbraw/zinc/29/74/45/557297445.db2.gz IKDGPQAJCQORIX-UHFFFAOYSA-N 0 1 420.679 5.836 50 0 HKAAMN CCCCCC1CCC(c2cc(Br)c(O)c(Br)c2)CC1 ZINC000002022889 557299476 /nfs/dbraw/zinc/29/94/76/557299476.db2.gz HIKCATCDWVFSGJ-UHFFFAOYSA-N 0 1 404.186 6.771 50 0 HKAAMN COc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1 ZINC000002055732 557302677 /nfs/dbraw/zinc/30/26/77/557302677.db2.gz VRXLBNWOGSYCAG-UHFFFAOYSA-N 0 1 405.295 6.182 50 0 HKAAMN COc1ccc([C@@H]2CC(=Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000002058521 557303486 /nfs/dbraw/zinc/30/34/86/557303486.db2.gz HVRWEYPXGVZVBC-SANMLTNESA-N 0 1 412.533 6.013 50 0 HKAAMN COc1ccc([C@H]2CC(=Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000002058522 557303497 /nfs/dbraw/zinc/30/34/97/557303497.db2.gz HVRWEYPXGVZVBC-AREMUKBSSA-N 0 1 412.533 6.013 50 0 HKAAMN O=C(c1ccccc1)c1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccccc2)c1 ZINC000002059610 569072805 /nfs/dbraw/zinc/07/28/05/569072805.db2.gz AMGPLZVJBYZXLZ-UHFFFAOYSA-N 0 1 400.481 6.642 50 0 HKAAMN Cc1ccc([C@H]2C=C(Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000002061304 557304051 /nfs/dbraw/zinc/30/40/51/557304051.db2.gz KRLHRIGDRYCEJD-JOCHJYFZSA-N 0 1 409.316 6.386 50 0 HKAAMN Cc1ccc([C@@H]2C=C(Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000002061305 557303997 /nfs/dbraw/zinc/30/39/97/557303997.db2.gz KRLHRIGDRYCEJD-QFIPXVFZSA-N 0 1 409.316 6.386 50 0 HKAAMN O=C1C(=Nc2ccc(Cl)cc2)C[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000002061310 557303983 /nfs/dbraw/zinc/30/39/83/557303983.db2.gz LURFCXYXVRUNSC-OAQYLSRUSA-N 0 1 413.279 6.216 50 0 HKAAMN O=C1C(=Nc2ccc(Cl)cc2)C[C@@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000002061311 557304026 /nfs/dbraw/zinc/30/40/26/557304026.db2.gz LURFCXYXVRUNSC-NRFANRHFSA-N 0 1 413.279 6.216 50 0 HKAAMN O=C(c1ccccc1)c1cccc(-c2nc(-c3cccc(F)c3)[nH]c2-c2ccccc2)c1 ZINC000002071232 569277601 /nfs/dbraw/zinc/27/76/01/569277601.db2.gz JFRKVWHGCRJUJW-UHFFFAOYSA-N 0 1 418.471 6.781 50 0 HKAAMN FC(F)(F)Oc1ccc(-c2n[nH]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000002143706 557318402 /nfs/dbraw/zinc/31/84/02/557318402.db2.gz MHYHHFXTJSRMGH-UHFFFAOYSA-N 0 1 405.323 5.514 50 0 HKAAMN [O-]c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000002149519 557319392 /nfs/dbraw/zinc/31/93/92/557319392.db2.gz XYKMESYITRVGTA-UHFFFAOYSA-O 0 1 400.501 6.670 50 0 HKAAMN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cc(Cl)ccc1O ZINC000002154284 557320093 /nfs/dbraw/zinc/32/00/93/557320093.db2.gz RKKQCZJGTFRFPT-UHFFFAOYSA-N 0 1 406.894 6.088 50 0 HKAAMN COc1cc(CNC(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 ZINC000002177938 557322429 /nfs/dbraw/zinc/32/24/29/557322429.db2.gz PGZZDMFCDBYPHI-UHFFFAOYSA-N 0 1 409.529 6.153 50 0 HKAAMN C[C@H](NCc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000002177970 557322404 /nfs/dbraw/zinc/32/24/04/557322404.db2.gz RDNCVODJXOFVGK-INIZCTEOSA-N 0 1 414.318 6.018 50 0 HKAAMN C[C@@H](NCc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000002177971 557322376 /nfs/dbraw/zinc/32/23/76/557322376.db2.gz RDNCVODJXOFVGK-MRXNPFEDSA-N 0 1 414.318 6.018 50 0 HKAAMN Fc1ccc(-c2nc(-c3ccc(Sc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000002184866 569293611 /nfs/dbraw/zinc/29/36/11/569293611.db2.gz MBFVAZNSMXBPHE-UHFFFAOYSA-N 0 1 422.528 7.701 50 0 HKAAMN COc1cc(OC)cc(-c2nc(-c3cccc4ccccc43)c(-c3ccccc3)[nH]2)c1 ZINC000002185688 569293527 /nfs/dbraw/zinc/29/35/27/569293527.db2.gz HBLVATCKHVQYFW-UHFFFAOYSA-N 0 1 406.485 6.581 50 0 HKAAMN O=C1C(=Nc2ccc(F)cc2)C[C@H](c2cccc3ccccc32)N1c1ccc(F)cc1 ZINC000002199450 557325992 /nfs/dbraw/zinc/32/59/92/557325992.db2.gz METYVPSEMBRFDJ-RUZDIDTESA-N 0 1 412.439 6.202 50 0 HKAAMN O=C1C(=Nc2ccc(F)cc2)C[C@@H](c2cccc3ccccc32)N1c1ccc(F)cc1 ZINC000002199451 557326044 /nfs/dbraw/zinc/32/60/44/557326044.db2.gz METYVPSEMBRFDJ-VWLOTQADSA-N 0 1 412.439 6.202 50 0 HKAAMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccccc1 ZINC000002214099 569309171 /nfs/dbraw/zinc/30/91/71/569309171.db2.gz IAOGCQNMTBSXEI-UHFFFAOYSA-N 0 1 409.239 5.215 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(Br)cc3)n2)c1O ZINC000002218807 569311972 /nfs/dbraw/zinc/31/19/72/569311972.db2.gz RPHIUCHCBLFUPD-UHFFFAOYSA-N 0 1 423.266 5.566 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3cc(C)c(Cl)c(C)c3)n2)c1O ZINC000002221186 569312956 /nfs/dbraw/zinc/31/29/56/569312956.db2.gz DKWMTLYBSSPXQK-UHFFFAOYSA-N 0 1 406.869 6.074 50 0 HKAAMN Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000002221529 569313065 /nfs/dbraw/zinc/31/30/65/569313065.db2.gz VKZYJXQGYXFWLE-UHFFFAOYSA-N 0 1 423.266 5.524 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Nc3cc(Cl)ccc3OC)n2)c1O ZINC000002224115 569313390 /nfs/dbraw/zinc/31/33/90/569313390.db2.gz WXGNANJJIGLPAO-UHFFFAOYSA-N 0 1 407.857 5.417 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3cc(Cl)ccc3Cl)n2)c1O ZINC000002228233 569317372 /nfs/dbraw/zinc/31/73/72/569317372.db2.gz IZMGQIZHZWZFBY-UHFFFAOYSA-N 0 1 413.260 6.110 50 0 HKAAMN O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000002230466 569319674 /nfs/dbraw/zinc/31/96/74/569319674.db2.gz SSOUWXLAPLBVMD-UHFFFAOYSA-N 0 1 423.266 5.144 50 0 HKAAMN Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000002235038 569321194 /nfs/dbraw/zinc/32/11/94/569321194.db2.gz GMCCGNBSESNQAO-UHFFFAOYSA-N 0 1 423.266 5.524 50 0 HKAAMN CCCOc1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc32)cc1 ZINC000002236951 569321903 /nfs/dbraw/zinc/32/19/03/569321903.db2.gz HUEFRFSKKRGALQ-UHFFFAOYSA-N 0 1 402.450 5.592 50 0 HKAAMN COc1cc(OC)c(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)cc1OC ZINC000002248284 557331032 /nfs/dbraw/zinc/33/10/32/557331032.db2.gz GYJFAAPWIQKSTB-UHFFFAOYSA-N 0 1 420.896 6.090 50 0 HKAAMN O=C(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1 ZINC000002248672 569324445 /nfs/dbraw/zinc/32/44/45/569324445.db2.gz PVHQNRFWWZKPMS-UHFFFAOYSA-N 0 1 400.481 6.642 50 0 HKAAMN COc1ccc2c(c1)c(C(=O)CN1C[C@H](C)C[C@H](C)C1)c(C)n2Cc1ccccc1 ZINC000002249669 569324567 /nfs/dbraw/zinc/32/45/67/569324567.db2.gz FXYHGMRVYYMCIG-KDURUIRLSA-N 0 1 404.554 5.167 50 0 HKAAMN COc1ccc2c(c1)c(C(=O)CN1C[C@@H](C)C[C@H](C)C1)c(C)n2Cc1ccccc1 ZINC000002249670 569324503 /nfs/dbraw/zinc/32/45/03/569324503.db2.gz FXYHGMRVYYMCIG-OALUTQOASA-N 0 1 404.554 5.167 50 0 HKAAMN COc1ccc2c(c1)c(C(=O)CN1C[C@H](C)C[C@@H](C)C1)c(C)n2Cc1ccccc1 ZINC000002249671 569324518 /nfs/dbraw/zinc/32/45/18/569324518.db2.gz FXYHGMRVYYMCIG-RTBURBONSA-N 0 1 404.554 5.167 50 0 HKAAMN NNc1nc(SCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000002254383 569326245 /nfs/dbraw/zinc/32/62/45/569326245.db2.gz GCJFWMWZHWISAZ-UHFFFAOYSA-N 0 1 402.567 5.480 50 0 HKAAMN Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2-c2ccccc2)cc1 ZINC000002257492 569324850 /nfs/dbraw/zinc/32/48/50/569324850.db2.gz YLJLNXLJUGDVRI-UHFFFAOYSA-N 0 1 406.916 7.731 50 0 HKAAMN O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000002258978 569324937 /nfs/dbraw/zinc/32/49/37/569324937.db2.gz UPTQZEGPUOWFAG-UHFFFAOYSA-N 0 1 400.253 5.052 50 0 HKAAMN Cc1ccc(-c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2-c2ccccc2)cc1C ZINC000002261978 569325328 /nfs/dbraw/zinc/32/53/28/569325328.db2.gz JNSROAPCLMPXSC-UHFFFAOYSA-N 0 1 400.525 7.695 50 0 HKAAMN COc1ccc(-c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2-c2ccccc2)cc1 ZINC000002273258 569327614 /nfs/dbraw/zinc/32/76/14/569327614.db2.gz UPMIRXWFXMWQSY-UHFFFAOYSA-N 0 1 402.497 7.086 50 0 HKAAMN Cc1ccc2nc(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]c2c1 ZINC000002274415 569327654 /nfs/dbraw/zinc/32/76/54/569327654.db2.gz JMXMHKCMUUCHTP-UHFFFAOYSA-N 0 1 410.583 6.147 50 0 HKAAMN Fc1ccc(-c2nc(-c3ccc(F)c(Br)c3)[nH]c2-c2ccccc2)cc1 ZINC000002280227 557334151 /nfs/dbraw/zinc/33/41/51/557334151.db2.gz KRVGUWOOHFCDRQ-UHFFFAOYSA-N 0 1 411.249 6.451 50 0 HKAAMN O=C(c1ccc(F)cc1)c1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1 ZINC000002292779 557334949 /nfs/dbraw/zinc/33/49/49/557334949.db2.gz LTDGCEHWCXYZON-UHFFFAOYSA-N 0 1 418.471 6.781 50 0 HKAAMN COc1ccc(-c2[nH]c(-c3cc4c(c(OC)c3)OCO4)nc2-c2ccccc2)cc1 ZINC000002293471 569369199 /nfs/dbraw/zinc/36/91/99/569369199.db2.gz JEQKOHNSCAOBLY-UHFFFAOYSA-N 0 1 400.434 5.157 50 0 HKAAMN Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)[nH]2)cc1 ZINC000002304655 569372276 /nfs/dbraw/zinc/37/22/76/569372276.db2.gz HFQLYRNFPBVFOS-UHFFFAOYSA-N 0 1 406.460 7.342 50 0 HKAAMN O=C(Nc1ccc(Cl)c(C(=O)c2ccc(Cl)cc2)c1)c1cc(Cl)ccc1O ZINC000002306340 569372555 /nfs/dbraw/zinc/37/25/55/569372555.db2.gz XJPUIXNWFNHUPM-UHFFFAOYSA-N 0 1 420.679 5.836 50 0 HKAAMN COc1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1Br ZINC000002309536 557336151 /nfs/dbraw/zinc/33/61/51/557336151.db2.gz SJXXIOULUAVLQR-UHFFFAOYSA-N 0 1 411.324 6.243 50 0 HKAAMN CC(C)c1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1 ZINC000002310147 569372785 /nfs/dbraw/zinc/37/27/85/569372785.db2.gz KKCVDOHMMBIKKM-UHFFFAOYSA-N 0 1 407.344 7.841 50 0 HKAAMN COc1ccc(-c2[nH]c(-c3ccc(OC)c(OC)c3OC)nc2-c2ccccc2)cc1 ZINC000002310280 569373314 /nfs/dbraw/zinc/37/33/14/569373314.db2.gz ZIRJYOHFMAKBJX-UHFFFAOYSA-N 0 1 416.477 5.445 50 0 HKAAMN COc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)cc1O ZINC000002325189 557337417 /nfs/dbraw/zinc/33/74/17/557337417.db2.gz WLZYBJKLTLHZKQ-UHFFFAOYSA-N 0 1 421.294 5.887 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(OC(C)C)cc3)n2)c1O ZINC000002331875 569375947 /nfs/dbraw/zinc/37/59/47/569375947.db2.gz PFKLKZSEFAJTTA-UHFFFAOYSA-N 0 1 402.450 5.591 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(C(C)(C)C)cc3)n2)c1O ZINC000002334940 557694393 /nfs/dbraw/zinc/69/43/93/557694393.db2.gz KFOHKYYYVKAIQQ-UHFFFAOYSA-N 0 1 400.478 6.101 50 0 HKAAMN COc1cc(OC)c(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc1OC ZINC000002339908 557338609 /nfs/dbraw/zinc/33/86/09/557338609.db2.gz RTYXPJMQOKEUQB-UHFFFAOYSA-N 0 1 420.896 6.090 50 0 HKAAMN COc1cccc([C@@H]2CC(=Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000002347831 557339103 /nfs/dbraw/zinc/33/91/03/557339103.db2.gz LSYAPUNUDWMLKL-SANMLTNESA-N 0 1 412.533 6.013 50 0 HKAAMN COc1cccc([C@H]2CC(=Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000002347833 557339100 /nfs/dbraw/zinc/33/91/00/557339100.db2.gz LSYAPUNUDWMLKL-AREMUKBSSA-N 0 1 412.533 6.013 50 0 HKAAMN Clc1cccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)c1 ZINC000002350292 569381325 /nfs/dbraw/zinc/38/13/25/569381325.db2.gz FAYBZQHNFDXZQG-UHFFFAOYSA-N 0 1 409.714 6.827 50 0 HKAAMN CCc1ccc(N=C2C[C@@H](c3cccc(OC)c3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002354079 557339552 /nfs/dbraw/zinc/33/95/52/557339552.db2.gz JCQLUKOMUWPMKC-SANMLTNESA-N 0 1 412.533 5.904 50 0 HKAAMN CCc1ccc(N=C2C[C@H](c3cccc(OC)c3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002354081 557339632 /nfs/dbraw/zinc/33/96/32/557339632.db2.gz JCQLUKOMUWPMKC-AREMUKBSSA-N 0 1 412.533 5.904 50 0 HKAAMN COc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1O ZINC000002360488 557340133 /nfs/dbraw/zinc/34/01/33/557340133.db2.gz IWRBKHTYWPFGCC-UHFFFAOYSA-N 0 1 411.288 6.432 50 0 HKAAMN CSc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1 ZINC000002361401 569387205 /nfs/dbraw/zinc/38/72/05/569387205.db2.gz PIHHKHQKNUZSFP-UHFFFAOYSA-N 0 1 411.357 7.439 50 0 HKAAMN Cc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1C ZINC000002364439 569387531 /nfs/dbraw/zinc/38/75/31/569387531.db2.gz YNYPQLKYDMBMPU-UHFFFAOYSA-N 0 1 403.323 6.790 50 0 HKAAMN Cc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc32)c(Br)c1 ZINC000002396904 569394505 /nfs/dbraw/zinc/39/45/05/569394505.db2.gz ZAWNYILZASINBR-UHFFFAOYSA-N 0 1 407.267 5.866 50 0 HKAAMN Cc1ccc(S(=O)(=O)Nc2cc3nc4ccccc4nc3n2C2CCCCC2)cc1 ZINC000002400522 569395430 /nfs/dbraw/zinc/39/54/30/569395430.db2.gz XAYROFNHOVTLSK-UHFFFAOYSA-N 0 1 420.538 5.199 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3cccc(Br)c3)n2)c1O ZINC000002402489 569395683 /nfs/dbraw/zinc/39/56/83/569395683.db2.gz SPZNADNUMNALOL-UHFFFAOYSA-N 0 1 423.266 5.566 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(Cl)cc3Cl)n2)c1O ZINC000002405082 569395898 /nfs/dbraw/zinc/39/58/98/569395898.db2.gz IXNKVDULAPVTSW-UHFFFAOYSA-N 0 1 413.260 6.110 50 0 HKAAMN CC[C@@H](C)c1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc32)cc1 ZINC000002408805 569396400 /nfs/dbraw/zinc/39/64/00/569396400.db2.gz CAILDKDATMCFLY-MRXNPFEDSA-N 0 1 400.478 6.317 50 0 HKAAMN CC[C@H](C)c1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc32)cc1 ZINC000002408806 569396419 /nfs/dbraw/zinc/39/64/19/569396419.db2.gz CAILDKDATMCFLY-INIZCTEOSA-N 0 1 400.478 6.317 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3cccc(C(F)(F)F)c3)n2)c1O ZINC000002419360 569397769 /nfs/dbraw/zinc/39/77/69/569397769.db2.gz TVDGIKNGYFEFQM-UHFFFAOYSA-N 0 1 412.367 5.822 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3cc(C)ccc3C(C)C)n2)c1O ZINC000002427032 569398706 /nfs/dbraw/zinc/39/87/06/569398706.db2.gz MGKRFMWPTVBWPE-UHFFFAOYSA-N 0 1 400.478 6.235 50 0 HKAAMN Cc1cc(Br)ccc1Oc1nc(-c2ccccc2O)nc2ccccc21 ZINC000002432395 569399401 /nfs/dbraw/zinc/39/94/01/569399401.db2.gz BJEKLRXWKYILFC-UHFFFAOYSA-N 0 1 407.267 5.866 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(C(C)(C)C)cc3C)n2)c1O ZINC000002437685 569399902 /nfs/dbraw/zinc/39/99/02/569399902.db2.gz BOPDQKXIBSPQDO-UHFFFAOYSA-N 0 1 414.505 6.409 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3cccc(Cl)c3Cl)n2)c1O ZINC000002437765 569399925 /nfs/dbraw/zinc/39/99/25/569399925.db2.gz OHOWCIJQQYKIAP-UHFFFAOYSA-N 0 1 413.260 6.110 50 0 HKAAMN c1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)[nH]1 ZINC000002497849 557352788 /nfs/dbraw/zinc/35/27/88/557352788.db2.gz JHBVWMWOAPOYEK-UHFFFAOYSA-N 0 1 411.508 7.559 50 0 HKAAMN CC(C)C(=O)[C@@H](C(=O)Nc1ccccc1)[C@@H](C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000002529228 557354632 /nfs/dbraw/zinc/35/46/32/557354632.db2.gz SNPBHOICIJUUFB-GOTSBHOMSA-N 0 1 417.480 5.272 50 0 in-vitro HKAAMN O=c1c(-c2ccccc2)c(O)c(Br)c(-c2ccccc2)n1-c1ccccc1 ZINC000002557667 557356319 /nfs/dbraw/zinc/35/63/19/557356319.db2.gz GIRBJGHYOSPAQE-UHFFFAOYSA-N 0 1 418.290 5.640 50 0 HKAAMN Clc1ccc(/C=C2\CCCC3=C2N=C2N=CNN2[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002587027 557358542 /nfs/dbraw/zinc/35/85/42/557358542.db2.gz FOISYPNWBJFEEO-AUFJSOOLSA-N 0 1 409.320 5.774 50 0 HKAAMN Clc1ccc(/C=C2\CCCC3=C2N=C2N=CNN2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000002587029 557358575 /nfs/dbraw/zinc/35/85/75/557358575.db2.gz FOISYPNWBJFEEO-CZIOWHBQSA-N 0 1 409.320 5.774 50 0 HKAAMN O=C(CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)Nc1ccccc1Cl ZINC000002625679 560586105 /nfs/dbraw/zinc/58/61/05/560586105.db2.gz ZDNRUDIRZBSPEG-UHFFFAOYSA-N 0 1 413.717 5.163 50 0 HKAAMN CCOc1ccc(C(C)=O)cc1CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000002625774 568789246 /nfs/dbraw/zinc/78/92/46/568789246.db2.gz DENBTALHJNDHAV-UHFFFAOYSA-N 0 1 422.337 5.672 50 0 HKAAMN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc(C(C)C)n[nH]4)cc3)sc2c1 ZINC000002626124 568789224 /nfs/dbraw/zinc/78/92/24/568789224.db2.gz AJXCHAOJQCPENR-UHFFFAOYSA-N 0 1 423.567 5.244 50 0 HKAAMN Cc1ccc2nc(-c3ccc(NC(=O)CSc4n[nH]c(C(C)C)n4)cc3)sc2c1 ZINC000002626124 568789226 /nfs/dbraw/zinc/78/92/26/568789226.db2.gz AJXCHAOJQCPENR-UHFFFAOYSA-N 0 1 423.567 5.244 50 0 HKAAMN O=S(=O)(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc2ccccc2c1 ZINC000002643515 568794463 /nfs/dbraw/zinc/79/44/63/568794463.db2.gz GUEFCLGCKQBFTR-UHFFFAOYSA-N 0 1 409.894 6.086 50 0 HKAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N(C1CCCCC1)C1CCCCC1 ZINC000002653228 560587149 /nfs/dbraw/zinc/58/71/49/560587149.db2.gz IFLVVNYTPOKGQJ-UHFFFAOYSA-N 0 1 404.605 5.119 50 0 HKAAMN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)N2CCCCC2)c1C ZINC000002667943 568800187 /nfs/dbraw/zinc/80/01/87/568800187.db2.gz IPUMJBKOPIFZHC-OAQYLSRUSA-N 0 1 412.530 5.925 50 0 HKAAMN CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc(C(C)(C)C)c1O ZINC000002667958 568800296 /nfs/dbraw/zinc/80/02/96/568800296.db2.gz XBYYHVRHEKKRLT-HSZRJFAPSA-N 0 1 414.033 7.216 50 0 HKAAMN CC(C)(C)c1cc([C@H](c2ccc(Cl)cc2)N2CCCCC2)cc(C(C)(C)C)c1O ZINC000002667959 568800307 /nfs/dbraw/zinc/80/03/07/568800307.db2.gz XBYYHVRHEKKRLT-QHCPKHFHSA-N 0 1 414.033 7.216 50 0 HKAAMN CCCCc1ccc(NC2=NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000002669280 568800499 /nfs/dbraw/zinc/80/04/99/568800499.db2.gz QFVQLCWVJJYMJE-QGZVFWFLSA-N 0 1 407.366 5.989 50 0 HKAAMN CCCCc1ccc(NC2=NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000002669280 568800502 /nfs/dbraw/zinc/80/05/02/568800502.db2.gz QFVQLCWVJJYMJE-QGZVFWFLSA-N 0 1 407.366 5.989 50 0 HKAAMN CCCCc1ccc(NC2=NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000002669282 568800421 /nfs/dbraw/zinc/80/04/21/568800421.db2.gz QFVQLCWVJJYMJE-KRWDZBQOSA-N 0 1 407.366 5.989 50 0 HKAAMN CCCCc1ccc(NC2=NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000002669282 568800423 /nfs/dbraw/zinc/80/04/23/568800423.db2.gz QFVQLCWVJJYMJE-KRWDZBQOSA-N 0 1 407.366 5.989 50 0 HKAAMN CCCCc1ccc(NC2=NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000002669292 568800432 /nfs/dbraw/zinc/80/04/32/568800432.db2.gz SBJHQZMLENGLBQ-GOSISDBHSA-N 0 1 407.366 5.989 50 0 HKAAMN CCCCc1ccc(NC2=NC(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000002669292 568800435 /nfs/dbraw/zinc/80/04/35/568800435.db2.gz SBJHQZMLENGLBQ-GOSISDBHSA-N 0 1 407.366 5.989 50 0 HKAAMN CCCCc1ccc(NC2=NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000002669294 568800535 /nfs/dbraw/zinc/80/05/35/568800535.db2.gz SBJHQZMLENGLBQ-SFHVURJKSA-N 0 1 407.366 5.989 50 0 HKAAMN CCCCc1ccc(NC2=NC(=O)[C@H](Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000002669294 568800540 /nfs/dbraw/zinc/80/05/40/568800540.db2.gz SBJHQZMLENGLBQ-SFHVURJKSA-N 0 1 407.366 5.989 50 0 HKAAMN COc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)Nc3ccccc3)[nH]2)cc1 ZINC000002687074 569322169 /nfs/dbraw/zinc/32/21/69/569322169.db2.gz VIFQTTQQDFPRCA-UHFFFAOYSA-N 0 1 415.518 5.483 50 0 HKAAMN COc1cccc(-c2nc(-c3ccccc3)c(SCC(=O)Nc3ccccc3)[nH]2)c1 ZINC000002687078 569322172 /nfs/dbraw/zinc/32/21/72/569322172.db2.gz JFJSIEDAONMSFL-UHFFFAOYSA-N 0 1 415.518 5.483 50 0 HKAAMN CCOC(=O)NC1(Nc2c(C)cc(C)cc2C)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002689757 557368090 /nfs/dbraw/zinc/36/80/90/557368090.db2.gz IKMBNCVCHRSQPO-UHFFFAOYSA-N 0 1 411.285 5.159 50 0 HKAAMN Cc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002730386 557754079 /nfs/dbraw/zinc/75/40/79/557754079.db2.gz YTNCEMCEWPYBEM-CYBMUJFWSA-N 0 1 420.365 5.715 50 0 HKAAMN Cc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002730387 557754074 /nfs/dbraw/zinc/75/40/74/557754074.db2.gz YTNCEMCEWPYBEM-ZDUSSCGKSA-N 0 1 420.365 5.715 50 0 HKAAMN Cc1ccc2nc(SCC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)[nH]c2c1 ZINC000002774374 557384585 /nfs/dbraw/zinc/38/45/85/557384585.db2.gz QKEHHZOSGYQDNF-UHFFFAOYSA-N 0 1 423.925 6.048 50 0 HKAAMN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc3ccccc31)cc2Cl ZINC000002840792 557400906 /nfs/dbraw/zinc/40/09/06/557400906.db2.gz XHUJSJHKCNWAAM-UHFFFAOYSA-N 0 1 413.882 5.551 50 0 HKAAMN Clc1ccc(COc2ccc3ccccc3c2CNCc2cccnc2)c(Cl)c1 ZINC000002845496 557402485 /nfs/dbraw/zinc/40/24/85/557402485.db2.gz XWGVLJGJMAMXJF-UHFFFAOYSA-N 0 1 423.343 6.410 50 0 HKAAMN COc1cc(-c2nc(-c3cccc4ccccc43)c(-c3ccccc3)[nH]2)cc(OC)c1O ZINC000002854812 557406543 /nfs/dbraw/zinc/40/65/43/557406543.db2.gz KQOWQGFGZVHJLY-UHFFFAOYSA-N 0 1 422.484 6.287 50 0 HKAAMN COc1cc(OC)c(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)cc1OC ZINC000002855348 558773995 /nfs/dbraw/zinc/77/39/95/558773995.db2.gz JCCHTMLVYYANDH-UHFFFAOYSA-N 0 1 404.441 5.576 50 0 HKAAMN O=S(=O)(Nc1ccc(Br)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000002857056 560732178 /nfs/dbraw/zinc/73/21/78/560732178.db2.gz CHFVOYKZTSYSLO-UHFFFAOYSA-N 0 1 415.523 5.210 50 0 HKAAMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1Cl ZINC000002857288 557407914 /nfs/dbraw/zinc/40/79/14/557407914.db2.gz KQKNIHRFCIECQZ-UHFFFAOYSA-N 0 1 401.098 5.110 50 0 HKAAMN CC(=O)Nc1ccc(-c2nc(-c3cccc4ccccc43)c(-c3ccccc3)[nH]2)cc1 ZINC000002894668 557424078 /nfs/dbraw/zinc/42/40/78/557424078.db2.gz LRGHGCSDYGFVNW-UHFFFAOYSA-N 0 1 403.485 6.522 50 0 HKAAMN COc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000002896412 568814952 /nfs/dbraw/zinc/81/49/52/568814952.db2.gz LSSVJPJNSIAVEI-UHFFFAOYSA-N 0 1 405.295 6.182 50 0 HKAAMN COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)c(OC)c1OC ZINC000002902435 557424899 /nfs/dbraw/zinc/42/48/99/557424899.db2.gz MYLIBDSOZRHLQT-UHFFFAOYSA-N 0 1 420.896 6.090 50 0 HKAAMN Cc1[nH]c2ccc(-c3n[nH]c(=S)n3-c3ccc(Oc4ccccc4)cc3)cc2c1C ZINC000002911281 568815915 /nfs/dbraw/zinc/81/59/15/568815915.db2.gz XYFIADBYDXMIMZ-UHFFFAOYSA-N 0 1 412.518 6.487 50 0 HKAAMN O=C1c2ccccc2-c2ccc(-c3nc(-c4ccc(O)cc4)[nH]c3-c3ccccc3)cc21 ZINC000002921293 557427228 /nfs/dbraw/zinc/42/72/28/557427228.db2.gz GCZSDOHLMWRHPT-UHFFFAOYSA-N 0 1 414.464 6.328 50 0 HKAAMN Cc1ccc(-c2nc(-c3ccc(C(=O)c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000002921533 557427246 /nfs/dbraw/zinc/42/72/46/557427246.db2.gz WPUZHDVKGKWGEO-UHFFFAOYSA-N 0 1 414.508 6.950 50 0 HKAAMN O=C(c1ccccc1)c1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccccc2)cc1 ZINC000002921535 557427159 /nfs/dbraw/zinc/42/71/59/557427159.db2.gz GRWRRRGNKVCDPH-UHFFFAOYSA-N 0 1 416.480 6.347 50 0 HKAAMN O=C(c1ccccc1)c1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccccc2)cc1 ZINC000002921540 557427121 /nfs/dbraw/zinc/42/71/21/557427121.db2.gz RPONNAFRIPQNDL-UHFFFAOYSA-N 0 1 418.471 6.781 50 0 HKAAMN Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccc(-c4ccccc4)cc2)[C@H]3CCC1 ZINC000002928797 557427794 /nfs/dbraw/zinc/42/77/94/557427794.db2.gz GTWNFVDDVBNOIG-NDEPHWFRSA-N 0 1 406.573 6.900 50 0 HKAAMN Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccc(-c4ccccc4)cc2)[C@@H]3CCC1 ZINC000002928798 557427810 /nfs/dbraw/zinc/42/78/10/557427810.db2.gz GTWNFVDDVBNOIG-MUUNZHRXSA-N 0 1 406.573 6.900 50 0 HKAAMN COc1cc([C@@H]2CC(=Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)ccc1O ZINC000002940043 557428797 /nfs/dbraw/zinc/42/87/97/557428797.db2.gz BKBYSIQXAOEGRH-QFIPXVFZSA-N 0 1 400.478 5.102 50 0 HKAAMN COc1cc([C@H]2CC(=Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)ccc1O ZINC000002940045 557428763 /nfs/dbraw/zinc/42/87/63/557428763.db2.gz BKBYSIQXAOEGRH-JOCHJYFZSA-N 0 1 400.478 5.102 50 0 HKAAMN O=c1oc2cc(O)ccc2cc1-c1csc(-c2ccc(Br)cc2)n1 ZINC000002957571 568829910 /nfs/dbraw/zinc/82/99/10/568829910.db2.gz ORIBHDJQYRCCLY-UHFFFAOYSA-N 0 1 400.253 5.052 50 0 HKAAMN Cc1cc(C)cc(NC(=O)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2)c1 ZINC000002971035 568831948 /nfs/dbraw/zinc/83/19/48/568831948.db2.gz DNLBOXRUNIJTBY-UHFFFAOYSA-N 0 1 421.566 5.121 50 0 HKAAMN COC(=O)Nc1nc2cc(Cl)c(Oc3ccc4ccccc4c3Cl)cc2[nH]1 ZINC000002997880 568836478 /nfs/dbraw/zinc/83/64/78/568836478.db2.gz ZVBPHMYWBMZFFY-UHFFFAOYSA-N 0 1 402.237 5.994 50 0 HKAAMN Cc1ccc(NC(=O)c2cccc(OC(=S)N[C@@H](C)c3ccccc3)c2)cc1C ZINC000003081624 568854291 /nfs/dbraw/zinc/85/42/91/568854291.db2.gz HSJLOGHYDDSVJF-SFHVURJKSA-N 0 1 404.535 5.570 50 0 HKAAMN Cc1ccc(NC(=O)c2cccc(OC(=S)N[C@H](C)c3ccccc3)c2)cc1C ZINC000003081625 568854309 /nfs/dbraw/zinc/85/43/09/568854309.db2.gz HSJLOGHYDDSVJF-GOSISDBHSA-N 0 1 404.535 5.570 50 0 HKAAMN Clc1ccc(CSc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)c(Cl)c1 ZINC000003119809 557447955 /nfs/dbraw/zinc/44/79/55/557447955.db2.gz PVQFVSOHQSIILR-UHFFFAOYSA-N 0 1 405.137 6.378 50 0 HKAAMN Cc1nc(C(F)(F)F)nc(Sc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)c1C ZINC000003129618 557449285 /nfs/dbraw/zinc/44/92/85/557449285.db2.gz BBXODKOFXWXLRA-UHFFFAOYSA-N 0 1 420.247 5.355 50 0 HKAAMN CC=CC=CC(=O)Nc1ccc(-c2nc3ccc(NC(=O)C=CC=CC)cc3[nH]2)cc1 ZINC000003146592 560739304 /nfs/dbraw/zinc/73/93/04/560739304.db2.gz XNUWQWXHNRAEOX-MIIZMDLZSA-N 0 1 412.493 5.372 50 0 HKAAMN CCCN(CCC)[P@@](=O)(/C=C(/Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 ZINC000003164313 560588440 /nfs/dbraw/zinc/58/84/40/560588440.db2.gz KYMRQWADFKWTHC-QGFZOGOGSA-N 0 1 422.336 7.861 50 0 HKAAMN O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000003177589 568477942 /nfs/dbraw/zinc/47/79/42/568477942.db2.gz KQMZSIIFGSINMK-UHFFFAOYSA-N 0 1 409.466 5.860 50 0 HKAAMN Clc1ccccc1/C=C1\CCCC2=C1N=C1N=CNN1[C@H]2c1ccccc1Cl ZINC000003207539 568846375 /nfs/dbraw/zinc/84/63/75/568846375.db2.gz CQVVXEGDIXUDOK-NKSQBSFPSA-N 0 1 409.320 5.774 50 0 HKAAMN Clc1ccccc1/C=C1\CCCC2=C1N=C1N=CNN1[C@@H]2c1ccccc1Cl ZINC000003207544 568846369 /nfs/dbraw/zinc/84/63/69/568846369.db2.gz CQVVXEGDIXUDOK-FFXXTYGZSA-N 0 1 409.320 5.774 50 0 HKAAMN CC(C)(C)c1ccc2cc(C(C)(C)C)cc(S(=O)(=O)Nc3ccccc3O)c2c1 ZINC000003212596 568862155 /nfs/dbraw/zinc/86/21/55/568862155.db2.gz DCOXXZAFVQIDBV-UHFFFAOYSA-N 0 1 411.567 5.941 50 0 HKAAMN CCc1ccc(/C=C2\CCC(C(=S)Nc3ccc(F)cc3)=C2N2CCCCC2)cc1 ZINC000003236085 560886793 /nfs/dbraw/zinc/88/67/93/560886793.db2.gz WAGJBNHXMHEQTE-DYTRJAOYSA-N 0 1 420.597 6.745 50 0 HKAAMN Cc1ccc2nc(SCC(=O)Nc3ccccc3Sc3ccccc3)[nH]c2c1 ZINC000003251271 560589520 /nfs/dbraw/zinc/58/95/20/560589520.db2.gz YBYSZGPOFCUCPC-UHFFFAOYSA-N 0 1 405.548 5.753 50 0 HKAAMN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000003256968 568868521 /nfs/dbraw/zinc/86/85/21/568868521.db2.gz YAEMMCUWPGRFDK-UHFFFAOYSA-N 0 1 403.731 5.178 50 0 HKAAMN CCOC(=O)c1c2c(sc1Nc1nc(-c3ccc(CC)cc3)cs1)CCCC2 ZINC000003261467 568869208 /nfs/dbraw/zinc/86/92/08/568869208.db2.gz NIRMYDGTLRTJOZ-UHFFFAOYSA-N 0 1 412.580 6.233 50 0 HKAAMN CCOC(=O)c1c2c(sc1Nc1nc(-c3ccc(C)c(C)c3)cs1)CCCC2 ZINC000003261471 560590958 /nfs/dbraw/zinc/59/09/58/560590958.db2.gz ZVBOHWXDHVGDCA-UHFFFAOYSA-N 0 1 412.580 6.288 50 0 HKAAMN C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H](c1cccs1)N1CCCC1 ZINC000003265078 568869735 /nfs/dbraw/zinc/86/97/35/568869735.db2.gz SNXQPXANNGJLPP-SGTLLEGYSA-N 0 1 422.978 5.711 50 0 HKAAMN C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H](c1cccs1)N1CCCC1 ZINC000003265081 568849461 /nfs/dbraw/zinc/84/94/61/568849461.db2.gz SNXQPXANNGJLPP-XIKOKIGWSA-N 0 1 422.978 5.711 50 0 HKAAMN C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H](c1cccs1)N1CCCC1 ZINC000003265083 568849472 /nfs/dbraw/zinc/84/94/72/568849472.db2.gz SNXQPXANNGJLPP-KPZWWZAWSA-N 0 1 422.978 5.711 50 0 HKAAMN C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H](c1cccs1)N1CCCC1 ZINC000003265085 568869704 /nfs/dbraw/zinc/86/97/04/568869704.db2.gz SNXQPXANNGJLPP-KZULUSFZSA-N 0 1 422.978 5.711 50 0 HKAAMN Cc1sc2[nH]c(CN[C@H]3CCCc4ccccc43)nc(=O)c2c1-c1ccccc1 ZINC000003288703 568872865 /nfs/dbraw/zinc/87/28/65/568872865.db2.gz SURDDPLBAWLVPX-IBGZPJMESA-N 0 1 401.535 5.127 50 0 HKAAMN Cc1sc2[nH]c(CN[C@@H]3CCCc4ccccc43)nc(=O)c2c1-c1ccccc1 ZINC000003288705 568852505 /nfs/dbraw/zinc/85/25/05/568852505.db2.gz SURDDPLBAWLVPX-LJQANCHMSA-N 0 1 401.535 5.127 50 0 HKAAMN FC(F)Sc1ccc(NC(=S)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000003339362 568883336 /nfs/dbraw/zinc/88/33/36/568883336.db2.gz VENJVNJVJCLACW-MRXNPFEDSA-N 0 1 411.543 5.108 50 0 HKAAMN FC(F)Sc1ccc(NC(=S)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000003339364 568883374 /nfs/dbraw/zinc/88/33/74/568883374.db2.gz VENJVNJVJCLACW-INIZCTEOSA-N 0 1 411.543 5.108 50 0 HKAAMN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000003353093 568886090 /nfs/dbraw/zinc/88/60/90/568886090.db2.gz VNTYXCYNSOBNHH-UHFFFAOYSA-N 0 1 408.567 5.405 50 0 HKAAMN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000003353093 568886092 /nfs/dbraw/zinc/88/60/92/568886092.db2.gz VNTYXCYNSOBNHH-UHFFFAOYSA-N 0 1 408.567 5.405 50 0 HKAAMN COc1ccc(CCn2c(=O)c3cc(-c4ccccc4)sc3[nH]c2=S)cc1OC ZINC000003369993 557480341 /nfs/dbraw/zinc/48/03/41/557480341.db2.gz YJNQGOLZTZICHJ-UHFFFAOYSA-N 0 1 424.547 5.047 50 0 HKAAMN CSc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2s1 ZINC000003376853 568891527 /nfs/dbraw/zinc/89/15/27/568891527.db2.gz ZEJHJCWNGMWACN-UHFFFAOYSA-N 0 1 405.353 5.126 50 0 aggregator HKAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccccc1Oc1ccccc1 ZINC000003402519 568857877 /nfs/dbraw/zinc/85/78/77/568857877.db2.gz DUWFDHCMZMPDHM-UHFFFAOYSA-N 0 1 408.508 5.056 50 0 HKAAMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3c(Cl)ccc(C)c3Cl)n2)cc1 ZINC000003405868 568897162 /nfs/dbraw/zinc/89/71/62/568897162.db2.gz HTBVGXNEBUEDOC-UHFFFAOYSA-N 0 1 407.326 5.126 50 0 HKAAMN Cc1cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)n1Cc1cccs1 ZINC000003408179 568897475 /nfs/dbraw/zinc/89/74/75/568897475.db2.gz DPHOETVKECHFMO-UHFFFAOYSA-N 0 1 414.581 5.036 50 0 HKAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1cccc(Oc2ccccc2)c1 ZINC000003408485 568897714 /nfs/dbraw/zinc/89/77/14/568897714.db2.gz XSLJZUAZHFZGNM-UHFFFAOYSA-N 0 1 420.469 5.134 50 0 HKAAMN O=C(c1cc(-c2nc3ccccc3s2)c2nc3ccccc3n2c1)c1ccccc1O ZINC000003418798 568899472 /nfs/dbraw/zinc/89/94/72/568899472.db2.gz CTUFWUDSVQKJQF-UHFFFAOYSA-N 0 1 421.481 5.701 50 0 HKAAMN CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000003435961 568902664 /nfs/dbraw/zinc/90/26/64/568902664.db2.gz LIWKBRGQTNYMJC-UHFFFAOYSA-N 0 1 415.477 5.529 50 0 HKAAMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3Cc3ccccc3)n2)cc1 ZINC000003534230 568913430 /nfs/dbraw/zinc/91/34/30/568913430.db2.gz YYDYRYANLHJRRB-UHFFFAOYSA-N 0 1 414.534 5.102 50 0 HKAAMN CC(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000003614397 568920189 /nfs/dbraw/zinc/92/01/89/568920189.db2.gz VLJJAAOUTZFFRD-RHGYRFJNSA-N 0 1 408.542 5.196 50 0 HKAAMN c1ccc(-c2nc3ccc(Oc4ccc5[nH]c(-c6ccccn6)nc5c4)cc3[nH]2)nc1 ZINC000003642702 568922126 /nfs/dbraw/zinc/92/21/26/568922126.db2.gz FRBJTWMUBRZPHI-UHFFFAOYSA-N 0 1 404.433 5.356 50 0 HKAAMN Cc1ccc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000003666052 132268070 /nfs/dbraw/zinc/26/80/70/132268070.db2.gz FVIQRKNJUNXJEC-UHFFFAOYSA-N 0 1 403.532 5.793 50 0 HKAAMN Cc1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3ccccc3-4)c(-c3ccccc3)[nH]2)cc1 ZINC000003666265 557497473 /nfs/dbraw/zinc/49/74/73/557497473.db2.gz AWJCAZXSXJNEJA-UHFFFAOYSA-N 0 1 412.492 6.931 50 0 HKAAMN O=C(c1ccccc1)c1ccc(-c2nc(-c3cccc(F)c3)[nH]c2-c2ccccc2)cc1 ZINC000003668095 568924435 /nfs/dbraw/zinc/92/44/35/568924435.db2.gz SJLJIAFFXJGIBF-UHFFFAOYSA-N 0 1 418.471 6.781 50 0 HKAAMN c1ccc(Sc2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2)cc1 ZINC000003669287 568867392 /nfs/dbraw/zinc/86/73/92/568867392.db2.gz QXTLXDWTGLXYRT-UHFFFAOYSA-N 0 1 404.538 7.562 50 0 HKAAMN c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)[nH]2)cc1 ZINC000003671135 568867506 /nfs/dbraw/zinc/86/75/06/568867506.db2.gz PPRGNHYFGMSRIY-UHFFFAOYSA-N 0 1 402.522 7.779 50 0 HKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccc(N(C)C)cc3)C2)c(=O)o1 ZINC000003999079 568931785 /nfs/dbraw/zinc/93/17/85/568931785.db2.gz DFKDXSLPCQWBIQ-NRFANRHFSA-N 0 1 406.507 5.078 50 0 biogenic HKAAMN CCCCCCOc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000004007601 132269662 /nfs/dbraw/zinc/26/96/62/132269662.db2.gz QUEIFTINCFCXNF-UHFFFAOYSA-N 0 1 420.519 5.987 50 0 HKAAMN CCCCCC[NH+](CCCCCC)CC(=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000004018685 568933796 /nfs/dbraw/zinc/93/37/96/568933796.db2.gz ZIKDWVDWFNZCBI-UHFFFAOYSA-N 0 1 413.650 5.850 50 0 HKAAMN COc1ccc(-c2cc(C3CCN(Cc4cccc(C(F)(F)F)c4)CC3)[nH]n2)cc1 ZINC000004025203 568933899 /nfs/dbraw/zinc/93/38/99/568933899.db2.gz LISDNWVPJBZAES-UHFFFAOYSA-N 0 1 415.459 5.484 50 0 HKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccc(C(C)C)cc3)C2)c(=O)o1 ZINC000004026015 568878196 /nfs/dbraw/zinc/87/81/96/568878196.db2.gz REBZSKNSOWQRKA-QFIPXVFZSA-N 0 1 405.519 6.135 50 0 biogenic HKAAMN Cc1ccc(OCCSc2nc3ccc(Br)cc3[nH]2)c(C(C)C)c1 ZINC000004066925 568937570 /nfs/dbraw/zinc/93/75/70/568937570.db2.gz RFTOXGVQNGYBHX-UHFFFAOYSA-N 0 1 405.361 5.928 50 0 HKAAMN Cc1ccc(-c2c(O)c(Cl)c(C(C)(C)C)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000004114612 568944374 /nfs/dbraw/zinc/94/43/74/568944374.db2.gz BCFJHGPEPSGUTD-UHFFFAOYSA-N 0 1 402.321 6.123 50 0 HKAAMN CC[NH+](CC)c1ccc(-n2c(C)c(C(=O)[O-])c3cc(OC)c4ccccc4c32)cc1 ZINC000004116260 557515646 /nfs/dbraw/zinc/51/56/46/557515646.db2.gz JSIZYELYOAHYCX-UHFFFAOYSA-N 0 1 402.494 5.645 50 0 HKAAMN Cc1ccc2nc(SCc3nc4ccc(Cl)cn4c3Br)[nH]c2c1 ZINC000004136435 568945421 /nfs/dbraw/zinc/94/54/21/568945421.db2.gz NZYYJSJZTKYBGF-UHFFFAOYSA-N 0 1 407.724 5.227 50 0 HKAAMN Cc1ccc2nc(SCc3nc4ccc(Br)cn4c3Cl)[nH]c2c1 ZINC000004136437 568945426 /nfs/dbraw/zinc/94/54/26/568945426.db2.gz XXLXGOTXCXLKBG-UHFFFAOYSA-N 0 1 407.724 5.227 50 0 HKAAMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccn2)N2CCC(C)CC2)c1C ZINC000004193086 568950568 /nfs/dbraw/zinc/95/05/68/568950568.db2.gz HSTZBRUOWGXBBL-HSZRJFAPSA-N 0 1 419.594 5.834 50 0 HKAAMN COc1ccc2nc(SCc3csc(-c4ccc(OC)c(OC)c4)n3)[nH]c2c1 ZINC000004252164 560603449 /nfs/dbraw/zinc/60/34/49/560603449.db2.gz TWIYCIXLYZWRHZ-UHFFFAOYSA-N 0 1 413.524 5.005 50 0 HKAAMN COc1ccc2nc(S[C@@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)[nH]c2c1 ZINC000004252198 560603562 /nfs/dbraw/zinc/60/35/62/560603562.db2.gz OLYSGMSMPPCCJE-OAQYLSRUSA-N 0 1 419.506 5.052 50 0 HKAAMN COc1ccc2nc(S[C@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)[nH]c2c1 ZINC000004252199 560603636 /nfs/dbraw/zinc/60/36/36/560603636.db2.gz OLYSGMSMPPCCJE-NRFANRHFSA-N 0 1 419.506 5.052 50 0 HKAAMN COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)[nH]c2c1 ZINC000004252408 568955405 /nfs/dbraw/zinc/95/54/05/568955405.db2.gz XCKUJASYSFGPAT-HNNXBMFYSA-N 0 1 403.507 5.358 50 0 HKAAMN COc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)[nH]c2c1 ZINC000004252409 568955347 /nfs/dbraw/zinc/95/53/47/568955347.db2.gz XCKUJASYSFGPAT-OAHLLOKOSA-N 0 1 403.507 5.358 50 0 HKAAMN CC(C)c1ccc(C=Cc2n[nH]c(SCc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000004299644 557537424 /nfs/dbraw/zinc/53/74/24/557537424.db2.gz OJDNMRQHJCBNBG-DHZHZOJOSA-N 0 1 403.473 6.410 50 0 HKAAMN CC(C)(C)c1ccc2nc(C(=Cc3ccc(F)cc3)NC(=O)c3ccccc3)[nH]c2c1 ZINC000004337552 557543727 /nfs/dbraw/zinc/54/37/27/557543727.db2.gz UCGGZBGVWZLCTO-HZHRSRAPSA-N 0 1 413.496 5.928 50 0 HKAAMN FC(F)(F)c1ccc(SCCCN2CCN(c3cccc(Cl)c3)CC2)nc1 ZINC000004347611 132275755 /nfs/dbraw/zinc/27/57/55/132275755.db2.gz BIFJYLKRBXGSMK-UHFFFAOYSA-N 0 1 415.912 5.058 50 0 HKAAMN Cc1ccc2nc(N(CCN(C)C)C(=O)c3cc(Cl)sc3Cl)sc2c1 ZINC000004359111 558448207 /nfs/dbraw/zinc/44/82/07/558448207.db2.gz MVZKGXVAQIXGRS-UHFFFAOYSA-N 0 1 414.383 5.181 50 0 HKAAMN Cc1cccc2sc(N(CCN(C)C)C(=O)c3cc(Cl)sc3Cl)nc21 ZINC000004359230 558450254 /nfs/dbraw/zinc/45/02/54/558450254.db2.gz NHAATQASABMPRV-UHFFFAOYSA-N 0 1 414.383 5.181 50 0 HKAAMN Cc1ccc2sc(N(CCN(C)C)C(=O)c3cccc4ccccc43)nc2c1C ZINC000004359382 558451296 /nfs/dbraw/zinc/45/12/96/558451296.db2.gz JKIGOTWBCHSIJP-UHFFFAOYSA-N 0 1 403.551 5.275 50 0 HKAAMN CN(C)CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000004359425 558451712 /nfs/dbraw/zinc/45/17/12/558451712.db2.gz USMGWPGYDFNFCJ-UHFFFAOYSA-N 0 1 417.525 5.080 50 0 HKAAMN FC(F)(F)c1cc(N2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2n1 ZINC000004364543 132275815 /nfs/dbraw/zinc/27/58/15/132275815.db2.gz ACCYJSPIAHCMCJ-UHFFFAOYSA-N 0 1 405.851 5.229 50 0 HKAAMN CC(C)N(CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000004379966 558483130 /nfs/dbraw/zinc/48/31/30/558483130.db2.gz HTRWEPAGAWTZBM-OAQYLSRUSA-N 0 1 423.409 5.478 50 0 HKAAMN CC(C)N(CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000004379971 558483057 /nfs/dbraw/zinc/48/30/57/558483057.db2.gz HTRWEPAGAWTZBM-NRFANRHFSA-N 0 1 423.409 5.478 50 0 HKAAMN COc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl ZINC000004384161 557549399 /nfs/dbraw/zinc/54/93/99/557549399.db2.gz JJKQQRKSCKAEBE-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN COc1ccc2nc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000004406351 558501301 /nfs/dbraw/zinc/50/13/01/558501301.db2.gz CLGRQYMHTDZUPN-FQEVSTJZSA-N 0 1 407.470 5.183 50 0 HKAAMN COc1ccc2nc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000004406358 558501388 /nfs/dbraw/zinc/50/13/88/558501388.db2.gz CLGRQYMHTDZUPN-HXUWFJFHSA-N 0 1 407.470 5.183 50 0 HKAAMN COc1ccc2nc(SCc3csc(-c4cccc(OC)c4OC)n3)[nH]c2c1 ZINC000004406565 558501516 /nfs/dbraw/zinc/50/15/16/558501516.db2.gz YJWJYTIQQDLFPK-UHFFFAOYSA-N 0 1 413.524 5.005 50 0 HKAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)NC(c1ccccc1)c1ccccc1 ZINC000004406945 569012487 /nfs/dbraw/zinc/01/24/87/569012487.db2.gz YKQNSHACZHEXRI-UHFFFAOYSA-N 0 1 407.926 5.214 50 0 HKAAMN COc1cccc(CNCc2cccnc2)c1OCc1ccc(Cl)cc1Cl ZINC000004413516 557553066 /nfs/dbraw/zinc/55/30/66/557553066.db2.gz BVOHYLSWYLFQPA-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN CCOc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000004413527 557553003 /nfs/dbraw/zinc/55/30/03/557553003.db2.gz FYKNKGMDTSJCNS-UHFFFAOYSA-N 0 1 417.336 5.656 50 0 HKAAMN CCOc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccccc1Cl ZINC000004413529 557553015 /nfs/dbraw/zinc/55/30/15/557553015.db2.gz KDDUETKOEPVGFY-UHFFFAOYSA-N 0 1 417.336 5.656 50 0 HKAAMN CCOc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004413531 557553026 /nfs/dbraw/zinc/55/30/26/557553026.db2.gz BFGNWBSVCRLNJP-UHFFFAOYSA-N 0 1 400.881 5.142 50 0 HKAAMN CCOc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccccc1F ZINC000004413533 557553035 /nfs/dbraw/zinc/55/30/35/557553035.db2.gz MXLVFTKILRWTNX-UHFFFAOYSA-N 0 1 400.881 5.142 50 0 HKAAMN COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000004413537 557552980 /nfs/dbraw/zinc/55/29/80/557552980.db2.gz CKQWQXHKLDPGSV-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000004413563 557552958 /nfs/dbraw/zinc/55/29/58/557552958.db2.gz UICAEHHUHBHFQQ-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN COc1cccc(CNCc2ccncc2)c1OCc1ccc(Cl)cc1Cl ZINC000004413569 557552972 /nfs/dbraw/zinc/55/29/72/557552972.db2.gz PJGXUSKCMBUVDN-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN CCOc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccccc1Cl ZINC000004413589 557553021 /nfs/dbraw/zinc/55/30/21/557553021.db2.gz RPWNNPBSPSBLDB-UHFFFAOYSA-N 0 1 417.336 5.656 50 0 HKAAMN CCOc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004413591 557553057 /nfs/dbraw/zinc/55/30/57/557553057.db2.gz IRGCAZURBPUPEF-UHFFFAOYSA-N 0 1 400.881 5.142 50 0 HKAAMN COc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000004413592 557553085 /nfs/dbraw/zinc/55/30/85/557553085.db2.gz TUYZLZUETFUJNM-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN COc1cc(CNCc2cccnc2)ccc1OCc1c(Cl)cccc1Cl ZINC000004413611 557553051 /nfs/dbraw/zinc/55/30/51/557553051.db2.gz HCBMUCWWWYMITM-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN COc1cc(CNCc2cccnc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000004413615 557553010 /nfs/dbraw/zinc/55/30/10/557553010.db2.gz QWMXOACWEZVXQR-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN COc1cc(CNCc2ccncc2)ccc1OCc1c(Cl)cccc1Cl ZINC000004413626 557552992 /nfs/dbraw/zinc/55/29/92/557552992.db2.gz BLQRFZYTQBFWTQ-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000004413629 557553040 /nfs/dbraw/zinc/55/30/40/557553040.db2.gz RATZYNZICJLKHE-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000004421516 558534629 /nfs/dbraw/zinc/53/46/29/558534629.db2.gz ORTKPELXIREFLV-JOCHJYFZSA-N 0 1 420.981 5.355 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000004421518 558534657 /nfs/dbraw/zinc/53/46/57/558534657.db2.gz ORTKPELXIREFLV-QFIPXVFZSA-N 0 1 420.981 5.355 50 0 HKAAMN c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccccc4)=NN23)cc1 ZINC000004424530 558544036 /nfs/dbraw/zinc/54/40/36/558544036.db2.gz PYVDJLMUDDGXHA-VWLOTQADSA-N 0 1 409.533 5.222 50 0 HKAAMN c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccccc4)=NN23)cc1 ZINC000004424533 558543944 /nfs/dbraw/zinc/54/39/44/558543944.db2.gz PYVDJLMUDDGXHA-RUZDIDTESA-N 0 1 409.533 5.222 50 0 HKAAMN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000004424537 558544013 /nfs/dbraw/zinc/54/40/13/558544013.db2.gz UMSSNKHYDZHKPX-SANMLTNESA-N 0 1 423.560 5.531 50 0 HKAAMN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000004424539 558543964 /nfs/dbraw/zinc/54/39/64/558543964.db2.gz UMSSNKHYDZHKPX-AREMUKBSSA-N 0 1 423.560 5.531 50 0 HKAAMN c1csc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)c1 ZINC000004424543 558543979 /nfs/dbraw/zinc/54/39/79/558543979.db2.gz BSDMCVCYKQSWCU-QFIPXVFZSA-N 0 1 415.562 5.284 50 0 HKAAMN c1csc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)c1 ZINC000004424546 558543973 /nfs/dbraw/zinc/54/39/73/558543973.db2.gz BSDMCVCYKQSWCU-JOCHJYFZSA-N 0 1 415.562 5.284 50 0 HKAAMN CC(C)(C)c1ccc(C2=Nc3ccccc3N=C(c3cc(Cl)ccc3O)C2)cc1 ZINC000004427604 558537054 /nfs/dbraw/zinc/53/70/54/558537054.db2.gz YOKSSMWXILABMI-UHFFFAOYSA-N 0 1 402.925 6.988 50 0 HKAAMN COc1cc(CNCc2cccnc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000004450518 557555512 /nfs/dbraw/zinc/55/55/12/557555512.db2.gz XBHRJXYKFPPPBA-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccc(C)cc1 ZINC000004457257 558590105 /nfs/dbraw/zinc/59/01/05/558590105.db2.gz JEBYFRCVGSAWCV-HSZRJFAPSA-N 0 1 417.018 5.525 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccc(C)cc1 ZINC000004457258 558590112 /nfs/dbraw/zinc/59/01/12/558590112.db2.gz JEBYFRCVGSAWCV-QHCPKHFHSA-N 0 1 417.018 5.525 50 0 HKAAMN COc1ccc([C@@H]2CN(C)C[C@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000004489357 558610788 /nfs/dbraw/zinc/61/07/88/558610788.db2.gz LSZXSJRLEMPHQV-FCHUYYIVSA-N 0 1 411.973 5.924 50 0 HKAAMN CC(C)CCN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000004491114 558609603 /nfs/dbraw/zinc/60/96/03/558609603.db2.gz DPXHWBOJHLLBGQ-UHFFFAOYSA-N 0 1 400.488 6.002 50 0 HKAAMN Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nc1Cc1ccccc1 ZINC000004492504 558609762 /nfs/dbraw/zinc/60/97/62/558609762.db2.gz QNKJDBNUNHLFMA-ZDUSSCGKSA-N 0 1 403.910 5.221 50 0 HKAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc1Cc1ccccc1 ZINC000004492507 558609769 /nfs/dbraw/zinc/60/97/69/558609769.db2.gz QNKJDBNUNHLFMA-CYBMUJFWSA-N 0 1 403.910 5.221 50 0 HKAAMN Cc1ccc(CN(CC(=O)N2CCS[C@@H]2c2ccccc2Cl)C(C)C)cc1 ZINC000004507417 558621571 /nfs/dbraw/zinc/62/15/71/558621571.db2.gz QHBCVHJRYYYKPH-JOCHJYFZSA-N 0 1 402.991 5.133 50 0 HKAAMN Cc1ccc(CN(CC(=O)N2CCS[C@H]2c2ccccc2Cl)C(C)C)cc1 ZINC000004507420 558621563 /nfs/dbraw/zinc/62/15/63/558621563.db2.gz QHBCVHJRYYYKPH-QFIPXVFZSA-N 0 1 402.991 5.133 50 0 HKAAMN O=C1S/C(=C/c2cc(Br)cc(Cl)c2O)C(=O)N1c1ccccc1 ZINC000004509735 558623324 /nfs/dbraw/zinc/62/33/24/558623324.db2.gz SFMGKYUQWOKJDC-NTUHNPAUSA-N 0 1 410.676 5.049 50 0 HKAAMN CC(C)CN(CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccc(F)cc1 ZINC000004513678 558631453 /nfs/dbraw/zinc/63/14/53/558631453.db2.gz SZGNNPFUBVHFNX-JOCHJYFZSA-N 0 1 420.981 5.211 50 0 HKAAMN CC(C)CN(CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccc(F)cc1 ZINC000004513680 558631509 /nfs/dbraw/zinc/63/15/09/558631509.db2.gz SZGNNPFUBVHFNX-QFIPXVFZSA-N 0 1 420.981 5.211 50 0 HKAAMN Cc1nc2cc(NCc3ccc(Br)cc3)ccc2n1Cc1ccccc1 ZINC000004551736 558701844 /nfs/dbraw/zinc/70/18/44/558701844.db2.gz GYPLAQSGBHHIMJ-UHFFFAOYSA-N 0 1 406.327 5.768 50 0 HKAAMN CCOc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CCN(C(C)C)C3 ZINC000004554091 558721284 /nfs/dbraw/zinc/72/12/84/558721284.db2.gz DYYVUFWTPVTXQV-QFIPXVFZSA-N 0 1 421.566 5.495 50 0 HKAAMN CCOc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CCN(C(C)C)C3 ZINC000004554093 558721204 /nfs/dbraw/zinc/72/12/04/558721204.db2.gz DYYVUFWTPVTXQV-JOCHJYFZSA-N 0 1 421.566 5.495 50 0 HKAAMN COc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CCN(C(C)C)C3 ZINC000004555315 558724418 /nfs/dbraw/zinc/72/44/18/558724418.db2.gz XJHIDCNOMXITGT-NRFANRHFSA-N 0 1 407.539 5.105 50 0 HKAAMN COc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CCN(C(C)C)C3 ZINC000004555316 558724440 /nfs/dbraw/zinc/72/44/40/558724440.db2.gz XJHIDCNOMXITGT-OAQYLSRUSA-N 0 1 407.539 5.105 50 0 HKAAMN CCOc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CCN(CC)C3 ZINC000004556167 558725207 /nfs/dbraw/zinc/72/52/07/558725207.db2.gz SOWBQPIMAGQQEH-NRFANRHFSA-N 0 1 407.539 5.107 50 0 HKAAMN CCOc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CCN(CC)C3 ZINC000004556168 558725220 /nfs/dbraw/zinc/72/52/20/558725220.db2.gz SOWBQPIMAGQQEH-OAQYLSRUSA-N 0 1 407.539 5.107 50 0 HKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000004556171 558725190 /nfs/dbraw/zinc/72/51/90/558725190.db2.gz UVSBQYXFATVMHN-QFIPXVFZSA-N 0 1 419.550 5.134 50 0 HKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000004556172 558725236 /nfs/dbraw/zinc/72/52/36/558725236.db2.gz UVSBQYXFATVMHN-JOCHJYFZSA-N 0 1 419.550 5.134 50 0 HKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000004556327 558725498 /nfs/dbraw/zinc/72/54/98/558725498.db2.gz FHOYEPKOAOBJPK-IBGZPJMESA-N 0 1 413.930 5.468 50 0 HKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000004556328 558725545 /nfs/dbraw/zinc/72/55/45/558725545.db2.gz FHOYEPKOAOBJPK-LJQANCHMSA-N 0 1 413.930 5.468 50 0 HKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000004556337 558725491 /nfs/dbraw/zinc/72/54/91/558725491.db2.gz XIFIOOIBWOOAAM-IBGZPJMESA-N 0 1 413.930 5.468 50 0 HKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000004556338 558725967 /nfs/dbraw/zinc/72/59/67/558725967.db2.gz XIFIOOIBWOOAAM-LJQANCHMSA-N 0 1 413.930 5.468 50 0 HKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000004556410 558725819 /nfs/dbraw/zinc/72/58/19/558725819.db2.gz HGEDHWMJSKJKHU-QFIPXVFZSA-N 0 1 419.550 5.134 50 0 HKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000004556411 558725953 /nfs/dbraw/zinc/72/59/53/558725953.db2.gz HGEDHWMJSKJKHU-JOCHJYFZSA-N 0 1 419.550 5.134 50 0 HKAAMN CC(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004564910 558730438 /nfs/dbraw/zinc/73/04/38/558730438.db2.gz VLJJAAOUTZFFRD-GGUMNFRJSA-N 0 1 408.542 5.196 50 0 HKAAMN COc1ccc([C@@H](C(=O)NC2CCCCC2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000004570934 558743641 /nfs/dbraw/zinc/74/36/41/558743641.db2.gz BVJBGRPQVIEONL-SANMLTNESA-N 0 1 420.597 5.140 50 0 HKAAMN COc1ccc([C@H](C(=O)NC2CCCCC2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000004570940 558743552 /nfs/dbraw/zinc/74/35/52/558743552.db2.gz BVJBGRPQVIEONL-AREMUKBSSA-N 0 1 420.597 5.140 50 0 HKAAMN CCN(CC)CC(=O)Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br ZINC000004581541 557569825 /nfs/dbraw/zinc/56/98/25/557569825.db2.gz ZLWNDVAZSLGMIC-UHFFFAOYSA-N 0 1 419.407 5.197 50 0 HKAAMN CN(C)CCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1 ZINC000004585265 558775670 /nfs/dbraw/zinc/77/56/70/558775670.db2.gz IKSHSXQPNIPTEU-UHFFFAOYSA-N 0 1 401.535 5.172 50 0 HKAAMN CN(C)CCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2s1 ZINC000004585283 558775643 /nfs/dbraw/zinc/77/56/43/558775643.db2.gz PCPJFCKJEYHRAW-UHFFFAOYSA-N 0 1 415.562 5.023 50 0 HKAAMN CN(C)CCN(C(=O)c1cccc(Oc2ccccc2)c1)c1nc2ccccc2s1 ZINC000004585287 558775741 /nfs/dbraw/zinc/77/57/41/558775741.db2.gz ASXBFIYQZHLDRM-UHFFFAOYSA-N 0 1 417.534 5.297 50 0 HKAAMN CN(C)CCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1 ZINC000004585288 558775686 /nfs/dbraw/zinc/77/56/86/558775686.db2.gz JJHRWONPCOYJPE-UHFFFAOYSA-N 0 1 417.534 5.297 50 0 HKAAMN CN(C)CCN(C(=O)c1ccccc1Oc1ccccc1)c1nc2ccccc2s1 ZINC000004585293 558775648 /nfs/dbraw/zinc/77/56/48/558775648.db2.gz MTDVSRZXUYXFSJ-UHFFFAOYSA-N 0 1 417.534 5.297 50 0 HKAAMN Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2cc1C ZINC000004586164 558782032 /nfs/dbraw/zinc/78/20/32/558782032.db2.gz AIUFTVPYASXQOC-UHFFFAOYSA-N 0 1 403.551 5.275 50 0 HKAAMN Oc1ccc2cc(-c3nc(-c4ccccc4)cs3)/c(=N/c3nccs3)oc2c1 ZINC000004588422 558787648 /nfs/dbraw/zinc/78/76/48/558787648.db2.gz XRTPPTFDNWJRDY-CLCOLTQESA-N 0 1 403.488 5.618 50 0 HKAAMN CCCCCc1ccc(-c2ccc(-c3noc(-c4ccc(O)c(F)c4)n3)cc2)cc1 ZINC000004591813 558829485 /nfs/dbraw/zinc/82/94/85/558829485.db2.gz SDYGTGDZKQACTH-UHFFFAOYSA-N 0 1 402.469 6.648 50 0 HKAAMN O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(Br)cc1 ZINC000004618308 560735828 /nfs/dbraw/zinc/73/58/28/560735828.db2.gz TYKBJTYYCANUDP-UHFFFAOYSA-N 0 1 404.285 5.042 50 0 HKAAMN O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000004618399 557573178 /nfs/dbraw/zinc/57/31/78/557573178.db2.gz NOJFOUZAYUHNHP-UHFFFAOYSA-N 0 1 406.290 5.025 50 0 HKAAMN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)N2CCC(C)CC2)c1C ZINC000004618737 558865028 /nfs/dbraw/zinc/86/50/28/558865028.db2.gz ZGVVIDFNOLEKRA-OAQYLSRUSA-N 0 1 409.555 5.427 50 0 HKAAMN Cc1[nH]c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc1CC(C)C ZINC000004625895 132280617 /nfs/dbraw/zinc/28/06/17/132280617.db2.gz NHSNAWQRAVYABG-UHFFFAOYSA-N 0 1 409.580 5.838 50 0 HKAAMN Cc1cc(C)cc(N=C2C[C@H](c3cccc(F)c3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000004628761 557574191 /nfs/dbraw/zinc/57/41/91/557574191.db2.gz WTFMVOCITYXSMI-RUZDIDTESA-N 0 1 400.497 6.143 50 0 HKAAMN Cc1cc(C)cc(N=C2C[C@@H](c3cccc(F)c3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000004628763 557574183 /nfs/dbraw/zinc/57/41/83/557574183.db2.gz WTFMVOCITYXSMI-VWLOTQADSA-N 0 1 400.497 6.143 50 0 HKAAMN O=C(Nc1ccc(-c2nc3ccc4ccccc4c3[nH]2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004631436 557574618 /nfs/dbraw/zinc/57/46/18/557574618.db2.gz PJVLGXKSRIOTSV-UHFFFAOYSA-N 0 1 421.544 6.538 50 0 HKAAMN Cc1ccc(C(=O)[C@@H]2CN(C)[C@@H](c3cccs3)[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000004650794 558869375 /nfs/dbraw/zinc/86/93/75/558869375.db2.gz XNDXEIYARWEMSV-PUHATCMVSA-N 0 1 403.547 5.350 50 0 HKAAMN COc1cc(CNCc2ccccn2)ccc1OCc1c(Cl)cccc1Cl ZINC000004661544 557577872 /nfs/dbraw/zinc/57/78/72/557577872.db2.gz UNOAJOUPOZIZLR-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN COc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000004661545 557577846 /nfs/dbraw/zinc/57/78/46/557577846.db2.gz WYSSVQYAWQPWHR-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(C(F)(F)F)cc1 ZINC000004678176 558889697 /nfs/dbraw/zinc/88/96/97/558889697.db2.gz UHFUBWBTBDYNQD-UHFFFAOYSA-N 0 1 410.237 5.481 50 0 HKAAMN Cn1c(-c2cccc(Br)c2)cnc1NCc1ccc(Cl)c(Cl)c1 ZINC000004678183 558889683 /nfs/dbraw/zinc/88/96/83/558889683.db2.gz XOKCMSZZAOXOBI-UHFFFAOYSA-N 0 1 411.130 5.769 50 0 HKAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(Cl)c(Cl)c1 ZINC000004678208 558889657 /nfs/dbraw/zinc/88/96/57/558889657.db2.gz BLPJQDWLVRJIKF-UHFFFAOYSA-N 0 1 411.130 5.769 50 0 HKAAMN Cn1c(-c2cccc(Br)c2)cnc1NCc1ccc(C(F)(F)F)cc1 ZINC000004678318 558889781 /nfs/dbraw/zinc/88/97/81/558889781.db2.gz QZUBIRBLXHTCRE-UHFFFAOYSA-N 0 1 410.237 5.481 50 0 HKAAMN Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccc(C(F)(F)F)cc1 ZINC000004678322 558889763 /nfs/dbraw/zinc/88/97/63/558889763.db2.gz LTQVORZAGHPUOW-UHFFFAOYSA-N 0 1 400.231 6.025 50 0 HKAAMN Cn1c(-c2cccc(Cl)c2)cnc1NCc1cccc(OCc2ccccc2)c1 ZINC000004678340 558889810 /nfs/dbraw/zinc/88/98/10/558889810.db2.gz DYJXAYNGKXHBSF-UHFFFAOYSA-N 0 1 403.913 5.932 50 0 HKAAMN Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(Br)cc1 ZINC000004678428 558889817 /nfs/dbraw/zinc/88/98/17/558889817.db2.gz FHVFUOIYVDPPAD-UHFFFAOYSA-N 0 1 418.338 6.129 50 0 HKAAMN Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(OCc2ccccc2)cc1 ZINC000004678468 558889833 /nfs/dbraw/zinc/88/98/33/558889833.db2.gz TVLOVBBHGDLETP-UHFFFAOYSA-N 0 1 413.477 5.007 50 0 HKAAMN Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(C(F)(F)F)cc1 ZINC000004678484 558889789 /nfs/dbraw/zinc/88/97/89/558889789.db2.gz RMUMZFQAQUYSSB-UHFFFAOYSA-N 0 1 407.439 6.385 50 0 HKAAMN COc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)cc1OCc1ccccc1 ZINC000004678626 558890031 /nfs/dbraw/zinc/89/00/31/558890031.db2.gz VQZLJINCPOGLID-UHFFFAOYSA-N 0 1 417.484 5.426 50 0 HKAAMN Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(OCc2ccccc2)c1 ZINC000004678675 558890076 /nfs/dbraw/zinc/89/00/76/558890076.db2.gz VRTRREGNNUYUHY-UHFFFAOYSA-N 0 1 413.477 5.007 50 0 HKAAMN Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(Cl)c(Cl)c1 ZINC000004678678 558890001 /nfs/dbraw/zinc/89/00/01/558890001.db2.gz PFGJOPXITFFBPR-UHFFFAOYSA-N 0 1 408.332 6.673 50 0 HKAAMN Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1cccc(Br)c1 ZINC000004678680 558890052 /nfs/dbraw/zinc/89/00/52/558890052.db2.gz FFGCCBWHBJMYPQ-UHFFFAOYSA-N 0 1 418.338 6.129 50 0 HKAAMN Cc1ccc(-c2cnc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2C)cc1 ZINC000004678690 558890059 /nfs/dbraw/zinc/89/00/59/558890059.db2.gz TUDSZPMEZAYZJL-UHFFFAOYSA-N 0 1 405.586 6.308 50 0 HKAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1cccc(Cl)c1Cl ZINC000004678701 558890065 /nfs/dbraw/zinc/89/00/65/558890065.db2.gz JYPRXRVRDKFXOS-UHFFFAOYSA-N 0 1 411.130 5.769 50 0 HKAAMN Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccc(Br)cc1 ZINC000004678706 558890085 /nfs/dbraw/zinc/89/00/85/558890085.db2.gz VWIVMRKMMPCNGN-UHFFFAOYSA-N 0 1 411.130 5.769 50 0 HKAAMN Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccc(Cl)c(Cl)c1 ZINC000004678727 558890083 /nfs/dbraw/zinc/89/00/83/558890083.db2.gz OSJVZRWAQWMDBR-UHFFFAOYSA-N 0 1 401.124 6.313 50 0 HKAAMN COCCn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(Cl)c1Cl ZINC000004678793 558890078 /nfs/dbraw/zinc/89/00/78/558890078.db2.gz GLEFXSBQKAAIOA-UHFFFAOYSA-N 0 1 410.732 5.769 50 0 HKAAMN CCOc1ccc(-c2cnc(NCc3ccc(OCc4ccccc4)cc3)n2C)cc1 ZINC000004678939 558890089 /nfs/dbraw/zinc/89/00/89/558890089.db2.gz VTTSRSSHHUSIDC-UHFFFAOYSA-N 0 1 413.521 5.677 50 0 HKAAMN Cc1ccc(-c2cnc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2C)cc1C ZINC000004678994 558890080 /nfs/dbraw/zinc/89/00/80/558890080.db2.gz CXZOLAJMAYIOHJ-UHFFFAOYSA-N 0 1 419.613 6.617 50 0 HKAAMN CCOc1ccc(-c2cnc(NCc3cccc(OCc4ccccc4)c3)n2C)cc1 ZINC000004679003 558890067 /nfs/dbraw/zinc/89/00/67/558890067.db2.gz IODDZYSTXYEOQB-UHFFFAOYSA-N 0 1 413.521 5.677 50 0 HKAAMN CCOc1ccc(-c2cnc(NCc3c(Cl)cccc3Cl)n2CCOC)cc1 ZINC000004679096 558890301 /nfs/dbraw/zinc/89/03/01/558890301.db2.gz LXIBSBCSJJPIIX-UHFFFAOYSA-N 0 1 420.340 5.514 50 0 HKAAMN CCOc1ccc(-c2cnc(NCc3ccc(Cl)cc3Cl)n2CCOC)cc1 ZINC000004679100 558890284 /nfs/dbraw/zinc/89/02/84/558890284.db2.gz RHBSJAWIMZVIKV-UHFFFAOYSA-N 0 1 420.340 5.514 50 0 HKAAMN CCOc1ccc(-c2cnc(NCc3ccc(C(F)(F)F)cc3)n2CCOC)cc1 ZINC000004679221 558890248 /nfs/dbraw/zinc/89/02/48/558890248.db2.gz GXSHRJSPNGTOGD-UHFFFAOYSA-N 0 1 419.447 5.226 50 0 HKAAMN CCOc1ccc(-c2cnc(NCc3ccc(Cl)c(Cl)c3)n2CCOC)cc1 ZINC000004679224 558890236 /nfs/dbraw/zinc/89/02/36/558890236.db2.gz KBAGERDBIWGZSX-UHFFFAOYSA-N 0 1 420.340 5.514 50 0 HKAAMN CCOc1ccc(-c2cnc(NCc3cccc4ccccc43)n2CCOC)cc1 ZINC000004679229 558890219 /nfs/dbraw/zinc/89/02/19/558890219.db2.gz XAGQUXXKPOLDOJ-UHFFFAOYSA-N 0 1 401.510 5.361 50 0 HKAAMN Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1c(Cl)cccc1Cl ZINC000004679285 568935077 /nfs/dbraw/zinc/93/50/77/568935077.db2.gz VRYKKYIOFMAROE-UHFFFAOYSA-N 0 1 401.124 6.313 50 0 HKAAMN Cn1c(-c2cccc(Br)c2)cnc1NCc1c(Cl)cccc1Cl ZINC000004679286 558890243 /nfs/dbraw/zinc/89/02/43/558890243.db2.gz CNHRPVJDFHGRNU-UHFFFAOYSA-N 0 1 411.130 5.769 50 0 HKAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1c(Cl)cccc1Cl ZINC000004679306 568935183 /nfs/dbraw/zinc/93/51/83/568935183.db2.gz NDATYIUUNLDYEI-UHFFFAOYSA-N 0 1 411.130 5.769 50 0 HKAAMN Cc1ccccc1-c1nc2ccc(-c3ccc4[nH]c(-c5ccccc5C)nc4c3)cc2[nH]1 ZINC000004679327 557580292 /nfs/dbraw/zinc/58/02/92/557580292.db2.gz ORWFEYYEKLJHDR-UHFFFAOYSA-N 0 1 414.512 7.057 50 0 HKAAMN Cc1ccccc1-c1nc2ccc(-c3ccc4nc(-c5ccccc5C)[nH]c4c3)cc2[nH]1 ZINC000004679327 557580293 /nfs/dbraw/zinc/58/02/93/557580293.db2.gz ORWFEYYEKLJHDR-UHFFFAOYSA-N 0 1 414.512 7.057 50 0 HKAAMN COCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Oc2ccccc2)c1 ZINC000004679413 568935176 /nfs/dbraw/zinc/93/51/76/568935176.db2.gz RZUXZGJTZVXHSX-UHFFFAOYSA-N 0 1 417.484 5.740 50 0 HKAAMN CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1ccc(OC)c(OC)c1 ZINC000004679423 558890477 /nfs/dbraw/zinc/89/04/77/558890477.db2.gz LVTYPYZIKQBNGJ-UHFFFAOYSA-N 0 1 409.530 5.378 50 0 HKAAMN CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1c(F)cccc1Cl ZINC000004679428 558890481 /nfs/dbraw/zinc/89/04/81/558890481.db2.gz BGENTQBVVWCQJY-UHFFFAOYSA-N 0 1 401.913 6.154 50 0 HKAAMN CC(C)c1ccc([C@@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000004686204 557581157 /nfs/dbraw/zinc/58/11/57/557581157.db2.gz OEVYKBHQWZNQEP-DEOSSOPVSA-N 0 1 404.460 6.172 50 0 HKAAMN CC(C)c1ccc([C@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000004686206 557581166 /nfs/dbraw/zinc/58/11/66/557581166.db2.gz OEVYKBHQWZNQEP-XMMPIXPASA-N 0 1 404.460 6.172 50 0 HKAAMN COC(=O)c1ccccc1CN(CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000004710706 558916653 /nfs/dbraw/zinc/91/66/53/558916653.db2.gz WFNJUEPLGOBASU-UHFFFAOYSA-N 0 1 422.544 5.510 50 0 HKAAMN Fc1ccc(CNCc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004722156 557586498 /nfs/dbraw/zinc/58/64/98/557586498.db2.gz ZIGKTWFXZGGXQP-UHFFFAOYSA-N 0 1 415.556 5.769 50 0 HKAAMN O=C(c1ccccc1)c1cccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccccc2)c1 ZINC000004726073 569356903 /nfs/dbraw/zinc/35/69/03/569356903.db2.gz XADMWHUBSLIFRY-UHFFFAOYSA-N 0 1 418.471 6.781 50 0 HKAAMN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000004752218 559048780 /nfs/dbraw/zinc/04/87/80/559048780.db2.gz SAEFYKISUNHIDI-UHFFFAOYSA-N 0 1 422.544 5.211 50 0 HKAAMN CCCSc1ccc2nc(NC(=O)CSc3nc4ccccc4s3)[nH]c2c1 ZINC000004755771 557593696 /nfs/dbraw/zinc/59/36/96/557593696.db2.gz MJRINSKVOGIPOR-UHFFFAOYSA-N 0 1 414.581 5.406 50 0 HKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000004756632 557594110 /nfs/dbraw/zinc/59/41/10/557594110.db2.gz XEANCBSVLUYXPW-UHFFFAOYSA-N 0 1 414.914 5.010 50 0 HKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2C(C)C)cc1 ZINC000004809373 557599756 /nfs/dbraw/zinc/59/97/56/557599756.db2.gz ZROYOGDCXUTSFM-UHFFFAOYSA-N 0 1 408.523 5.172 50 0 HKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2)N(Cc2ccccc2)C3=O)cc1C ZINC000004809769 557599983 /nfs/dbraw/zinc/59/99/83/557599983.db2.gz GYQJUVXYXMXZKU-RUZDIDTESA-N 0 1 409.489 5.145 50 0 HKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccccc2)N(Cc2ccccc2)C3=O)cc1C ZINC000004809770 557599994 /nfs/dbraw/zinc/59/99/94/557599994.db2.gz GYQJUVXYXMXZKU-VWLOTQADSA-N 0 1 409.489 5.145 50 0 HKAAMN O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000004828783 569356912 /nfs/dbraw/zinc/35/69/12/569356912.db2.gz KFMPHWBPNODCTA-UHFFFAOYSA-N 0 1 404.624 5.466 50 0 HKAAMN CCOc1ccc2nc(SCC(=O)Nc3ccccc3-c3ccccc3)[nH]c2c1 ZINC000004830285 559157274 /nfs/dbraw/zinc/15/72/74/559157274.db2.gz DRKISMDAXDSWFT-UHFFFAOYSA-N 0 1 403.507 5.359 50 0 HKAAMN O=C1C(Nc2ccc(Cl)cc2)=C[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000004854539 559192423 /nfs/dbraw/zinc/19/24/23/559192423.db2.gz QDCUEEZQNMNPOH-NRFANRHFSA-N 0 1 413.279 6.216 50 0 HKAAMN O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000004854540 559192411 /nfs/dbraw/zinc/19/24/11/559192411.db2.gz QDCUEEZQNMNPOH-OAQYLSRUSA-N 0 1 413.279 6.216 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C)cc1 ZINC000004873392 557609092 /nfs/dbraw/zinc/60/90/92/557609092.db2.gz MVJZVOCRBWDROQ-HSZRJFAPSA-N 0 1 400.563 5.010 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C)cc1 ZINC000004873394 557609032 /nfs/dbraw/zinc/60/90/32/557609032.db2.gz MVJZVOCRBWDROQ-QHCPKHFHSA-N 0 1 400.563 5.010 50 0 HKAAMN Cc1ccc(NC(=O)NCC2CCN(Cc3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000004908826 559201086 /nfs/dbraw/zinc/20/10/86/559201086.db2.gz HZOLXPYFFFKORT-UHFFFAOYSA-N 0 1 406.357 5.336 50 0 HKAAMN COC(=O)c1ccccc1CN(CCC(C)C)Cc1cccn1Cc1ccccc1C ZINC000004920678 559206833 /nfs/dbraw/zinc/20/68/33/559206833.db2.gz QXWZRNFXZSQPJW-UHFFFAOYSA-N 0 1 418.581 5.680 50 0 HKAAMN Cc1ccc(C)c(CN(CC(=O)N2CCS[C@@H]2c2ccccc2Cl)C2CC2)c1 ZINC000004925414 557614475 /nfs/dbraw/zinc/61/44/75/557614475.db2.gz PICRONYQSFEHGK-HSZRJFAPSA-N 0 1 415.002 5.195 50 0 HKAAMN Cc1ccc(C)c(CN(CC(=O)N2CCS[C@H]2c2ccccc2Cl)C2CC2)c1 ZINC000004925418 557614372 /nfs/dbraw/zinc/61/43/72/557614372.db2.gz PICRONYQSFEHGK-QHCPKHFHSA-N 0 1 415.002 5.195 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cccc(F)c1 ZINC000004927293 559207951 /nfs/dbraw/zinc/20/79/51/559207951.db2.gz IDFZZQVBCPMDAT-JOCHJYFZSA-N 0 1 420.981 5.355 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cccc(F)c1 ZINC000004927295 559207970 /nfs/dbraw/zinc/20/79/70/559207970.db2.gz IDFZZQVBCPMDAT-QFIPXVFZSA-N 0 1 420.981 5.355 50 0 HKAAMN Cc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 ZINC000004927677 559208142 /nfs/dbraw/zinc/20/81/42/559208142.db2.gz QMHPXSLGABRSFB-UHFFFAOYSA-N 0 1 403.507 5.054 50 0 HKAAMN Cc1cccc(-c2nc(-c3ccccc3)c(SCC(=O)NCc3ccco3)[nH]2)c1 ZINC000004927679 559208133 /nfs/dbraw/zinc/20/81/33/559208133.db2.gz ZVBAWZINNKJDFM-UHFFFAOYSA-N 0 1 403.507 5.054 50 0 HKAAMN CCc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 ZINC000004927682 559208106 /nfs/dbraw/zinc/20/81/06/559208106.db2.gz MXUUKSNLYVDNSS-UHFFFAOYSA-N 0 1 417.534 5.308 50 0 HKAAMN Cc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)NCc2ccco2)cc1 ZINC000004927694 559208122 /nfs/dbraw/zinc/20/81/22/559208122.db2.gz SEPVPOJEEMKMRO-UHFFFAOYSA-N 0 1 403.507 5.054 50 0 HKAAMN Cc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccc(C)cc3)[nH]2)cc1 ZINC000004927698 559208168 /nfs/dbraw/zinc/20/81/68/559208168.db2.gz XCHPCIMLZQSARS-UHFFFAOYSA-N 0 1 417.534 5.362 50 0 HKAAMN COc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(C)cc3)[nH]2)cc1 ZINC000004927720 559208113 /nfs/dbraw/zinc/20/81/13/559208113.db2.gz WHNKJHKRLUEPLD-UHFFFAOYSA-N 0 1 421.566 5.212 50 0 HKAAMN COc1cccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(C)cc3)[nH]2)c1 ZINC000004927721 559208149 /nfs/dbraw/zinc/20/81/49/559208149.db2.gz PFPPEYUFQAZMJY-UHFFFAOYSA-N 0 1 421.566 5.212 50 0 HKAAMN COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)NC2CCCC2)cc1 ZINC000004927731 559208086 /nfs/dbraw/zinc/20/80/86/559208086.db2.gz FRLHKLLAXAUVIO-UHFFFAOYSA-N 0 1 421.566 5.212 50 0 HKAAMN Cc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)Nc3nccs3)[nH]2)cc1 ZINC000004927738 560618865 /nfs/dbraw/zinc/61/88/65/560618865.db2.gz NFYOAPIYAPLXOJ-UHFFFAOYSA-N 0 1 406.536 5.239 50 0 HKAAMN Cc1cccc(-c2nc(-c3ccccc3)c(SCC(=O)Nc3nccs3)[nH]2)c1 ZINC000004927739 559208109 /nfs/dbraw/zinc/20/81/09/559208109.db2.gz IZSBJXPSAZTYSP-UHFFFAOYSA-N 0 1 406.536 5.239 50 0 HKAAMN O=C(CSc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1)Nc1nccs1 ZINC000004927745 559208146 /nfs/dbraw/zinc/20/81/46/559208146.db2.gz BAJCFCFBQHTHIX-UHFFFAOYSA-N 0 1 410.499 5.070 50 0 HKAAMN O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccc(F)cc1)Nc1nccs1 ZINC000004927746 559208094 /nfs/dbraw/zinc/20/80/94/559208094.db2.gz MXBAQGRTIPWPLN-UHFFFAOYSA-N 0 1 410.499 5.070 50 0 HKAAMN COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccccc2)cc1 ZINC000004927903 559208232 /nfs/dbraw/zinc/20/82/32/559208232.db2.gz CWRXQRHMCKEDAM-UHFFFAOYSA-N 0 1 415.518 5.483 50 0 HKAAMN COc1ccc(NC(=O)CSc2[nH]c(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000004927906 559208289 /nfs/dbraw/zinc/20/82/89/559208289.db2.gz USYTUOOETVTZPQ-UHFFFAOYSA-N 0 1 415.518 5.483 50 0 HKAAMN O=C(CSc1[nH]c(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(F)cc1 ZINC000004927912 559208243 /nfs/dbraw/zinc/20/82/43/559208243.db2.gz BREQOJWQZHJISX-UHFFFAOYSA-N 0 1 403.482 5.614 50 0 HKAAMN CC(C)CN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000004929454 559208809 /nfs/dbraw/zinc/20/88/09/559208809.db2.gz MTYVTRSRQOWIQR-JOCHJYFZSA-N 0 1 420.981 5.211 50 0 HKAAMN CC(C)CN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000004929455 559208792 /nfs/dbraw/zinc/20/87/92/559208792.db2.gz MTYVTRSRQOWIQR-QFIPXVFZSA-N 0 1 420.981 5.211 50 0 HKAAMN CCN(CC)c1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)c(C)c1 ZINC000004949634 559214795 /nfs/dbraw/zinc/21/47/95/559214795.db2.gz XVMBJCYXYCCQDL-QHCPKHFHSA-N 0 1 420.944 5.661 50 0 HKAAMN CCN(CC)c1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)c(C)c1 ZINC000004949645 559214825 /nfs/dbraw/zinc/21/48/25/559214825.db2.gz XVMBJCYXYCCQDL-HSZRJFAPSA-N 0 1 420.944 5.661 50 0 HKAAMN Cc1cc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)nc(-c2ccccc2O)n1 ZINC000004957737 557617376 /nfs/dbraw/zinc/61/73/76/557617376.db2.gz HKBXOJGFYCXKJH-QHCPKHFHSA-N 0 1 406.489 5.513 50 0 HKAAMN Cc1cc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)nc(-c2ccccc2O)n1 ZINC000004957739 557617363 /nfs/dbraw/zinc/61/73/63/557617363.db2.gz HKBXOJGFYCXKJH-HSZRJFAPSA-N 0 1 406.489 5.513 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccccc1C ZINC000004978494 559222196 /nfs/dbraw/zinc/22/21/96/559222196.db2.gz JLSBEUXZEJPPBL-HSZRJFAPSA-N 0 1 417.018 5.525 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccccc1C ZINC000004978501 559222228 /nfs/dbraw/zinc/22/22/28/559222228.db2.gz JLSBEUXZEJPPBL-QHCPKHFHSA-N 0 1 417.018 5.525 50 0 HKAAMN COc1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccc1OCc1ccccc1 ZINC000004985365 557620894 /nfs/dbraw/zinc/62/08/94/557620894.db2.gz GYVZZFHJHVQFME-UHFFFAOYSA-N 0 1 403.497 5.703 50 0 HKAAMN COc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1OCc1ccccc1 ZINC000004985701 557620899 /nfs/dbraw/zinc/62/08/99/557620899.db2.gz VLRBSIRKSQHOLQ-UHFFFAOYSA-N 0 1 403.497 5.703 50 0 HKAAMN O=c1c(CN2CCC(Cc3ccccc3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000004988837 557621924 /nfs/dbraw/zinc/62/19/24/557621924.db2.gz XNYZSGLFSAILKQ-UHFFFAOYSA-N 0 1 402.321 5.555 50 0 HKAAMN CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccccc1OC ZINC000005007178 557624760 /nfs/dbraw/zinc/62/47/60/557624760.db2.gz NRKXKWOYAIZDRE-UHFFFAOYSA-N 0 1 419.521 5.068 50 0 biogenic HKAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000005043335 559236241 /nfs/dbraw/zinc/23/62/41/559236241.db2.gz SRSUDIAFXCVJQZ-UHFFFAOYSA-N 0 1 423.601 5.400 50 0 HKAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000005043391 559236212 /nfs/dbraw/zinc/23/62/12/559236212.db2.gz NZMPXAVHVSKSSI-WCAVRKLYSA-N 0 1 423.601 5.111 50 0 HKAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000005043407 559236220 /nfs/dbraw/zinc/23/62/20/559236220.db2.gz NZMPXAVHVSKSSI-HFJQGTKSSA-N 0 1 423.601 5.111 50 0 HKAAMN CCc1ccc(-c2nc(CN3CCC(C(=O)NC4CCCCCC4)CC3)c(C)o2)cc1 ZINC000005043501 559236354 /nfs/dbraw/zinc/23/63/54/559236354.db2.gz VTQNKODLIOJXBV-UHFFFAOYSA-N 0 1 423.601 5.263 50 0 HKAAMN CCn1c(C)nc2cc(-c3n[nH]c(-c4ccccc4)c3-c3nc4ccccc4[nH]3)ccc21 ZINC000005072700 559241644 /nfs/dbraw/zinc/24/16/44/559241644.db2.gz MIOHZXVMBTYOHC-UHFFFAOYSA-N 0 1 418.504 5.965 50 0 HKAAMN CCc1ccc(-n2c3nc(SCC(=O)C(C)(C)C)[nH]c(=O)c3sc2=S)cc1 ZINC000005091888 559243937 /nfs/dbraw/zinc/24/39/37/559243937.db2.gz XXWJKXPFWLDRJR-UHFFFAOYSA-N 0 1 419.597 5.187 50 0 HKAAMN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)o1 ZINC000005093026 559244125 /nfs/dbraw/zinc/24/41/25/559244125.db2.gz BTNJQQQLFMHFSK-QHCPKHFHSA-N 0 1 413.521 5.124 50 0 HKAAMN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)o1 ZINC000005093030 559244138 /nfs/dbraw/zinc/24/41/38/559244138.db2.gz BTNJQQQLFMHFSK-HSZRJFAPSA-N 0 1 413.521 5.124 50 0 HKAAMN COC(=O)c1ccccc1CN(CCC(C)C)Cc1cccn1Cc1ccc(C)cc1 ZINC000005097481 559245122 /nfs/dbraw/zinc/24/51/22/559245122.db2.gz GUZZJBNCABHZDS-UHFFFAOYSA-N 0 1 418.581 5.680 50 0 HKAAMN CCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2c1 ZINC000005115182 559247307 /nfs/dbraw/zinc/24/73/07/559247307.db2.gz RFTNNRHTPXDKGQ-UHFFFAOYSA-N 0 1 419.550 5.057 50 0 HKAAMN CN(C)CCN(C(=O)CCSc1ccccc1)c1nc2ccc(Cl)cc2s1 ZINC000005115335 559247322 /nfs/dbraw/zinc/24/73/22/559247322.db2.gz XESGONVWHLVDMD-UHFFFAOYSA-N 0 1 420.003 5.027 50 0 HKAAMN CCOc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc21 ZINC000005115629 559247356 /nfs/dbraw/zinc/24/73/56/559247356.db2.gz VRDIOSMTCFLAIU-UHFFFAOYSA-N 0 1 419.550 5.057 50 0 HKAAMN CN(C)CCN(C(=O)CCSc1ccccc1)c1nc2c(cccc2Cl)s1 ZINC000005121433 559247878 /nfs/dbraw/zinc/24/78/78/559247878.db2.gz QWATWOQVCQCCGO-UHFFFAOYSA-N 0 1 420.003 5.027 50 0 HKAAMN CCN(CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2cc(C)cc(C)c2s1 ZINC000005122159 559248627 /nfs/dbraw/zinc/24/86/27/559248627.db2.gz HGRUFHBSRGCCQD-UHFFFAOYSA-N 0 1 423.582 5.104 50 0 HKAAMN O=C(c1ccccc1)c1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccccc2)cc1 ZINC000005126000 559248266 /nfs/dbraw/zinc/24/82/66/559248266.db2.gz NOMHLEHUVXIIQV-UHFFFAOYSA-N 0 1 406.510 6.703 50 0 HKAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 ZINC000005163658 559275561 /nfs/dbraw/zinc/27/55/61/559275561.db2.gz WHZYEDGTWVFQTK-ZTCOLXNVSA-N 0 1 415.961 5.226 50 0 HKAAMN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 ZINC000005163660 559275588 /nfs/dbraw/zinc/27/55/88/559275588.db2.gz WHZYEDGTWVFQTK-HUVFLSCGSA-N 0 1 415.961 5.226 50 0 HKAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)n2)cc1 ZINC000005180130 559289335 /nfs/dbraw/zinc/28/93/35/559289335.db2.gz UDBLGTPYXOHZEV-HOTGVXAUSA-N 0 1 408.571 5.667 50 0 HKAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)n2)cc1 ZINC000005180131 559289380 /nfs/dbraw/zinc/28/93/80/559289380.db2.gz UDBLGTPYXOHZEV-JKSUJKDBSA-N 0 1 408.571 5.667 50 0 HKAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3[C@H](C)CC)n2)cc1 ZINC000005180132 559289369 /nfs/dbraw/zinc/28/93/69/559289369.db2.gz UDBLGTPYXOHZEV-CVEARBPZSA-N 0 1 408.571 5.667 50 0 HKAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3[C@H](C)CC)n2)cc1 ZINC000005180133 559289360 /nfs/dbraw/zinc/28/93/60/559289360.db2.gz UDBLGTPYXOHZEV-HZPDHXFCSA-N 0 1 408.571 5.667 50 0 HKAAMN CCc1ccc(-c2n[nH]c(SCc3csc(-c4cccc(OC)c4)n3)n2)cc1 ZINC000005180501 560625013 /nfs/dbraw/zinc/62/50/13/560625013.db2.gz FDRRDCNAZDDEPL-UHFFFAOYSA-N 0 1 408.552 5.459 50 0 HKAAMN CCOC(=O)c1sc2cccc(F)c2c1CSc1nc2ccc(OC)cc2[nH]1 ZINC000005185408 559290648 /nfs/dbraw/zinc/29/06/48/559290648.db2.gz OOLFMMXCDVGKLO-UHFFFAOYSA-N 0 1 416.499 5.394 50 0 HKAAMN COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccc(Cl)nc1 ZINC000005205728 557640068 /nfs/dbraw/zinc/64/00/68/557640068.db2.gz JFPAGMJGVABGQE-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000005210936 560542519 /nfs/dbraw/zinc/54/25/19/560542519.db2.gz CICSKYLXEAVYFT-KRWDZBQOSA-N 0 1 414.534 5.566 50 0 HKAAMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000005210940 560542496 /nfs/dbraw/zinc/54/24/96/560542496.db2.gz CICSKYLXEAVYFT-QGZVFWFLSA-N 0 1 414.534 5.566 50 0 HKAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1OC ZINC000005215226 560542906 /nfs/dbraw/zinc/54/29/06/560542906.db2.gz SCUTXQRXFFYAIA-IEXUWNMDSA-N 0 1 415.961 5.226 50 0 HKAAMN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1OC ZINC000005215227 560542913 /nfs/dbraw/zinc/54/29/13/560542913.db2.gz SCUTXQRXFFYAIA-FOVJLYNBSA-N 0 1 415.961 5.226 50 0 HKAAMN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c1 ZINC000005217033 560543830 /nfs/dbraw/zinc/54/38/30/560543830.db2.gz GLHGQZPOQWRWTJ-ZTCOLXNVSA-N 0 1 415.961 5.226 50 0 HKAAMN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c1 ZINC000005217037 560543836 /nfs/dbraw/zinc/54/38/36/560543836.db2.gz GLHGQZPOQWRWTJ-HUVFLSCGSA-N 0 1 415.961 5.226 50 0 HKAAMN CN(C)CCN(C(=O)CCSc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000005239536 560548948 /nfs/dbraw/zinc/54/89/48/560548948.db2.gz SFMXYPKRSKNYIC-UHFFFAOYSA-N 0 1 420.003 5.027 50 0 HKAAMN CSc1ccccc1C(=O)N(CCN(C)C)c1nc2c(s1)c(Cl)ccc2C ZINC000005242694 560549670 /nfs/dbraw/zinc/54/96/70/560549670.db2.gz HHMJXDJORANRSE-UHFFFAOYSA-N 0 1 420.003 5.188 50 0 HKAAMN CSc1cccc(C(=O)N(CCN(C)C)c2nc3c(s2)c(Cl)ccc3C)c1 ZINC000005242695 560549689 /nfs/dbraw/zinc/54/96/89/560549689.db2.gz JIQDSNVGYSKOCP-UHFFFAOYSA-N 0 1 420.003 5.188 50 0 HKAAMN CSc1cccc(C(=O)N(CCN(C)C)c2nc3c(ccc(Cl)c3C)s2)c1 ZINC000005242706 558466786 /nfs/dbraw/zinc/46/67/86/558466786.db2.gz CYJQSSMRKYCLFE-UHFFFAOYSA-N 0 1 420.003 5.188 50 0 HKAAMN CC(C)(C)C1=C[C@@]([O-])(C(F)(F)F)N(c2nc(-c3ccc(Cl)cc3)cs2)[NH2+]1 ZINC000005243166 560549942 /nfs/dbraw/zinc/54/99/42/560549942.db2.gz GPZXUDZTGMBTFC-MRXNPFEDSA-N 0 1 403.857 5.327 50 0 HKAAMN CC(C)(C)C1=C[C@]([O-])(C(F)(F)F)N(c2nc(-c3ccc(Cl)cc3)cs2)[NH2+]1 ZINC000005243167 560549966 /nfs/dbraw/zinc/54/99/66/560549966.db2.gz GPZXUDZTGMBTFC-INIZCTEOSA-N 0 1 403.857 5.327 50 0 HKAAMN CCN(CC)P(=[NH+]C(=S)[N-]Cc1ccccc1)(c1ccccc1)N(CC)CC ZINC000005259528 560625209 /nfs/dbraw/zinc/62/52/09/560625209.db2.gz GEUXPBSJMCBPGF-UHFFFAOYSA-N 0 1 416.575 5.101 50 0 HKAAMN COc1ccc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(OC)c1 ZINC000005259932 560553729 /nfs/dbraw/zinc/55/37/29/560553729.db2.gz GKOQFNKXIWZKFY-UHFFFAOYSA-N 0 1 419.587 5.875 50 0 HKAAMN C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(c1nc(-c3ccc(Cl)cc3)cs1)[NH2+]2 ZINC000005275003 560561634 /nfs/dbraw/zinc/56/16/34/560561634.db2.gz TUYBBCIRRSHTAP-OMXAPOSASA-N 0 1 415.868 5.327 50 0 HKAAMN C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(c1nc(-c3ccc(Cl)cc3)cs1)[NH2+]2 ZINC000005275005 560561625 /nfs/dbraw/zinc/56/16/25/560561625.db2.gz TUYBBCIRRSHTAP-JUKMUDQWSA-N 0 1 415.868 5.327 50 0 HKAAMN [O-][C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000005275053 560561595 /nfs/dbraw/zinc/56/15/95/560561595.db2.gz PMFZIXADCAPVCH-CXAGYDPISA-N 0 1 415.868 5.471 50 0 HKAAMN [O-][C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000005275054 560561631 /nfs/dbraw/zinc/56/16/31/560561631.db2.gz PMFZIXADCAPVCH-DYVFJYSZSA-N 0 1 415.868 5.471 50 0 HKAAMN [O-][C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000005275055 560561619 /nfs/dbraw/zinc/56/16/19/560561619.db2.gz PMFZIXADCAPVCH-SUMWQHHRSA-N 0 1 415.868 5.471 50 0 HKAAMN [O-][C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000005275056 560561669 /nfs/dbraw/zinc/56/16/69/560561669.db2.gz PMFZIXADCAPVCH-GUYCJALGSA-N 0 1 415.868 5.471 50 0 HKAAMN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000005312464 560564181 /nfs/dbraw/zinc/56/41/81/560564181.db2.gz ZSFVZIRMIITQGC-AWEZNQCLSA-N 0 1 415.946 5.090 50 0 HKAAMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000005312465 560564196 /nfs/dbraw/zinc/56/41/96/560564196.db2.gz ZSFVZIRMIITQGC-CQSZACIVSA-N 0 1 415.946 5.090 50 0 HKAAMN Cc1ccc2nc(S[C@@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)[nH]c2c1 ZINC000005356375 560569428 /nfs/dbraw/zinc/56/94/28/560569428.db2.gz GGUZLQAARUXOQU-JTQLQIEISA-N 0 1 413.852 5.663 50 0 HKAAMN Cc1ccc2nc(S[C@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)[nH]c2c1 ZINC000005356380 560569557 /nfs/dbraw/zinc/56/95/57/560569557.db2.gz GGUZLQAARUXOQU-SNVBAGLBSA-N 0 1 413.852 5.663 50 0 HKAAMN Cc1ccc2nc(SCC(=O)Nc3nc(-c4cc(C)ccc4C)cs3)[nH]c2c1 ZINC000005356946 560569614 /nfs/dbraw/zinc/56/96/14/560569614.db2.gz AQTMWCKFISEEMP-UHFFFAOYSA-N 0 1 408.552 5.342 50 0 HKAAMN c1cc(-c2nc3ccc(Cc4ccc5[nH]c(-c6ccncc6)nc5c4)cc3[nH]2)ccn1 ZINC000005409220 557651858 /nfs/dbraw/zinc/65/18/58/557651858.db2.gz VMZAASIZWIJLNQ-UHFFFAOYSA-N 0 1 402.461 5.154 50 0 HKAAMN c1cc(-c2nc3ccc(Cc4ccc5nc(-c6ccncc6)[nH]c5c4)cc3[nH]2)ccn1 ZINC000005409220 557651861 /nfs/dbraw/zinc/65/18/61/557651861.db2.gz VMZAASIZWIJLNQ-UHFFFAOYSA-N 0 1 402.461 5.154 50 0 HKAAMN CSc1ccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc1 ZINC000005441680 557653811 /nfs/dbraw/zinc/65/38/11/557653811.db2.gz NKAQKAONRBOIPW-FQEVSTJZSA-N 0 1 409.532 5.734 50 0 HKAAMN CSc1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc1 ZINC000005441765 557653854 /nfs/dbraw/zinc/65/38/54/557653854.db2.gz NKAQKAONRBOIPW-HXUWFJFHSA-N 0 1 409.532 5.734 50 0 HKAAMN CC(C)(C)[N-]C(=S)[NH+]=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C ZINC000005496304 560598109 /nfs/dbraw/zinc/59/81/09/560598109.db2.gz JWXNBHLMTHEPFQ-UHFFFAOYSA-N 0 1 414.644 6.241 50 0 HKAAMN Cc1cc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)c(C)n1CCC1=CCCCC1 ZINC000005531392 560607058 /nfs/dbraw/zinc/60/70/58/560607058.db2.gz AFKPBXCECIVFRV-UHFFFAOYSA-N 0 1 421.570 5.151 50 0 HKAAMN O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Cl)cc3Cl)cc(O)c12 ZINC000005554610 557661554 /nfs/dbraw/zinc/66/15/54/557661554.db2.gz IUELOHMKJLAZTK-UHFFFAOYSA-N 0 1 413.256 6.051 50 0 biogenic HKAAMN O=c1cc(OCc2ccc(Cl)cc2Cl)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000005554610 557661556 /nfs/dbraw/zinc/66/15/56/557661556.db2.gz IUELOHMKJLAZTK-UHFFFAOYSA-N 0 1 413.256 6.051 50 0 biogenic HKAAMN O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Cl)c(Cl)c3)cc(O)c12 ZINC000005554611 557661642 /nfs/dbraw/zinc/66/16/42/557661642.db2.gz ZNJXTBRQOAHYLB-UHFFFAOYSA-N 0 1 413.256 6.051 50 0 biogenic HKAAMN O=c1cc(-c2ccccc2)oc2cc(OCc3c(Cl)cccc3Cl)cc(O)c12 ZINC000005554614 560608953 /nfs/dbraw/zinc/60/89/53/560608953.db2.gz UBHKFFORZLPZED-UHFFFAOYSA-N 0 1 413.256 6.051 50 0 biogenic HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3cc(C(C)C)ccc3C)n2)c1O ZINC000005555498 560609046 /nfs/dbraw/zinc/60/90/46/560609046.db2.gz BAYMRMHYZUHBJF-UHFFFAOYSA-N 0 1 400.478 6.235 50 0 HKAAMN CCC(C)(C)c1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc32)cc1 ZINC000005557168 560613256 /nfs/dbraw/zinc/61/32/56/560613256.db2.gz KLAXSACKZSPKNZ-UHFFFAOYSA-N 0 1 414.505 6.491 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3cccc(OC(C)C)c3)n2)c1O ZINC000005561288 560617893 /nfs/dbraw/zinc/61/78/93/560617893.db2.gz DZJRSYCZVBPCBR-UHFFFAOYSA-N 0 1 402.450 5.591 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(Cl)c(C)c3C)n2)c1O ZINC000005561963 560618367 /nfs/dbraw/zinc/61/83/67/560618367.db2.gz KWXDRWWYSJAPFC-UHFFFAOYSA-N 0 1 406.869 6.074 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccccc3OC(C)C)n2)c1O ZINC000005562538 560618622 /nfs/dbraw/zinc/61/86/22/560618622.db2.gz LBIUQNWQIHAUJQ-UHFFFAOYSA-N 0 1 402.450 5.591 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(Cl)c(Cl)c3)n2)c1O ZINC000005573303 560624067 /nfs/dbraw/zinc/62/40/67/560624067.db2.gz LHULTKPNXLKESJ-UHFFFAOYSA-N 0 1 413.260 6.110 50 0 HKAAMN CCc1cc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc32)ccc1Cl ZINC000005576938 560624747 /nfs/dbraw/zinc/62/47/47/560624747.db2.gz VSCPCAFLKVCHNY-UHFFFAOYSA-N 0 1 406.869 6.019 50 0 HKAAMN COc1ccc(-c2[nH]c(-c3cc(OC)c(O)c(OC)c3)nc2-c2ccccc2)cc1 ZINC000005578642 557663009 /nfs/dbraw/zinc/66/30/09/557663009.db2.gz CNEAZWUKFXBZTM-UHFFFAOYSA-N 0 1 402.450 5.142 50 0 HKAAMN COc1ccc2nc(SCC(=O)Nc3ccc(/C=C/c4ccccc4)cc3)[nH]c2c1 ZINC000005595683 557664070 /nfs/dbraw/zinc/66/40/70/557664070.db2.gz JDKAWRCXJPVLFB-BQYQJAHWSA-N 0 1 415.518 5.473 50 0 HKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccc(C(C)C)cc3)C2)c(=O)o1 ZINC000005612101 560630367 /nfs/dbraw/zinc/63/03/67/560630367.db2.gz REBZSKNSOWQRKA-JOCHJYFZSA-N 0 1 405.519 6.135 50 0 biogenic HKAAMN O=C(C[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1)NCc1ccccc1 ZINC000005647124 557666366 /nfs/dbraw/zinc/66/63/66/557666366.db2.gz LLBHQKGAELZPKL-NRFANRHFSA-N 0 1 414.534 5.012 50 0 HKAAMN O=C(C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1)NCc1ccccc1 ZINC000005647127 557666353 /nfs/dbraw/zinc/66/63/53/557666353.db2.gz LLBHQKGAELZPKL-OAQYLSRUSA-N 0 1 414.534 5.012 50 0 HKAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N1c2ccccc2CCc2ccccc21 ZINC000005647829 557666325 /nfs/dbraw/zinc/66/63/25/557666325.db2.gz WRLWKWKFMYMKPP-UHFFFAOYSA-N 0 1 412.518 5.027 50 0 HKAAMN COc1ccc([C@@H](N2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000005661668 557667081 /nfs/dbraw/zinc/66/70/81/557667081.db2.gz IMOVVWMXAMCKHN-OUTSHDOLSA-N 0 1 412.514 5.269 50 0 HKAAMN COc1ccc([C@@H](N2CCCCC2)[P@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000005661669 557667019 /nfs/dbraw/zinc/66/70/19/557667019.db2.gz IMOVVWMXAMCKHN-PWUYWRBVSA-N 0 1 412.514 5.269 50 0 HKAAMN COc1ccc([C@H](N2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000005661689 557667071 /nfs/dbraw/zinc/66/70/71/557667071.db2.gz IMOVVWMXAMCKHN-GIGWZHCTSA-N 0 1 412.514 5.269 50 0 HKAAMN COc1ccc([C@H](N2CCCCC2)[P@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000005661690 557667027 /nfs/dbraw/zinc/66/70/27/557667027.db2.gz IMOVVWMXAMCKHN-FUFSCUOVSA-N 0 1 412.514 5.269 50 0 HKAAMN Clc1ccc(-c2n[nH]c(SC(c3ccccc3)c3ccccc3)n2)c(Cl)c1 ZINC000005681946 560781420 /nfs/dbraw/zinc/78/14/20/560781420.db2.gz GXDCMMCWYKXZRM-UHFFFAOYSA-N 0 1 412.345 6.660 50 0 HKAAMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccn2)N2CCCCC2)c1C ZINC000005721690 560853669 /nfs/dbraw/zinc/85/36/69/560853669.db2.gz ZCVAGUXAOUETBP-QFIPXVFZSA-N 0 1 405.567 5.588 50 0 HKAAMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccnc2)N2CCCCC2)c1C ZINC000005721692 560853720 /nfs/dbraw/zinc/85/37/20/560853720.db2.gz BMEILHJASUCBME-QFIPXVFZSA-N 0 1 405.567 5.588 50 0 HKAAMN O=C(Nc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1)C12CC3CC(CC(C3)C1)C2 ZINC000005728913 557671409 /nfs/dbraw/zinc/67/14/09/557671409.db2.gz AFEOOIZLGYEIBK-UHFFFAOYSA-N 0 1 405.929 6.038 50 0 HKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccc(N(C)C)cc3)C2)c(=O)o1 ZINC000005783403 568720060 /nfs/dbraw/zinc/72/00/60/568720060.db2.gz DFKDXSLPCQWBIQ-OAQYLSRUSA-N 0 1 406.507 5.078 50 0 biogenic HKAAMN COc1ccc(-c2nc(-c3cccc4ccccc43)c(-c3ccccc3)[nH]2)cc1OC ZINC000005807312 560858188 /nfs/dbraw/zinc/85/81/88/560858188.db2.gz WTEFDMQRKRPOTH-UHFFFAOYSA-N 0 1 406.485 6.581 50 0 HKAAMN CCCCCCOc1ccc(Nc2cc(C)nc3ccc(C(=O)OCC)cc32)cc1 ZINC000005808027 568455427 /nfs/dbraw/zinc/45/54/27/568455427.db2.gz KDACOUVEWTZNNO-UHFFFAOYSA-N 0 1 406.526 6.423 50 0 HKAAMN CCCCOC(=O)c1ccc(Nc2cc(C)nc3ccc(C(=O)OCC)cc32)cc1 ZINC000005808060 568455394 /nfs/dbraw/zinc/45/53/94/568455394.db2.gz KTSXBXURIAMHDQ-UHFFFAOYSA-N 0 1 406.482 5.420 50 0 HKAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000005808843 568455386 /nfs/dbraw/zinc/45/53/86/568455386.db2.gz TWYZERYZOWKTKD-UHFFFAOYSA-N 0 1 412.489 6.043 50 0 HKAAMN Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)N2CCC(C)CC2)c1C ZINC000005811641 568756634 /nfs/dbraw/zinc/75/66/34/568756634.db2.gz ZGVVIDFNOLEKRA-NRFANRHFSA-N 0 1 409.555 5.427 50 0 HKAAMN COc1ccc(-n2c(CCn3c4ccccc4c4ccccc43)n[nH]c2=S)cc1 ZINC000005845253 557677226 /nfs/dbraw/zinc/67/72/26/557677226.db2.gz MRZTVNROKKXHRW-UHFFFAOYSA-N 0 1 400.507 5.289 50 0 HKAAMN CCCCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1 ZINC000005860699 557677739 /nfs/dbraw/zinc/67/77/39/557677739.db2.gz GUVJWOISZDOXME-UHFFFAOYSA-N 0 1 402.343 5.672 50 0 HKAAMN Cc1ccc(-c2n[nH]c(SCc3ccc(C(=O)Nc4ccccc4)cc3)n2)cc1 ZINC000005866169 568827040 /nfs/dbraw/zinc/82/70/40/568827040.db2.gz NRZILYGOTHXWLZ-UHFFFAOYSA-N 0 1 400.507 5.325 50 0 HKAAMN Cc1ccc2nc(SCc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)[nH]c2c1 ZINC000005927789 568829834 /nfs/dbraw/zinc/82/98/34/568829834.db2.gz FTGNABBSVKNGSV-UHFFFAOYSA-N 0 1 404.520 5.129 50 0 HKAAMN O=C(c1cnc2c(c1)c(C1CCCC1)nn2-c1ccccc1)c1cc(F)ccc1O ZINC000005938827 568830657 /nfs/dbraw/zinc/83/06/57/568830657.db2.gz GCNSPSSGLJRSBT-UHFFFAOYSA-N 0 1 401.441 5.154 50 0 HKAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccc(Cl)cc1 ZINC000005999719 569060976 /nfs/dbraw/zinc/06/09/76/569060976.db2.gz NYRYUQAORGGBLL-UHFFFAOYSA-N 0 1 406.821 5.081 50 0 biogenic HKAAMN CCOc1ccc2nc(SCC(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2c1 ZINC000006000396 568834739 /nfs/dbraw/zinc/83/47/39/568834739.db2.gz URTHYNVAJXAECY-UHFFFAOYSA-N 0 1 419.506 5.485 50 0 HKAAMN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)N2CCCC2)c1C ZINC000006008422 568835049 /nfs/dbraw/zinc/83/50/49/568835049.db2.gz RHZSMEDCHRBGJR-FQEVSTJZSA-N 0 1 414.958 6.049 50 0 HKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2csc(-c3ccccc3)n2)n1 ZINC000006009408 568835035 /nfs/dbraw/zinc/83/50/35/568835035.db2.gz BNDPHRCRBKJXMV-UHFFFAOYSA-N 0 1 414.943 5.550 50 0 HKAAMN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 ZINC000006035362 568836019 /nfs/dbraw/zinc/83/60/19/568836019.db2.gz OUCDJXWHCNCBEI-KRWDZBQOSA-N 0 1 410.499 5.144 50 0 HKAAMN O=C(Nc1ccc(F)cc1)[C@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 ZINC000006035363 568836049 /nfs/dbraw/zinc/83/60/49/568836049.db2.gz OUCDJXWHCNCBEI-QGZVFWFLSA-N 0 1 410.499 5.144 50 0 HKAAMN CCCCCC(=O)Nc1ccc(C(=O)CSc2nc(-c3cccs3)n[nH]2)cc1 ZINC000006035403 568836022 /nfs/dbraw/zinc/83/60/22/568836022.db2.gz ABFSDLSGGLXWEL-UHFFFAOYSA-N 0 1 414.556 5.027 50 0 HKAAMN O=C(CN1CCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006049380 568983819 /nfs/dbraw/zinc/98/38/19/568983819.db2.gz HTDRGYKSBBXMPE-SANMLTNESA-N 0 1 411.549 5.394 50 0 HKAAMN O=C(CN1CCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000006049381 568983855 /nfs/dbraw/zinc/98/38/55/568983855.db2.gz HTDRGYKSBBXMPE-AREMUKBSSA-N 0 1 411.549 5.394 50 0 HKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)c(C)cc2C)n1 ZINC000006060082 568990052 /nfs/dbraw/zinc/99/00/52/568990052.db2.gz KCCCTURBDSTVHM-UHFFFAOYSA-N 0 1 401.919 5.034 50 0 HKAAMN Cc1cc(C)c(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)cc1C ZINC000006060087 568990083 /nfs/dbraw/zinc/99/00/83/568990083.db2.gz LSDVXLMMFPZHFK-UHFFFAOYSA-N 0 1 416.344 5.134 50 0 HKAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000006123976 132309247 /nfs/dbraw/zinc/30/92/47/132309247.db2.gz NADRGHYWFWVPPZ-UHFFFAOYSA-N 0 1 421.928 5.136 50 0 HKAAMN Nc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccc(N)cc6)[nH]c5c4)ccc3[nH]2)cc1 ZINC000006142631 569014403 /nfs/dbraw/zinc/01/44/03/569014403.db2.gz MTXGSGLDYXIXFF-UHFFFAOYSA-N 0 1 416.488 5.605 50 0 HKAAMN Nc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(N)cc6)[nH]c5c4)cc3[nH]2)cc1 ZINC000006142631 569014404 /nfs/dbraw/zinc/01/44/04/569014404.db2.gz MTXGSGLDYXIXFF-UHFFFAOYSA-N 0 1 416.488 5.605 50 0 HKAAMN CCCCCOc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccccc2Cl)c(O)c1 ZINC000006144046 569014449 /nfs/dbraw/zinc/01/44/49/569014449.db2.gz QVYLRVHOHBSHMM-UHFFFAOYSA-N 0 1 424.850 6.691 50 0 HKAAMN O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(Cl)ccc1Cl ZINC000006144272 569014458 /nfs/dbraw/zinc/01/44/58/569014458.db2.gz IMTIZQFUIHJRHA-UHFFFAOYSA-N 0 1 424.334 5.170 50 0 HKAAMN CC(C)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146054 569014691 /nfs/dbraw/zinc/01/46/91/569014691.db2.gz KAMVUNUPROBZOH-UHFFFAOYSA-N 0 1 412.486 5.002 50 0 HKAAMN O=C(Nc1cccc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006147276 569014640 /nfs/dbraw/zinc/01/46/40/569014640.db2.gz ZUKIICUGENUGBQ-UHFFFAOYSA-N 0 1 420.465 5.032 50 0 HKAAMN O=C(Nc1ccc2ccccc2c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006147285 569014636 /nfs/dbraw/zinc/01/46/36/569014636.db2.gz ZDFOLQPVWGTXMS-UHFFFAOYSA-N 0 1 420.465 5.032 50 0 HKAAMN C[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006175583 569017163 /nfs/dbraw/zinc/01/71/63/569017163.db2.gz BNJCFVMKBBNGGG-IBVKSMDESA-N 0 1 411.549 5.392 50 0 HKAAMN Cc1ccc(C)c(NC(=O)[C@H](Sc2nc(-c3ccccc3)n[nH]2)c2ccccc2)c1 ZINC000006178292 569017531 /nfs/dbraw/zinc/01/75/31/569017531.db2.gz SUVBTDTWUFIPBC-OAQYLSRUSA-N 0 1 414.534 5.561 50 0 HKAAMN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc(-c3ccccc3)n[nH]2)c2ccccc2)c1 ZINC000006178296 569017573 /nfs/dbraw/zinc/01/75/73/569017573.db2.gz SUVBTDTWUFIPBC-NRFANRHFSA-N 0 1 414.534 5.561 50 0 HKAAMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006178609 569017584 /nfs/dbraw/zinc/01/75/84/569017584.db2.gz CDJDMYBRFPHCBD-INIZCTEOSA-N 0 1 400.507 5.258 50 0 HKAAMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006178613 569017569 /nfs/dbraw/zinc/01/75/69/569017569.db2.gz CDJDMYBRFPHCBD-MRXNPFEDSA-N 0 1 400.507 5.258 50 0 HKAAMN O=S(=O)(Oc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)c1ccc(Cl)cc1 ZINC000006198909 557693757 /nfs/dbraw/zinc/69/37/57/557693757.db2.gz YSEPAJVFSAOTER-UHFFFAOYSA-N 0 1 419.289 5.304 50 0 HKAAMN C[C@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006199805 569031548 /nfs/dbraw/zinc/03/15/48/569031548.db2.gz BNJCFVMKBBNGGG-FNZWTVRRSA-N 0 1 411.549 5.392 50 0 HKAAMN COc1ccc([C@H]2CN(C)C[C@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000006228412 569033572 /nfs/dbraw/zinc/03/35/72/569033572.db2.gz LSZXSJRLEMPHQV-FGZHOGPDSA-N 0 1 411.973 5.924 50 0 HKAAMN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)[nH]2)cc1 ZINC000006240001 569034526 /nfs/dbraw/zinc/03/45/26/569034526.db2.gz FKSGXVAWCMDLAP-UHFFFAOYSA-N 0 1 418.496 7.212 50 0 HKAAMN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc3ccc(C)cc3[nH]2)c2ccccc2)c1 ZINC000006292051 557698188 /nfs/dbraw/zinc/69/81/88/557698188.db2.gz ZIZXPQKTDLNOPH-QFIPXVFZSA-N 0 1 415.518 5.546 50 0 HKAAMN CC(=O)c1cccc(NC(=O)[C@H](Sc2nc3ccc(C)cc3[nH]2)c2ccccc2)c1 ZINC000006292052 557698276 /nfs/dbraw/zinc/69/82/76/557698276.db2.gz ZIZXPQKTDLNOPH-JOCHJYFZSA-N 0 1 415.518 5.546 50 0 HKAAMN COc1cc2c(cc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C)oc1ccccc12 ZINC000006316924 560630555 /nfs/dbraw/zinc/63/05/55/560630555.db2.gz BGTVWAIALUPOGX-UHFFFAOYSA-N 0 1 409.507 5.629 50 0 HKAAMN O=S(=O)(Nc1ccccc1Oc1ccccc1)c1cccc(Br)c1 ZINC000006328363 568967750 /nfs/dbraw/zinc/96/77/50/568967750.db2.gz PVEHVKQWEJITJD-UHFFFAOYSA-N 0 1 404.285 5.042 50 0 HKAAMN CCOc1ccc(C(C)=O)cc1CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000006489594 569059569 /nfs/dbraw/zinc/05/95/69/569059569.db2.gz KTZXEZGRLCFSCT-UHFFFAOYSA-N 0 1 417.918 5.027 50 0 HKAAMN CCCN[C@H](C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)c1ccccc1 ZINC000006509332 569062133 /nfs/dbraw/zinc/06/21/33/569062133.db2.gz YJCWXWZNOKKDKR-NRFANRHFSA-N 0 1 422.550 5.271 50 0 HKAAMN CCCN[C@@H](C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)c1ccccc1 ZINC000006509333 569062130 /nfs/dbraw/zinc/06/21/30/569062130.db2.gz YJCWXWZNOKKDKR-OAQYLSRUSA-N 0 1 422.550 5.271 50 0 HKAAMN Cc1ccc2nc(SCc3csc(CC(=O)Nc4ccccc4C)n3)[nH]c2c1 ZINC000006537132 569064372 /nfs/dbraw/zinc/06/43/72/569064372.db2.gz MMAVBJUCVYLEOY-UHFFFAOYSA-N 0 1 408.552 5.110 50 0 HKAAMN CCOc1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)cc1OC ZINC000006564725 569066235 /nfs/dbraw/zinc/06/62/35/569066235.db2.gz QRKRPFFHLRFOHU-UHFFFAOYSA-N 0 1 406.313 5.413 50 0 HKAAMN Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2c1 ZINC000006566831 569066193 /nfs/dbraw/zinc/06/61/93/569066193.db2.gz LFRCZQRGFBLJKX-INIZCTEOSA-N 0 1 403.507 5.783 50 0 HKAAMN Cc1ccc2nc(SCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)[nH]c2c1 ZINC000006566834 569066183 /nfs/dbraw/zinc/06/61/83/569066183.db2.gz XDRIWAKGXCNRQY-UHFFFAOYSA-N 0 1 419.554 5.085 50 0 HKAAMN CCOc1ccccc1NC(=O)[C@H](Sc1nc2ccc(C)cc2[nH]1)c1ccccc1 ZINC000006566890 569066269 /nfs/dbraw/zinc/06/62/69/569066269.db2.gz GDXXIPLAQZMYET-JOCHJYFZSA-N 0 1 417.534 5.742 50 0 HKAAMN CCOc1ccc2nc(SCC(=O)Nc3ccc(SC(F)F)cc3)[nH]c2c1 ZINC000006567015 569066189 /nfs/dbraw/zinc/06/61/89/569066189.db2.gz DXPCNGMSUFTJTD-UHFFFAOYSA-N 0 1 409.483 5.007 50 0 HKAAMN Cc1ccccc1N(C(=O)C1COc2ccccc2O1)c1nc2ccccc2s1 ZINC000006579062 569066961 /nfs/dbraw/zinc/06/69/61/569066961.db2.gz DFQIMFRBAJDJGA-FQEVSTJZSA-N 0 1 402.475 5.109 50 0 HKAAMN Cc1ccccc1N(C(=O)C1COc2ccccc2O1)c1nc2ccccc2s1 ZINC000006579064 569066995 /nfs/dbraw/zinc/06/69/95/569066995.db2.gz DFQIMFRBAJDJGA-HXUWFJFHSA-N 0 1 402.475 5.109 50 0 HKAAMN CCCN[C@H](C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC)c1ccccc1 ZINC000006586474 569067774 /nfs/dbraw/zinc/06/77/74/569067774.db2.gz RLHVILUKSXDMCH-NRFANRHFSA-N 0 1 422.550 5.271 50 0 HKAAMN CCCN[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC)c1ccccc1 ZINC000006586475 569067772 /nfs/dbraw/zinc/06/77/72/569067772.db2.gz RLHVILUKSXDMCH-OAQYLSRUSA-N 0 1 422.550 5.271 50 0 HKAAMN CN(C)[C@@H](CNC(=O)c1oc2ccccc2c1COc1ccccc1)c1cccs1 ZINC000006587563 569067817 /nfs/dbraw/zinc/06/78/17/569067817.db2.gz CNOJXEKRQZAHLG-FQEVSTJZSA-N 0 1 420.534 5.106 50 0 HKAAMN CN(C)[C@H](CNC(=O)c1oc2ccccc2c1COc1ccccc1)c1cccs1 ZINC000006587566 569067834 /nfs/dbraw/zinc/06/78/34/569067834.db2.gz CNOJXEKRQZAHLG-HXUWFJFHSA-N 0 1 420.534 5.106 50 0 HKAAMN C[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000006592865 569068773 /nfs/dbraw/zinc/06/87/73/569068773.db2.gz BNJCFVMKBBNGGG-FQRUVTKNSA-N 0 1 411.549 5.392 50 0 HKAAMN C[C@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000006592874 569068758 /nfs/dbraw/zinc/06/87/58/569068758.db2.gz BNJCFVMKBBNGGG-RXFWQSSRSA-N 0 1 411.549 5.392 50 0 HKAAMN CC1CCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)CC1 ZINC000006598627 569069318 /nfs/dbraw/zinc/06/93/18/569069318.db2.gz PCXDEPCSYMZRTD-SANMLTNESA-N 0 1 411.549 5.249 50 0 HKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000006616564 569074713 /nfs/dbraw/zinc/07/47/13/569074713.db2.gz SCPJABMZZLHENK-FQEVSTJZSA-N 0 1 411.502 5.343 50 0 HKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000006616579 569074716 /nfs/dbraw/zinc/07/47/16/569074716.db2.gz SCPJABMZZLHENK-HXUWFJFHSA-N 0 1 411.502 5.343 50 0 HKAAMN Nc1cccc(-c2nc3ccc(-c4ccc5[nH]c(-c6cccc(N)c6)nc5c4)cc3[nH]2)c1 ZINC000006622482 557710718 /nfs/dbraw/zinc/71/07/18/557710718.db2.gz QROWVLFOWUYBIG-UHFFFAOYSA-N 0 1 416.488 5.605 50 0 HKAAMN Nc1cccc(-c2nc3ccc(-c4ccc5nc(-c6cccc(N)c6)[nH]c5c4)cc3[nH]2)c1 ZINC000006622482 557710721 /nfs/dbraw/zinc/71/07/21/557710721.db2.gz QROWVLFOWUYBIG-UHFFFAOYSA-N 0 1 416.488 5.605 50 0 HKAAMN CCCCCC(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000006655707 569082876 /nfs/dbraw/zinc/08/28/76/569082876.db2.gz BOTFGUGEFRRPDV-UHFFFAOYSA-N 0 1 403.276 5.482 50 0 HKAAMN Cc1ccc2nc(-c3cc4cc(C56CC7CC(CC(C7)C5)C6)ccc4oc3=O)[nH]c2c1 ZINC000006664340 569086063 /nfs/dbraw/zinc/08/60/63/569086063.db2.gz ATPUJAZEOYSYMH-UHFFFAOYSA-N 0 1 410.517 6.113 50 0 HKAAMN CNC(c1ccccc1)(c1ccccc1)c1ccccc1N(C)C(=O)c1ccccc1 ZINC000006668334 569086104 /nfs/dbraw/zinc/08/61/04/569086104.db2.gz QKHBQYXALAIYEZ-UHFFFAOYSA-N 0 1 406.529 5.475 50 0 HKAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc12 ZINC000006725167 132313896 /nfs/dbraw/zinc/31/38/96/132313896.db2.gz HRNVJFNSLFDEMX-UHFFFAOYSA-N 0 1 422.617 5.086 50 0 HKAAMN CC(C)c1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000006752790 569111339 /nfs/dbraw/zinc/11/13/39/569111339.db2.gz KLDHESRWJABTGG-XMMPIXPASA-N 0 1 413.477 5.244 50 0 HKAAMN CC(C)c1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000006752791 569111256 /nfs/dbraw/zinc/11/12/56/569111256.db2.gz KLDHESRWJABTGG-DEOSSOPVSA-N 0 1 413.477 5.244 50 0 HKAAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1 ZINC000006752874 569111535 /nfs/dbraw/zinc/11/15/35/569111535.db2.gz HIKROLMARGZXTK-AREMUKBSSA-N 0 1 423.516 5.133 50 0 HKAAMN CCc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1 ZINC000006752875 569111421 /nfs/dbraw/zinc/11/14/21/569111421.db2.gz HIKROLMARGZXTK-SANMLTNESA-N 0 1 423.516 5.133 50 0 HKAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000006752919 569111560 /nfs/dbraw/zinc/11/15/60/569111560.db2.gz WKFMMABAYWEZCP-LJQANCHMSA-N 0 1 402.281 5.044 50 0 HKAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000006752920 569111593 /nfs/dbraw/zinc/11/15/93/569111593.db2.gz WKFMMABAYWEZCP-IBGZPJMESA-N 0 1 402.281 5.044 50 0 HKAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCC)cc1 ZINC000006752940 569111638 /nfs/dbraw/zinc/11/16/38/569111638.db2.gz AGVLGSAQGHYIIU-XMMPIXPASA-N 0 1 419.525 5.307 50 0 HKAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCC)cc1 ZINC000006752941 569111577 /nfs/dbraw/zinc/11/15/77/569111577.db2.gz AGVLGSAQGHYIIU-DEOSSOPVSA-N 0 1 419.525 5.307 50 0 HKAAMN CCCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCC)c1 ZINC000006752954 569111603 /nfs/dbraw/zinc/11/16/03/569111603.db2.gz PVMZJQQMMJWTDC-XMMPIXPASA-N 0 1 419.525 5.307 50 0 HKAAMN CCCCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCC)c1 ZINC000006752955 569111569 /nfs/dbraw/zinc/11/15/69/569111569.db2.gz PVMZJQQMMJWTDC-DEOSSOPVSA-N 0 1 419.525 5.307 50 0 HKAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(OCCC(C)C)c1 ZINC000006752956 569111701 /nfs/dbraw/zinc/11/17/01/569111701.db2.gz WNOFILFJNBNDKL-XMMPIXPASA-N 0 1 419.525 5.162 50 0 HKAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000006752957 569111673 /nfs/dbraw/zinc/11/16/73/569111673.db2.gz WNOFILFJNBNDKL-DEOSSOPVSA-N 0 1 419.525 5.162 50 0 HKAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000006752971 569111596 /nfs/dbraw/zinc/11/15/96/569111596.db2.gz NBQJZVACLFUVKM-HXUWFJFHSA-N 0 1 416.308 5.434 50 0 HKAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000006752972 569111697 /nfs/dbraw/zinc/11/16/97/569111697.db2.gz NBQJZVACLFUVKM-FQEVSTJZSA-N 0 1 416.308 5.434 50 0 HKAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000006752977 569111675 /nfs/dbraw/zinc/11/16/75/569111675.db2.gz ORKYWVXYPKQRAD-HSZRJFAPSA-N 0 1 403.526 5.425 50 0 aggregator HKAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000006752978 569111699 /nfs/dbraw/zinc/11/16/99/569111699.db2.gz ORKYWVXYPKQRAD-QHCPKHFHSA-N 0 1 403.526 5.425 50 0 aggregator HKAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCC)cc1 ZINC000006752989 569111557 /nfs/dbraw/zinc/11/15/57/569111557.db2.gz OUCXVQLXPDBSAK-XMMPIXPASA-N 0 1 419.525 5.307 50 0 HKAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCC)cc1 ZINC000006752990 569111630 /nfs/dbraw/zinc/11/16/30/569111630.db2.gz OUCXVQLXPDBSAK-DEOSSOPVSA-N 0 1 419.525 5.307 50 0 HKAAMN CCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCC)c1 ZINC000006753001 569111634 /nfs/dbraw/zinc/11/16/34/569111634.db2.gz UKTYIBRTKGNCCH-XMMPIXPASA-N 0 1 419.525 5.307 50 0 HKAAMN CCCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCC)c1 ZINC000006753002 569111599 /nfs/dbraw/zinc/11/15/99/569111599.db2.gz UKTYIBRTKGNCCH-DEOSSOPVSA-N 0 1 419.525 5.307 50 0 HKAAMN COc1ccccc1OP(=O)(Nc1ccc(C)cn1)Oc1ccccc1OC ZINC000006793742 557721537 /nfs/dbraw/zinc/72/15/37/557721537.db2.gz NQTCDCTWTQFXSY-UHFFFAOYSA-N 0 1 400.371 5.085 50 0 HKAAMN O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)s1 ZINC000006808204 569132432 /nfs/dbraw/zinc/13/24/32/569132432.db2.gz HQYUYAGCKRKTRX-UHFFFAOYSA-N 0 1 404.579 5.100 50 0 HKAAMN C[C@@H]1CCCCN1CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808546 569132180 /nfs/dbraw/zinc/13/21/80/569132180.db2.gz VLKXZOWBFZWQCO-CYBMUJFWSA-N 0 1 407.004 5.278 50 0 HKAAMN C[C@H]1CCCCN1CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808547 569132231 /nfs/dbraw/zinc/13/22/31/569132231.db2.gz VLKXZOWBFZWQCO-ZDUSSCGKSA-N 0 1 407.004 5.278 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Nc3cc(Cl)cc(Cl)c3)n2)c1O ZINC000006848436 569153648 /nfs/dbraw/zinc/15/36/48/569153648.db2.gz KLGCORXYRMAGTA-UHFFFAOYSA-N 0 1 412.276 6.061 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Nc3ccc(Cl)c(Cl)c3)n2)c1O ZINC000006848440 569153640 /nfs/dbraw/zinc/15/36/40/569153640.db2.gz HBVXKXXAXLVDTR-UHFFFAOYSA-N 0 1 412.276 6.061 50 0 HKAAMN O=C(NC[C@H](c1ccco1)N1CCCCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000006859755 569157450 /nfs/dbraw/zinc/15/74/50/569157450.db2.gz FUZNXOMOTYQVHQ-HXUWFJFHSA-N 0 1 400.950 5.088 50 0 HKAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000006859758 569157458 /nfs/dbraw/zinc/15/74/58/569157458.db2.gz FUZNXOMOTYQVHQ-FQEVSTJZSA-N 0 1 400.950 5.088 50 0 HKAAMN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000006879943 569165261 /nfs/dbraw/zinc/16/52/61/569165261.db2.gz ATXGEERPJPITCQ-UHFFFAOYSA-N 0 1 414.534 5.106 50 0 HKAAMN CCN(CC)[C@@H](CNc1nc(C)nc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000006880948 569167764 /nfs/dbraw/zinc/16/77/64/569167764.db2.gz YCWBTMKSYLNHKT-SFHVURJKSA-N 0 1 415.006 5.637 50 0 HKAAMN CCN(CC)[C@H](CNc1nc(C)nc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000006880950 569167770 /nfs/dbraw/zinc/16/77/70/569167770.db2.gz YCWBTMKSYLNHKT-GOSISDBHSA-N 0 1 415.006 5.637 50 0 HKAAMN CCc1ccc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)cc1 ZINC000006931306 569184338 /nfs/dbraw/zinc/18/43/38/569184338.db2.gz KZTQPFUCCUGZMZ-NRFANRHFSA-N 0 1 416.502 5.363 50 0 HKAAMN CCc1ccc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)cc1 ZINC000006931318 569184349 /nfs/dbraw/zinc/18/43/49/569184349.db2.gz KZTQPFUCCUGZMZ-OAQYLSRUSA-N 0 1 416.502 5.363 50 0 HKAAMN CC1CCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)CC1 ZINC000007109748 569221415 /nfs/dbraw/zinc/22/14/15/569221415.db2.gz PCXDEPCSYMZRTD-AREMUKBSSA-N 0 1 411.549 5.249 50 0 HKAAMN Cc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2c1 ZINC000007141113 569225541 /nfs/dbraw/zinc/22/55/41/569225541.db2.gz LFRCZQRGFBLJKX-MRXNPFEDSA-N 0 1 403.507 5.783 50 0 HKAAMN CCOc1ccccc1NC(=O)[C@@H](Sc1nc2ccc(C)cc2[nH]1)c1ccccc1 ZINC000007141285 569225601 /nfs/dbraw/zinc/22/56/01/569225601.db2.gz GDXXIPLAQZMYET-QFIPXVFZSA-N 0 1 417.534 5.742 50 0 HKAAMN Cc1ccc(C(=O)[C@@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)cc1C ZINC000007252024 569230428 /nfs/dbraw/zinc/23/04/28/569230428.db2.gz KYCMZKWVASPFQN-CYBMUJFWSA-N 0 1 416.344 5.215 50 0 HKAAMN Cc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)cc1C ZINC000007252026 569230387 /nfs/dbraw/zinc/23/03/87/569230387.db2.gz KYCMZKWVASPFQN-ZDUSSCGKSA-N 0 1 416.344 5.215 50 0 HKAAMN Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc(Cl)cc4C)c3)[nH]c2c1 ZINC000007343556 569234643 /nfs/dbraw/zinc/23/46/43/569234643.db2.gz KITPVLAWTPVIQO-UHFFFAOYSA-N 0 1 405.885 5.518 50 0 HKAAMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000007471483 569240252 /nfs/dbraw/zinc/24/02/52/569240252.db2.gz BBAZIXLXIZUYAM-INIZCTEOSA-N 0 1 416.506 5.383 50 0 HKAAMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000007471488 569240274 /nfs/dbraw/zinc/24/02/74/569240274.db2.gz BBAZIXLXIZUYAM-MRXNPFEDSA-N 0 1 416.506 5.383 50 0 HKAAMN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000007471701 569240272 /nfs/dbraw/zinc/24/02/72/569240272.db2.gz MEBFHTCXBADPMO-IBGZPJMESA-N 0 1 404.470 5.083 50 0 HKAAMN O=C(Nc1ccc(F)cc1)[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000007471705 569240279 /nfs/dbraw/zinc/24/02/79/569240279.db2.gz MEBFHTCXBADPMO-LJQANCHMSA-N 0 1 404.470 5.083 50 0 HKAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(C2CC2)nc2ccccc21 ZINC000007492211 569241850 /nfs/dbraw/zinc/24/18/50/569241850.db2.gz WCNDRNATTYDGSM-UHFFFAOYSA-N 0 1 419.956 5.160 50 0 HKAAMN COc1ccc(CNCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000007538277 557745880 /nfs/dbraw/zinc/74/58/80/557745880.db2.gz FRVSZFRKKMRJHD-UHFFFAOYSA-N 0 1 402.321 5.871 50 0 HKAAMN COc1ccc(CNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000007538450 557745941 /nfs/dbraw/zinc/74/59/41/557745941.db2.gz OIZGKWIDPQCRLP-UHFFFAOYSA-N 0 1 402.321 5.871 50 0 HKAAMN CN(CC(=O)N1CCC(c2nc3ccccc3s2)CC1)[C@@H]1CCCc2ccccc21 ZINC000007583078 569283337 /nfs/dbraw/zinc/28/33/37/569283337.db2.gz LCXDIGSQFQSOEV-JOCHJYFZSA-N 0 1 419.594 5.012 50 0 HKAAMN CN(CC(=O)N1CCC(c2nc3ccccc3s2)CC1)[C@H]1CCCc2ccccc21 ZINC000007583082 569283381 /nfs/dbraw/zinc/28/33/81/569283381.db2.gz LCXDIGSQFQSOEV-QFIPXVFZSA-N 0 1 419.594 5.012 50 0 HKAAMN CN(CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[C@@H]1CCCc2ccccc21 ZINC000007583139 569283375 /nfs/dbraw/zinc/28/33/75/569283375.db2.gz MPKOXKGPBIYWGW-SIKLNZKXSA-N 0 1 419.594 5.012 50 0 HKAAMN CN(CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[C@@H]1CCCc2ccccc21 ZINC000007583144 569283331 /nfs/dbraw/zinc/28/33/31/569283331.db2.gz MPKOXKGPBIYWGW-DENIHFKCSA-N 0 1 419.594 5.012 50 0 HKAAMN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000007654098 569299101 /nfs/dbraw/zinc/29/91/01/569299101.db2.gz VYMIZTVBQATCHE-VWLOTQADSA-N 0 1 402.513 5.460 50 0 HKAAMN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000007654101 569299118 /nfs/dbraw/zinc/29/91/18/569299118.db2.gz VYMIZTVBQATCHE-RUZDIDTESA-N 0 1 402.513 5.460 50 0 HKAAMN C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000007738200 569305090 /nfs/dbraw/zinc/30/50/90/569305090.db2.gz ALNGEALSYOSMPK-NSHDSACASA-N 0 1 414.943 5.459 50 0 HKAAMN C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000007738201 560636079 /nfs/dbraw/zinc/63/60/79/560636079.db2.gz ALNGEALSYOSMPK-LLVKDONJSA-N 0 1 414.943 5.459 50 0 HKAAMN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccs1)N(C1CC1)C(c1ccccc1)=N2 ZINC000007778805 569309246 /nfs/dbraw/zinc/30/92/46/569309246.db2.gz VMLUQMKYNUHZDC-HSZRJFAPSA-N 0 1 410.546 5.888 50 0 HKAAMN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccs1)N(C1CC1)C(c1ccccc1)=N2 ZINC000007778806 569309207 /nfs/dbraw/zinc/30/92/07/569309207.db2.gz VMLUQMKYNUHZDC-QHCPKHFHSA-N 0 1 410.546 5.888 50 0 HKAAMN COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2c1 ZINC000007926702 569327236 /nfs/dbraw/zinc/32/72/36/569327236.db2.gz QDMAPLQPQOBTTI-AWEZNQCLSA-N 0 1 400.881 5.100 50 0 HKAAMN COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2c1 ZINC000007926703 569327254 /nfs/dbraw/zinc/32/72/54/569327254.db2.gz QDMAPLQPQOBTTI-CQSZACIVSA-N 0 1 400.881 5.100 50 0 HKAAMN CCOc1ccc([C@@H](C)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1OCC ZINC000007982486 568963833 /nfs/dbraw/zinc/96/38/33/568963833.db2.gz HSMKIQDTRUEWAS-QGZVFWFLSA-N 0 1 411.492 6.202 50 0 HKAAMN CCOc1ccc([C@H](C)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1OCC ZINC000007982488 568963864 /nfs/dbraw/zinc/96/38/64/568963864.db2.gz HSMKIQDTRUEWAS-KRWDZBQOSA-N 0 1 411.492 6.202 50 0 HKAAMN CCOc1cc2c(cc1CNCc1cc(Cl)c(OC(C)C)c(OC)c1)O[C@H](C)C2 ZINC000007986251 568964736 /nfs/dbraw/zinc/96/47/36/568964736.db2.gz YDFVQSMIHKOMPU-OAHLLOKOSA-N 0 1 419.949 5.148 50 0 HKAAMN CCOc1cc2c(cc1CNCc1cc(Cl)c(OC(C)C)c(OC)c1)O[C@@H](C)C2 ZINC000007986252 568964742 /nfs/dbraw/zinc/96/47/42/568964742.db2.gz YDFVQSMIHKOMPU-HNNXBMFYSA-N 0 1 419.949 5.148 50 0 HKAAMN O=C(c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)n(C2CC2)c1)c1ccccc1O ZINC000007986579 568964815 /nfs/dbraw/zinc/96/48/15/568964815.db2.gz LQXMPDXLOIGESF-UHFFFAOYSA-N 0 1 405.841 5.130 50 0 HKAAMN CCOc1ccc2nc(SCC(=O)N(CC)c3cccc4ccccc43)[nH]c2c1 ZINC000008012871 568968353 /nfs/dbraw/zinc/96/83/53/568968353.db2.gz DYJQEJRMZUAHDS-UHFFFAOYSA-N 0 1 405.523 5.260 50 0 HKAAMN Cc1ccc2nc(SCC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)[nH]c2c1 ZINC000008065672 568489965 /nfs/dbraw/zinc/48/99/65/568489965.db2.gz NKDZCPBOBGKENU-FQEVSTJZSA-N 0 1 411.527 5.070 50 0 HKAAMN Cc1ccc2nc(SCC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)[nH]c2c1 ZINC000008065675 568971152 /nfs/dbraw/zinc/97/11/52/568971152.db2.gz NKDZCPBOBGKENU-HXUWFJFHSA-N 0 1 411.527 5.070 50 0 HKAAMN Cc1ccc(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)cc1 ZINC000008132102 568975740 /nfs/dbraw/zinc/97/57/40/568975740.db2.gz WLVGIDSBLKOAIQ-GOSISDBHSA-N 0 1 406.536 5.314 50 0 HKAAMN Cc1ccc(NC(=O)[C@@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)cc1 ZINC000008132103 568975612 /nfs/dbraw/zinc/97/56/12/568975612.db2.gz WLVGIDSBLKOAIQ-SFHVURJKSA-N 0 1 406.536 5.314 50 0 HKAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)n2)cc1 ZINC000008132915 568976117 /nfs/dbraw/zinc/97/61/17/568976117.db2.gz SCYLUZFGJKJOQA-NSHDSACASA-N 0 1 407.326 5.206 50 0 HKAAMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)n2)cc1 ZINC000008132916 568976030 /nfs/dbraw/zinc/97/60/30/568976030.db2.gz SCYLUZFGJKJOQA-LLVKDONJSA-N 0 1 407.326 5.206 50 0 HKAAMN CCOc1cc(CN[C@@H](C)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000008157415 568978754 /nfs/dbraw/zinc/97/87/54/568978754.db2.gz DMIFOZPJUGWKDS-HNNXBMFYSA-N 0 1 403.881 5.901 50 0 HKAAMN CCOc1cc(CN[C@H](C)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000008157416 568978758 /nfs/dbraw/zinc/97/87/58/568978758.db2.gz DMIFOZPJUGWKDS-OAHLLOKOSA-N 0 1 403.881 5.901 50 0 HKAAMN COc1ccc(Nc2nc(CSc3nc(-c4ccc(C)cc4)n[nH]3)cs2)cc1 ZINC000008161953 568979082 /nfs/dbraw/zinc/97/90/82/568979082.db2.gz HDEDAMGVMDHKEH-UHFFFAOYSA-N 0 1 409.540 5.281 50 0 HKAAMN COc1ccc(Nc2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)cc1 ZINC000008184740 568493524 /nfs/dbraw/zinc/49/35/24/568493524.db2.gz HCPCCINPWAEHTP-UHFFFAOYSA-N 0 1 401.542 5.034 50 0 HKAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000008190169 568981061 /nfs/dbraw/zinc/98/10/61/568981061.db2.gz OIELGZOUAXBIJU-UHFFFAOYSA-N 0 1 408.508 5.056 50 0 HKAAMN CCc1cccc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)c1 ZINC000008192953 568981806 /nfs/dbraw/zinc/98/18/06/568981806.db2.gz BDQLQMSXPVKSDL-NRFANRHFSA-N 0 1 416.502 5.363 50 0 HKAAMN CCc1cccc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)c1 ZINC000008192956 568981756 /nfs/dbraw/zinc/98/17/56/568981756.db2.gz BDQLQMSXPVKSDL-OAQYLSRUSA-N 0 1 416.502 5.363 50 0 HKAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)N[C@H](c1cccs1)c1ccccc1 ZINC000008216101 568982858 /nfs/dbraw/zinc/98/28/58/568982858.db2.gz DKWUBUJGTLVQTQ-IBGZPJMESA-N 0 1 413.955 5.276 50 0 HKAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000008216106 568982934 /nfs/dbraw/zinc/98/29/34/568982934.db2.gz DKWUBUJGTLVQTQ-LJQANCHMSA-N 0 1 413.955 5.276 50 0 HKAAMN Cc1cc(C)cc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)c1 ZINC000008276328 568986934 /nfs/dbraw/zinc/98/69/34/568986934.db2.gz QBANFNNLCVYJHU-NRFANRHFSA-N 0 1 416.502 5.418 50 0 HKAAMN Cc1cc(C)cc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)c1 ZINC000008276336 568986988 /nfs/dbraw/zinc/98/69/88/568986988.db2.gz QBANFNNLCVYJHU-OAQYLSRUSA-N 0 1 416.502 5.418 50 0 HKAAMN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC(Cc3ccccc3)CC2)o1 ZINC000008324172 568990672 /nfs/dbraw/zinc/99/06/72/568990672.db2.gz YETYSELMMYQPOJ-UHFFFAOYSA-N 0 1 414.509 5.155 50 0 HKAAMN COc1ccc(-c2n[nH]c(S[C@H](C(=O)c3ccccc3)c3ccccc3)n2)cc1 ZINC000008344364 568994163 /nfs/dbraw/zinc/99/41/63/568994163.db2.gz QMXGMMZGIOXYGU-NRFANRHFSA-N 0 1 401.491 5.197 50 0 HKAAMN COc1ccc(-c2n[nH]c(S[C@@H](C(=O)c3ccccc3)c3ccccc3)n2)cc1 ZINC000008344367 568994201 /nfs/dbraw/zinc/99/42/01/568994201.db2.gz QMXGMMZGIOXYGU-OAQYLSRUSA-N 0 1 401.491 5.197 50 0 HKAAMN CCOc1cc(CNCc2cccnc2)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000008395041 568999248 /nfs/dbraw/zinc/99/92/48/568999248.db2.gz AKLLOXNCBKDOQI-UHFFFAOYSA-N 0 1 406.570 5.365 50 0 HKAAMN O=c1nc[nH]c2c1sc1nc3c(c(-c4ccc(Cl)cc4)c12)CCc1sccc1-3 ZINC000008411754 569001632 /nfs/dbraw/zinc/00/16/32/569001632.db2.gz OUNZIICWKKPBRT-UHFFFAOYSA-N 0 1 421.934 5.680 50 0 HKAAMN O=c1nc(-c2ccc(Cl)cc2)[nH]c2c1sc1nc(C(F)F)cc(C3CC3)c12 ZINC000008419174 568500617 /nfs/dbraw/zinc/50/06/17/568500617.db2.gz CRNNXRMYSTUUJQ-UHFFFAOYSA-N 0 1 403.841 5.668 50 0 HKAAMN c1ccc(-c2nc(-c3cccc4ccccc43)[nH]c2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000008424559 557787409 /nfs/dbraw/zinc/78/74/09/557787409.db2.gz WOLRODNAFFWUGI-UHFFFAOYSA-N 0 1 422.531 8.231 50 0 HKAAMN Fc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)[nH]2)cc1 ZINC000008426377 569002073 /nfs/dbraw/zinc/00/20/73/569002073.db2.gz PGVOFOFYWOPDPF-UHFFFAOYSA-N 0 1 420.512 7.918 50 0 HKAAMN Fc1cccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)[nH]2)c1 ZINC000008426389 569002219 /nfs/dbraw/zinc/00/22/19/569002219.db2.gz PPCSWBFMPHSPCU-UHFFFAOYSA-N 0 1 420.512 7.918 50 0 HKAAMN COc1ccc(NC(=O)c2ccc(CNC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000008428336 569002402 /nfs/dbraw/zinc/00/24/02/569002402.db2.gz SULUYONUMMGNBD-UHFFFAOYSA-N 0 1 422.528 5.827 50 0 HKAAMN CSc1nc2cc(Cl)c(Oc3ccc(Br)c4ccccc34)cc2[nH]1 ZINC000008437366 569003000 /nfs/dbraw/zinc/00/30/00/569003000.db2.gz UIKUMCWBHANAEL-UHFFFAOYSA-N 0 1 419.731 6.646 50 0 HKAAMN COc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008470254 557791760 /nfs/dbraw/zinc/79/17/60/557791760.db2.gz XJBKHKNVABSXAU-UHFFFAOYSA-N 0 1 403.856 5.496 50 0 HKAAMN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)[nH]c2c1 ZINC000008558697 557794961 /nfs/dbraw/zinc/79/49/61/557794961.db2.gz LYBGDMMKCIIQJP-UHFFFAOYSA-N 0 1 406.283 5.553 50 0 HKAAMN Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN(Cc1ccccc1)Cc1ccccc1 ZINC000008575167 571082425 /nfs/dbraw/zinc/08/24/25/571082425.db2.gz GRYBDOIYYMEICL-UHFFFAOYSA-N 0 1 411.549 5.517 50 0 HKAAMN CC(C)c1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1 ZINC000008606665 571092099 /nfs/dbraw/zinc/09/20/99/571092099.db2.gz YCPBQQCYNCGXLM-RUZDIDTESA-N 0 1 424.504 5.046 50 0 HKAAMN CC(C)c1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1 ZINC000008606666 571092228 /nfs/dbraw/zinc/09/22/28/571092228.db2.gz YCPBQQCYNCGXLM-VWLOTQADSA-N 0 1 424.504 5.046 50 0 HKAAMN COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCCC2)cc1 ZINC000008613328 571095435 /nfs/dbraw/zinc/09/54/35/571095435.db2.gz VGJBIBXECCWTQD-QHCPKHFHSA-N 0 1 420.553 5.324 50 0 HKAAMN COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCCC2)cc1 ZINC000008613329 571095384 /nfs/dbraw/zinc/09/53/84/571095384.db2.gz VGJBIBXECCWTQD-HSZRJFAPSA-N 0 1 420.553 5.324 50 0 HKAAMN CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCCC3)c(C)c2c1 ZINC000008613373 571095386 /nfs/dbraw/zinc/09/53/86/571095386.db2.gz ZIQCQUSQSIAMDY-QHCPKHFHSA-N 0 1 420.553 5.269 50 0 HKAAMN CCc1ccc2oc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)c(C)c2c1 ZINC000008613374 571095419 /nfs/dbraw/zinc/09/54/19/571095419.db2.gz ZIQCQUSQSIAMDY-HSZRJFAPSA-N 0 1 420.553 5.269 50 0 HKAAMN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1 ZINC000008657339 557799053 /nfs/dbraw/zinc/79/90/53/557799053.db2.gz GHWMCFIFBHSUTI-UHFFFAOYSA-N 0 1 402.497 7.086 50 0 HKAAMN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000008673963 571101003 /nfs/dbraw/zinc/10/10/03/571101003.db2.gz YLNQGZHSNVVESL-UHFFFAOYSA-N 0 1 422.440 5.880 50 0 HKAAMN CN(C)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2ccc(F)cc2s1 ZINC000008683813 571101319 /nfs/dbraw/zinc/10/13/19/571101319.db2.gz TWJVCTRJHWOADN-UHFFFAOYSA-N 0 1 418.346 5.012 50 0 HKAAMN Cc1ccc(C(C)C)c(OCCSc2nc3ccc(Br)cc3[nH]2)c1 ZINC000008715503 571105555 /nfs/dbraw/zinc/10/55/55/571105555.db2.gz RJJBTRWESMAIKF-UHFFFAOYSA-N 0 1 405.361 5.928 50 0 HKAAMN COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000008719367 571106411 /nfs/dbraw/zinc/10/64/11/571106411.db2.gz NXERYDQSZQBZDA-DEOSSOPVSA-N 0 1 416.521 5.293 50 0 HKAAMN COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000008719368 571106439 /nfs/dbraw/zinc/10/64/39/571106439.db2.gz NXERYDQSZQBZDA-XMMPIXPASA-N 0 1 416.521 5.293 50 0 HKAAMN Clc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2-c2ccccc2)c1 ZINC000008738190 557803294 /nfs/dbraw/zinc/80/32/94/557803294.db2.gz WIEATZZKVNPARK-UHFFFAOYSA-N 0 1 406.916 7.731 50 0 HKAAMN Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)[nH]2)cc1 ZINC000008740856 557803725 /nfs/dbraw/zinc/80/37/25/557803725.db2.gz RGFGCCQYJXBSFB-UHFFFAOYSA-N 0 1 422.915 7.856 50 0 HKAAMN COc1ccc2nc(SCCCC(=O)Nc3c(Cl)ccc(C)c3Cl)[nH]c2c1 ZINC000008746631 571111083 /nfs/dbraw/zinc/11/10/83/571111083.db2.gz OMMVCGMZPOQYHF-UHFFFAOYSA-N 0 1 424.353 5.698 50 0 HKAAMN CC(C)c1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008845437 571125471 /nfs/dbraw/zinc/12/54/71/571125471.db2.gz UFABVLOBXDDXDP-RUZDIDTESA-N 0 1 424.504 5.046 50 0 HKAAMN CC(C)c1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008845438 571125404 /nfs/dbraw/zinc/12/54/04/571125404.db2.gz UFABVLOBXDDXDP-VWLOTQADSA-N 0 1 424.504 5.046 50 0 HKAAMN Cc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3O)C(=O)N2CCc2ccccc2)cc1 ZINC000008845748 571125431 /nfs/dbraw/zinc/12/54/31/571125431.db2.gz KPISOSJJJZONSM-AREMUKBSSA-N 0 1 423.516 5.187 50 0 HKAAMN Cc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3O)C(=O)N2CCc2ccccc2)cc1 ZINC000008845749 571125435 /nfs/dbraw/zinc/12/54/35/571125435.db2.gz KPISOSJJJZONSM-SANMLTNESA-N 0 1 423.516 5.187 50 0 HKAAMN Cc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3O)C(=O)N2Cc2ccccc2)cc1 ZINC000008845750 571125517 /nfs/dbraw/zinc/12/55/17/571125517.db2.gz UBUZBCNKVMYHJZ-RUZDIDTESA-N 0 1 409.489 5.145 50 0 HKAAMN Cc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3O)C(=O)N2Cc2ccccc2)cc1 ZINC000008845751 571125459 /nfs/dbraw/zinc/12/54/59/571125459.db2.gz UBUZBCNKVMYHJZ-VWLOTQADSA-N 0 1 409.489 5.145 50 0 HKAAMN Oc1ccc(-c2nc(-c3ccc(Sc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000008854935 571127667 /nfs/dbraw/zinc/12/76/67/571127667.db2.gz ZALGLWYUPDYKBP-UHFFFAOYSA-N 0 1 420.537 7.268 50 0 HKAAMN Cc1cc(C)cc(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 ZINC000008860822 571128412 /nfs/dbraw/zinc/12/84/12/571128412.db2.gz AJYCJROENKLXRD-LJQANCHMSA-N 0 1 420.563 5.622 50 0 HKAAMN Cc1cc(C)cc(NC(=O)[C@@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 ZINC000008860824 571128397 /nfs/dbraw/zinc/12/83/97/571128397.db2.gz AJYCJROENKLXRD-IBGZPJMESA-N 0 1 420.563 5.622 50 0 HKAAMN O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000008864664 571128939 /nfs/dbraw/zinc/12/89/39/571128939.db2.gz WXDUPUDOVILLLI-UHFFFAOYSA-N 0 1 400.912 5.418 50 0 HKAAMN COc1ccccc1-c1c(C(F)(F)F)n[nH]c1-c1ccc(OCC=C(C)C)cc1O ZINC000008914261 571150339 /nfs/dbraw/zinc/15/03/39/571150339.db2.gz QQKAKXMVDJQVPG-UHFFFAOYSA-N 0 1 418.415 5.822 50 0 HKAAMN COc1ccc(-c2nnc([C@H](C)N3CCCCC[C@@H]3c3ccc(OC)cc3)o2)cc1 ZINC000008920732 571155162 /nfs/dbraw/zinc/15/51/62/571155162.db2.gz UMCNQFZUFPNORF-HTAPYJJXSA-N 0 1 407.514 5.432 50 0 HKAAMN COc1ccc(-c2nnc([C@@H](C)N3CCCCC[C@@H]3c3ccc(OC)cc3)o2)cc1 ZINC000008920739 571155217 /nfs/dbraw/zinc/15/52/17/571155217.db2.gz UMCNQFZUFPNORF-VGOFRKELSA-N 0 1 407.514 5.432 50 0 HKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2cc3ccccc3nc2Cl)n1 ZINC000008984442 571205718 /nfs/dbraw/zinc/20/57/18/571205718.db2.gz QRGFIDCOQLLWEQ-UHFFFAOYSA-N 0 1 417.321 5.628 50 0 HKAAMN Oc1cc(OCc2ccccc2)ccc1-c1[nH]nc(C(F)(F)F)c1-c1ccccc1 ZINC000008996120 571208872 /nfs/dbraw/zinc/20/88/72/571208872.db2.gz QPCMHOUVLFRVAS-UHFFFAOYSA-N 0 1 410.395 6.047 50 0 HKAAMN Brc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1 ZINC000008996928 571209050 /nfs/dbraw/zinc/20/90/50/571209050.db2.gz TVXCWALHVIXKJN-UHFFFAOYSA-N 0 1 414.306 6.655 50 0 HKAAMN COc1cc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc(OC)c1OC ZINC000009088953 571220027 /nfs/dbraw/zinc/22/00/27/571220027.db2.gz KNYHAQSCNFCFLM-UHFFFAOYSA-N 0 1 420.896 6.090 50 0 HKAAMN CN1CCN(c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)CC1 ZINC000009159138 132336689 /nfs/dbraw/zinc/33/66/89/132336689.db2.gz XWMSUDQLDIMXDA-UHFFFAOYSA-N 0 1 420.365 5.212 50 0 HKAAMN COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 ZINC000009160032 571232297 /nfs/dbraw/zinc/23/22/97/571232297.db2.gz XGYANNNTZKAEGY-UHFFFAOYSA-N 0 1 413.193 5.239 50 0 HKAAMN Cc1ccc2nc(-c3cc4cc(Cc5ccccc5Cl)ccc4oc3=O)[nH]c2c1 ZINC000009187373 571235108 /nfs/dbraw/zinc/23/51/08/571235108.db2.gz OTFGGOWTSBJRGN-UHFFFAOYSA-N 0 1 400.865 5.889 50 0 HKAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)N1c2ccccc2CCc2ccccc21 ZINC000009191548 557827110 /nfs/dbraw/zinc/82/71/10/557827110.db2.gz CHMBGHCGGUYXEA-UHFFFAOYSA-N 0 1 419.937 5.772 50 0 HKAAMN Cc1nc(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)[nH]c1-c1ccccc1 ZINC000009191771 557827027 /nfs/dbraw/zinc/82/70/27/557827027.db2.gz CVUXCUBUHXZIMY-QHCPKHFHSA-N 0 1 413.546 5.535 50 0 HKAAMN Cc1nc(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)[nH]c1-c1ccccc1 ZINC000009191773 557827092 /nfs/dbraw/zinc/82/70/92/557827092.db2.gz CVUXCUBUHXZIMY-HSZRJFAPSA-N 0 1 413.546 5.535 50 0 HKAAMN COc1ccc2nc(SCc3csc(N(C(C)=O)c4cccc(C)c4)n3)[nH]c2c1 ZINC000009198703 571236092 /nfs/dbraw/zinc/23/60/92/571236092.db2.gz AKGSZYDVKQRSMM-UHFFFAOYSA-N 0 1 424.551 5.313 50 0 HKAAMN CCOc1ccc2nc(SCC(=O)N[C@H](c3cccs3)c3ccccc3)[nH]c2c1 ZINC000009199857 571236130 /nfs/dbraw/zinc/23/61/30/571236130.db2.gz LYGJHLFXVVOHOC-NRFANRHFSA-N 0 1 423.563 5.021 50 0 HKAAMN CCOc1ccc2nc(SCC(=O)N[C@@H](c3cccs3)c3ccccc3)[nH]c2c1 ZINC000009199875 571236098 /nfs/dbraw/zinc/23/60/98/571236098.db2.gz LYGJHLFXVVOHOC-OAQYLSRUSA-N 0 1 423.563 5.021 50 0 HKAAMN CCN(CC)Cc1nc2sc(C)c(C)c2c(NCc2nccc3ccccc32)n1 ZINC000009221149 571238289 /nfs/dbraw/zinc/23/82/89/571238289.db2.gz XGBZXQRCEMIWSG-UHFFFAOYSA-N 0 1 405.571 5.310 50 0 HKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cccc3ccccc32)n1 ZINC000009226308 571239094 /nfs/dbraw/zinc/23/90/94/571239094.db2.gz LCRMQQPAPJHRNF-UHFFFAOYSA-N 0 1 424.913 5.018 50 0 HKAAMN Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccccc1Cl ZINC000009278567 557016705 /nfs/dbraw/zinc/01/67/05/557016705.db2.gz FBTRPOHUTLTXKQ-UHFFFAOYSA-N 0 1 415.927 5.121 50 0 HKAAMN Fc1ccc(OCc2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)cc1 ZINC000009336641 571249157 /nfs/dbraw/zinc/24/91/57/571249157.db2.gz YUXKVYAVPDFTJT-UHFFFAOYSA-N 0 1 404.517 5.000 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(-c4ccccc4)cc3)n2)c1O ZINC000009345724 571250269 /nfs/dbraw/zinc/25/02/69/571250269.db2.gz HTXUPWFGFJGURA-UHFFFAOYSA-N 0 1 420.468 6.470 50 0 HKAAMN Cc1ccc(C)c(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 ZINC000009365798 571251897 /nfs/dbraw/zinc/25/18/97/571251897.db2.gz UTVWSUJSQGVSQV-LJQANCHMSA-N 0 1 420.563 5.622 50 0 HKAAMN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 ZINC000009365799 571251954 /nfs/dbraw/zinc/25/19/54/571251954.db2.gz UTVWSUJSQGVSQV-IBGZPJMESA-N 0 1 420.563 5.622 50 0 HKAAMN O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1C(F)(F)F ZINC000009367492 571252307 /nfs/dbraw/zinc/25/23/07/571252307.db2.gz JESCTCQPDHESJC-UHFFFAOYSA-N 0 1 418.396 5.314 50 0 HKAAMN COc1ccccc1[C@@H]1c2c(n[nH]c2-c2ccc(C)cc2)C(=O)N1[C@H]1C=CC(F)=CC1 ZINC000009374997 571252607 /nfs/dbraw/zinc/25/26/07/571252607.db2.gz PLXXGFPCKRYQJD-MHECFPHRSA-N 0 1 415.468 5.121 50 0 HKAAMN COc1ccccc1[C@H]1c2c(n[nH]c2-c2ccc(C)cc2)C(=O)N1[C@H]1C=CC(F)=CC1 ZINC000009374998 571252621 /nfs/dbraw/zinc/25/26/21/571252621.db2.gz PLXXGFPCKRYQJD-UUOWRZLLSA-N 0 1 415.468 5.121 50 0 HKAAMN COc1ccccc1[C@@H]1c2c(n[nH]c2-c2ccc(C)cc2)C(=O)N1[C@@H]1C=CC(F)=CC1 ZINC000009374999 571252683 /nfs/dbraw/zinc/25/26/83/571252683.db2.gz PLXXGFPCKRYQJD-HOYKHHGWSA-N 0 1 415.468 5.121 50 0 HKAAMN COc1ccccc1[C@H]1c2c(n[nH]c2-c2ccc(C)cc2)C(=O)N1[C@@H]1C=CC(F)=CC1 ZINC000009375000 571252718 /nfs/dbraw/zinc/25/27/18/571252718.db2.gz PLXXGFPCKRYQJD-KOSHJBKYSA-N 0 1 415.468 5.121 50 0 HKAAMN Clc1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCCC6)[nH]n2)cc1 ZINC000009410907 571255854 /nfs/dbraw/zinc/25/58/54/571255854.db2.gz DOTVIYPMGKKYTA-UHFFFAOYSA-N 0 1 420.929 5.318 50 0 HKAAMN Fc1ccccc1-c1nc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)[nH]1 ZINC000009434180 571258746 /nfs/dbraw/zinc/25/87/46/571258746.db2.gz ACWCEEFSDUWCRS-UHFFFAOYSA-N 0 1 420.512 7.918 50 0 HKAAMN Cc1ccc(Cl)cc1-n1c(=O)c2cn[nH]c2nc1SCc1ccccc1Cl ZINC000009495561 571263078 /nfs/dbraw/zinc/26/30/78/571263078.db2.gz FQEYGUYJNODHFO-UHFFFAOYSA-N 0 1 417.321 5.016 50 0 HKAAMN CCc1c(C)sc2c1CCN(CC(=O)NCCC1=CCCCC1)[C@@H]2c1ccccc1 ZINC000009527704 571266225 /nfs/dbraw/zinc/26/62/25/571266225.db2.gz KDFGBMSQPFATFH-RUZDIDTESA-N 0 1 422.638 5.573 50 0 HKAAMN CCc1c(C)sc2c1CCN(CC(=O)NCCC1=CCCCC1)[C@H]2c1ccccc1 ZINC000009527705 571266282 /nfs/dbraw/zinc/26/62/82/571266282.db2.gz KDFGBMSQPFATFH-VWLOTQADSA-N 0 1 422.638 5.573 50 0 HKAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 ZINC000009539493 571267328 /nfs/dbraw/zinc/26/73/28/571267328.db2.gz LAKAGYKBMJKZIV-UHFFFAOYSA-N 0 1 421.305 5.047 50 0 HKAAMN Oc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)[nH]2)cc1 ZINC000009601561 571272992 /nfs/dbraw/zinc/27/29/92/571272992.db2.gz WMYYJQHRIUZCKF-UHFFFAOYSA-N 0 1 418.521 7.484 50 0 HKAAMN Fc1ccccc1-c1nc(-c2ccc3c(c2)sc2ccccc23)c(-c2ccccc2)[nH]1 ZINC000009601564 571273005 /nfs/dbraw/zinc/27/30/05/571273005.db2.gz NUADQZWXCJPIKO-UHFFFAOYSA-N 0 1 420.512 7.918 50 0 HKAAMN Brc1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1 ZINC000009638104 571275316 /nfs/dbraw/zinc/27/53/16/571275316.db2.gz ACRINOKHDXZKNC-UHFFFAOYSA-N 0 1 417.266 5.709 50 0 HKAAMN Cc1cc(NC(=O)[C@@H](Sc2nc(C)c(-c3ccccc3)[nH]2)c2ccccc2)no1 ZINC000009667850 557848028 /nfs/dbraw/zinc/84/80/28/557848028.db2.gz UGZBKZDKOVCDHW-FQEVSTJZSA-N 0 1 404.495 5.154 50 0 HKAAMN Cc1cc(NC(=O)[C@H](Sc2nc(C)c(-c3ccccc3)[nH]2)c2ccccc2)no1 ZINC000009668770 557848057 /nfs/dbraw/zinc/84/80/57/557848057.db2.gz UGZBKZDKOVCDHW-HXUWFJFHSA-N 0 1 404.495 5.154 50 0 HKAAMN O=C(CSc1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccccc1)NCc1ccco1 ZINC000009674108 571278851 /nfs/dbraw/zinc/27/88/51/571278851.db2.gz QGUCNPHBLBWXRP-UHFFFAOYSA-N 0 1 423.925 5.399 50 0 HKAAMN Cc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)NCc2ccco2)cc1 ZINC000009674113 571278853 /nfs/dbraw/zinc/27/88/53/571278853.db2.gz OZSYFJQCULHQJO-UHFFFAOYSA-N 0 1 421.497 5.193 50 0 HKAAMN Cc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000009674116 571278886 /nfs/dbraw/zinc/27/88/86/571278886.db2.gz VJGFBVCZVPNZCE-UHFFFAOYSA-N 0 1 421.497 5.193 50 0 HKAAMN O=C(CSc1[nH]c(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCc1ccco1 ZINC000009674123 571278849 /nfs/dbraw/zinc/27/88/49/571278849.db2.gz LOHASLJKVVOWDV-UHFFFAOYSA-N 0 1 423.925 5.399 50 0 HKAAMN Clc1ccc(-c2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)c(Cl)c1 ZINC000009699126 560759854 /nfs/dbraw/zinc/75/98/54/560759854.db2.gz UUZXCRWFUKDPJP-UHFFFAOYSA-N 0 1 404.282 5.121 50 0 HKAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009714438 571281486 /nfs/dbraw/zinc/28/14/86/571281486.db2.gz JJNUCNZRMBHMFX-UHFFFAOYSA-N 0 1 420.243 5.619 50 0 HKAAMN Cc1ccc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)cc1F ZINC000009737905 571283183 /nfs/dbraw/zinc/28/31/83/571283183.db2.gz XHIIVQLRYLZNIZ-FQEVSTJZSA-N 0 1 420.465 5.249 50 0 HKAAMN Cc1ccc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)cc1F ZINC000009737911 571283165 /nfs/dbraw/zinc/28/31/65/571283165.db2.gz XHIIVQLRYLZNIZ-HXUWFJFHSA-N 0 1 420.465 5.249 50 0 HKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3cccnc3)ccc2nc2c1CCCC2 ZINC000009777105 571285000 /nfs/dbraw/zinc/28/50/00/571285000.db2.gz DTZNJTYWYSQMNX-UHFFFAOYSA-N 0 1 424.504 5.513 50 0 HKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3ccccn3)ccc2nc2c1CCCC2 ZINC000009777106 571285019 /nfs/dbraw/zinc/28/50/19/571285019.db2.gz ZKKDYUMOEQPIOV-UHFFFAOYSA-N 0 1 424.504 5.513 50 0 HKAAMN Fc1ccccc1-c1nc(-c2ccc(Sc3ccccc3)cc2)c(-c2ccccc2)[nH]1 ZINC000009779925 571285127 /nfs/dbraw/zinc/28/51/27/571285127.db2.gz YTFOPIICVWKPAV-UHFFFAOYSA-N 0 1 422.528 7.701 50 0 HKAAMN Fc1cccc(-c2nc(-c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)[nH]2)c1 ZINC000009779928 571285178 /nfs/dbraw/zinc/28/51/78/571285178.db2.gz CTBQCWPWTAQGEY-UHFFFAOYSA-N 0 1 420.512 7.918 50 0 HKAAMN Oc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)[nH]2)cc1 ZINC000009779931 571285139 /nfs/dbraw/zinc/28/51/39/571285139.db2.gz YSCADDCFEMGGPZ-UHFFFAOYSA-N 0 1 418.521 7.484 50 0 HKAAMN Oc1ccccc1-c1nc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)[nH]1 ZINC000009779934 571285176 /nfs/dbraw/zinc/28/51/76/571285176.db2.gz WSSDKSSVFISZBA-UHFFFAOYSA-N 0 1 418.521 7.484 50 0 HKAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@H](C)Sc4ccccc43)n2)cc1 ZINC000009780293 571285121 /nfs/dbraw/zinc/28/51/21/571285121.db2.gz VTFXYULLZAVNCK-HNNXBMFYSA-N 0 1 424.595 5.044 50 0 HKAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)n2)cc1 ZINC000009780295 571285174 /nfs/dbraw/zinc/28/51/74/571285174.db2.gz VTFXYULLZAVNCK-OAHLLOKOSA-N 0 1 424.595 5.044 50 0 HKAAMN Cn1c(-c2cccc(Br)c2)cnc1NCc1ccc(Br)cc1 ZINC000009805794 571285900 /nfs/dbraw/zinc/28/59/00/571285900.db2.gz HMHRWHLBTROQRT-UHFFFAOYSA-N 0 1 421.136 5.224 50 0 HKAAMN COc1ccc(CNc2ncc(-c3cccc(Br)c3)n2C)c2ccccc12 ZINC000009805799 571285973 /nfs/dbraw/zinc/28/59/73/571285973.db2.gz FFWSFELNHHALIO-UHFFFAOYSA-N 0 1 422.326 5.624 50 0 HKAAMN COc1cc(CNc2ncc(-c3ccc(F)cc3)n2C)ccc1OCc1ccccc1 ZINC000009805814 571285932 /nfs/dbraw/zinc/28/59/32/571285932.db2.gz RIWPLABTXWDPLC-UHFFFAOYSA-N 0 1 417.484 5.426 50 0 HKAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(Br)cc1 ZINC000009849420 571288183 /nfs/dbraw/zinc/28/81/83/571288183.db2.gz ZQTZBVGWJXBIBT-UHFFFAOYSA-N 0 1 421.136 5.224 50 0 HKAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1cccc(Br)c1 ZINC000009849628 571288252 /nfs/dbraw/zinc/28/82/52/571288252.db2.gz CVSWYAYEWLONBQ-UHFFFAOYSA-N 0 1 421.136 5.224 50 0 HKAAMN COCCn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(Br)cc1 ZINC000009851264 571288288 /nfs/dbraw/zinc/28/82/88/571288288.db2.gz UVPRLJHXMWLSLY-UHFFFAOYSA-N 0 1 420.738 5.225 50 0 HKAAMN Cc1[nH]c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc1Cc1ccccc1 ZINC000009869062 569251194 /nfs/dbraw/zinc/25/11/94/569251194.db2.gz DGSMZMKGKAVOIP-ZDUSSCGKSA-N 0 1 420.365 5.735 50 0 HKAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc1Cc1ccccc1 ZINC000009869069 569251161 /nfs/dbraw/zinc/25/11/61/569251161.db2.gz DGSMZMKGKAVOIP-CYBMUJFWSA-N 0 1 420.365 5.735 50 0 HKAAMN CCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000009942068 571291066 /nfs/dbraw/zinc/29/10/66/571291066.db2.gz PCCQPCXCYQGDJN-UHFFFAOYSA-N 0 1 410.949 5.338 50 0 HKAAMN Cn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000009942259 571291102 /nfs/dbraw/zinc/29/11/02/571291102.db2.gz VXXGADQDJADNGV-UHFFFAOYSA-N 0 1 418.585 5.499 50 0 HKAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000009942417 571291132 /nfs/dbraw/zinc/29/11/32/571291132.db2.gz PNUAYNZNCUMOEL-UHFFFAOYSA-N 0 1 404.558 5.383 50 0 HKAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000009942421 571291154 /nfs/dbraw/zinc/29/11/54/571291154.db2.gz VGPQLYDTLUYHEI-UHFFFAOYSA-N 0 1 404.558 5.383 50 0 HKAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000009942425 571291110 /nfs/dbraw/zinc/29/11/10/571291110.db2.gz ZSUUUNLBZJTWPH-UHFFFAOYSA-N 0 1 424.976 5.728 50 0 HKAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000009942430 571291162 /nfs/dbraw/zinc/29/11/62/571291162.db2.gz FMFFMLGQVPPNIQ-UHFFFAOYSA-N 0 1 424.976 5.728 50 0 HKAAMN Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C(C)C ZINC000009942785 571291192 /nfs/dbraw/zinc/29/11/92/571291192.db2.gz ARAUNQXZEPXBEG-UHFFFAOYSA-N 0 1 404.558 5.554 50 0 HKAAMN CC(C)n1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000009942793 571291113 /nfs/dbraw/zinc/29/11/13/571291113.db2.gz OJCOWMDWKOLJDR-UHFFFAOYSA-N 0 1 420.557 5.011 50 0 HKAAMN O=C(CCCSc1nc(-c2ccccc2Br)n[nH]1)c1ccc(F)cc1 ZINC000009949011 571291259 /nfs/dbraw/zinc/29/12/59/571291259.db2.gz BUXICDQRJDAHBS-UHFFFAOYSA-N 0 1 420.307 5.129 50 0 HKAAMN O=C(C1COc2ccccc2O1)N(c1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000009949746 571291370 /nfs/dbraw/zinc/29/13/70/571291370.db2.gz GQKRZCFXAAQNTF-IBGZPJMESA-N 0 1 422.893 5.454 50 0 HKAAMN O=C(C1COc2ccccc2O1)N(c1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000009949748 571291352 /nfs/dbraw/zinc/29/13/52/571291352.db2.gz GQKRZCFXAAQNTF-LJQANCHMSA-N 0 1 422.893 5.454 50 0 HKAAMN O=C(C1COc2ccccc2O1)N(c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000009949751 571291359 /nfs/dbraw/zinc/29/13/59/571291359.db2.gz WDJCFOBTPXZGTO-IBGZPJMESA-N 0 1 422.893 5.454 50 0 HKAAMN O=C(C1COc2ccccc2O1)N(c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000009949753 571291384 /nfs/dbraw/zinc/29/13/84/571291384.db2.gz WDJCFOBTPXZGTO-LJQANCHMSA-N 0 1 422.893 5.454 50 0 HKAAMN CCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000009958744 571291792 /nfs/dbraw/zinc/29/17/92/571291792.db2.gz KMMMYQNCRMHECN-UHFFFAOYSA-N 0 1 410.949 5.338 50 0 HKAAMN Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CN2CCCCCC2)n3C(C)C)c1 ZINC000009959466 571291995 /nfs/dbraw/zinc/29/19/95/571291995.db2.gz GIXAIRSMGDIXDD-UHFFFAOYSA-N 0 1 404.558 5.554 50 0 HKAAMN CC(C)n1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000009959472 571291957 /nfs/dbraw/zinc/29/19/57/571291957.db2.gz PFPSJNHIXWPRDM-UHFFFAOYSA-N 0 1 424.976 5.899 50 0 HKAAMN CC(C)n1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000009959474 571292024 /nfs/dbraw/zinc/29/20/24/571292024.db2.gz JHGCSPPYQCSQJS-UHFFFAOYSA-N 0 1 424.976 5.899 50 0 HKAAMN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCCCCC2)n3C(C)C)cc1 ZINC000009959477 571292059 /nfs/dbraw/zinc/29/20/59/571292059.db2.gz GHSATKIYJQTZKT-UHFFFAOYSA-N 0 1 420.557 5.254 50 0 HKAAMN COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C(C)C ZINC000009959479 571292067 /nfs/dbraw/zinc/29/20/67/571292067.db2.gz XZFXAGROCKZRJC-UHFFFAOYSA-N 0 1 420.557 5.254 50 0 HKAAMN CN1CCN(c2ccccc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000010035075 536424268 /nfs/dbraw/zinc/42/42/68/536424268.db2.gz VINSAJCURLWEDS-UHFFFAOYSA-N 0 1 420.365 5.212 50 0 HKAAMN Brc1ccc(NC2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000010060499 569253168 /nfs/dbraw/zinc/25/31/68/569253168.db2.gz SXOVMGPGDPZANV-UHFFFAOYSA-N 0 1 424.180 5.288 50 0 HKAAMN Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc2c1C ZINC000010066144 571294689 /nfs/dbraw/zinc/29/46/89/571294689.db2.gz ASADEVBBWALWNL-UHFFFAOYSA-N 0 1 403.551 5.275 50 0 HKAAMN Cc1cc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc2c(C)c1 ZINC000010066181 571294733 /nfs/dbraw/zinc/29/47/33/571294733.db2.gz OZOZISVAGMMKRA-UHFFFAOYSA-N 0 1 403.551 5.275 50 0 HKAAMN Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2c(C)c1 ZINC000010066218 571294739 /nfs/dbraw/zinc/29/47/39/571294739.db2.gz ANKZHYCRVTXOGK-UHFFFAOYSA-N 0 1 403.551 5.275 50 0 HKAAMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140234 571295472 /nfs/dbraw/zinc/29/54/72/571295472.db2.gz BQKQPZJFJFQQJF-HNNXBMFYSA-N 0 1 411.933 5.037 50 0 HKAAMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140235 571295432 /nfs/dbraw/zinc/29/54/32/571295432.db2.gz BQKQPZJFJFQQJF-OAHLLOKOSA-N 0 1 411.933 5.037 50 0 HKAAMN COc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc43)CC2)cc1Cl ZINC000010225103 571297260 /nfs/dbraw/zinc/29/72/60/571297260.db2.gz ALMDPPGLURKODS-HNNXBMFYSA-N 0 1 411.933 5.037 50 0 HKAAMN COc1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc43)CC2)cc1Cl ZINC000010225105 571297284 /nfs/dbraw/zinc/29/72/84/571297284.db2.gz ALMDPPGLURKODS-OAHLLOKOSA-N 0 1 411.933 5.037 50 0 HKAAMN Clc1ccccc1CNCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474111 558257943 /nfs/dbraw/zinc/25/79/43/558257943.db2.gz CPZTWPDOIXATOJ-UHFFFAOYSA-N 0 1 416.746 5.971 50 0 HKAAMN CCCc1nc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n[nH]1 ZINC000011467401 535464779 /nfs/dbraw/zinc/46/47/79/535464779.db2.gz FNEJDNYLUKIRLR-UHFFFAOYSA-N 0 1 416.959 5.332 50 0 HKAAMN CCCc1n[nH]c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1 ZINC000011467401 535464783 /nfs/dbraw/zinc/46/47/83/535464783.db2.gz FNEJDNYLUKIRLR-UHFFFAOYSA-N 0 1 416.959 5.332 50 0 HKAAMN CCc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2c1 ZINC000011612415 559113770 /nfs/dbraw/zinc/11/37/70/559113770.db2.gz AHLIQNVNDPZZRJ-UHFFFAOYSA-N 0 1 403.551 5.220 50 0 HKAAMN Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4cnn(C(C)C)c4)CC3)cc2)c1 ZINC000011662262 558265885 /nfs/dbraw/zinc/26/58/85/558265885.db2.gz FNXJVQBMDKXLSB-UHFFFAOYSA-N 0 1 416.569 5.290 50 0 HKAAMN CCCCc1nc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c[nH]1 ZINC000011663530 558267329 /nfs/dbraw/zinc/26/73/29/558267329.db2.gz RWNDDFRTUAGBNA-UHFFFAOYSA-N 0 1 402.970 5.037 50 0 HKAAMN COc1cccc(OC[C@H]2CCCN(Cc3nc(-c4cccc(F)c4)oc3C)C2)c1 ZINC000011707624 558270930 /nfs/dbraw/zinc/27/09/30/558270930.db2.gz LCYXAZKLEPJFOR-SFHVURJKSA-N 0 1 410.489 5.089 50 0 HKAAMN COc1cccc(OC[C@@H]2CCCN(Cc3nc(-c4cccc(F)c4)oc3C)C2)c1 ZINC000011707638 558270805 /nfs/dbraw/zinc/27/08/05/558270805.db2.gz LCYXAZKLEPJFOR-GOSISDBHSA-N 0 1 410.489 5.089 50 0 HKAAMN Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000011711904 558271502 /nfs/dbraw/zinc/27/15/02/558271502.db2.gz AAWCTCZUFUOVFF-HNNXBMFYSA-N 0 1 421.495 5.112 50 0 HKAAMN Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000011711912 558271386 /nfs/dbraw/zinc/27/13/86/558271386.db2.gz AAWCTCZUFUOVFF-OAHLLOKOSA-N 0 1 421.495 5.112 50 0 HKAAMN COc1ccccc1-c1nc(CN2CCC(Sc3ccccc3C)CC2)c(C)o1 ZINC000011718788 558272074 /nfs/dbraw/zinc/27/20/74/558272074.db2.gz DQBGOXZJPYOQFG-UHFFFAOYSA-N 0 1 408.567 5.724 50 0 HKAAMN O=C(c1ccccc1OC1CCN(Cc2ccccc2Cl)CC1)N1CCCCC1 ZINC000011759430 558273098 /nfs/dbraw/zinc/27/30/98/558273098.db2.gz COZAYDWQYHOFMZ-UHFFFAOYSA-N 0 1 412.961 5.010 50 0 HKAAMN CC(C)Cn1c2cc(F)ccc2cc(CNC(c2ccccc2)c2ccccc2)c1=O ZINC000011787880 558276694 /nfs/dbraw/zinc/27/66/94/558276694.db2.gz XPBUODQQUKUASN-UHFFFAOYSA-N 0 1 414.524 5.676 50 0 HKAAMN Cc1nn(C)c(C)c1CN(Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000011817722 558280943 /nfs/dbraw/zinc/28/09/43/558280943.db2.gz LWRDBUKQXYVBDA-UHFFFAOYSA-N 0 1 411.553 5.259 50 0 HKAAMN Cc1c([C@@H](C)NCc2c[nH]nc2-c2ccc(Cl)cc2)cnn1-c1cccc(F)c1 ZINC000011819698 558283103 /nfs/dbraw/zinc/28/31/03/558283103.db2.gz OGTMJULSRKGKGA-CQSZACIVSA-N 0 1 409.896 5.214 50 0 HKAAMN Cc1c([C@H](C)NCc2c[nH]nc2-c2ccc(Cl)cc2)cnn1-c1cccc(F)c1 ZINC000011819699 558283110 /nfs/dbraw/zinc/28/31/10/558283110.db2.gz OGTMJULSRKGKGA-AWEZNQCLSA-N 0 1 409.896 5.214 50 0 HKAAMN CC(C)c1csc(CN2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)n1 ZINC000011841304 558286936 /nfs/dbraw/zinc/28/69/36/558286936.db2.gz HBOMXSOBYPCCJF-UHFFFAOYSA-N 0 1 420.022 5.229 50 0 HKAAMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000011873394 558291138 /nfs/dbraw/zinc/29/11/38/558291138.db2.gz UENUVFGZWNCBSR-SFHVURJKSA-N 0 1 407.480 5.195 50 0 HKAAMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000011873395 558291153 /nfs/dbraw/zinc/29/11/53/558291153.db2.gz UENUVFGZWNCBSR-GOSISDBHSA-N 0 1 407.480 5.195 50 0 HKAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000011905404 558296139 /nfs/dbraw/zinc/29/61/39/558296139.db2.gz DZZIDJBXEYSMCT-JOCHJYFZSA-N 0 1 423.944 5.342 50 0 HKAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000011905406 558296055 /nfs/dbraw/zinc/29/60/55/558296055.db2.gz DZZIDJBXEYSMCT-QFIPXVFZSA-N 0 1 423.944 5.342 50 0 HKAAMN COc1ccc([C@@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCCCCC2)cc1 ZINC000011915580 559267790 /nfs/dbraw/zinc/26/77/90/559267790.db2.gz BJVAAFNQSAQLRF-HSZRJFAPSA-N 0 1 420.553 5.405 50 0 HKAAMN COc1ccc([C@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCCCCC2)cc1 ZINC000011915582 559267771 /nfs/dbraw/zinc/26/77/71/559267771.db2.gz BJVAAFNQSAQLRF-QHCPKHFHSA-N 0 1 420.553 5.405 50 0 HKAAMN O=C(Nc1c2ccccc2oc1C(=O)c1ccccc1)c1cc(-c2ccccc2)on1 ZINC000011915836 559267904 /nfs/dbraw/zinc/26/79/04/559267904.db2.gz OQHXDZKUFXFINB-UHFFFAOYSA-N 0 1 408.413 5.571 50 0 HKAAMN CCn1cc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c(C)n1 ZINC000011932963 558297893 /nfs/dbraw/zinc/29/78/93/558297893.db2.gz AAHREYIIXMLPHO-UHFFFAOYSA-N 0 1 416.569 5.038 50 0 HKAAMN O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000011933133 558297875 /nfs/dbraw/zinc/29/78/75/558297875.db2.gz ABNMZNNIXXMZGZ-UHFFFAOYSA-N 0 1 421.928 5.378 50 0 HKAAMN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCN(Cc2ccccn2)CC1 ZINC000011937489 558301069 /nfs/dbraw/zinc/30/10/69/558301069.db2.gz WQQUZWYULHQVRF-UHFFFAOYSA-N 0 1 410.521 5.081 50 0 HKAAMN COc1ccc(-n2cc(CNCc3cccc(C)n3)c(-c3ccccc3Cl)n2)cc1 ZINC000011938157 558301541 /nfs/dbraw/zinc/30/15/41/558301541.db2.gz XZTPMIQBGQCKLR-UHFFFAOYSA-N 0 1 418.928 5.195 50 0 HKAAMN CC(C)c1csc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)n1 ZINC000011948381 559268790 /nfs/dbraw/zinc/26/87/90/559268790.db2.gz VGBIFKBQILOEOS-UHFFFAOYSA-N 0 1 405.995 5.551 50 0 HKAAMN O=C(CC[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1)Nc1ccccc1F ZINC000011953674 558303277 /nfs/dbraw/zinc/30/32/77/558303277.db2.gz REEZGRCYMGNAPZ-INIZCTEOSA-N 0 1 408.439 5.475 50 0 HKAAMN O=C(CC[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1)Nc1ccccc1F ZINC000011953682 558303255 /nfs/dbraw/zinc/30/32/55/558303255.db2.gz REEZGRCYMGNAPZ-MRXNPFEDSA-N 0 1 408.439 5.475 50 0 HKAAMN CCn1nc(C)c(CNCc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)c1C ZINC000011958678 558303783 /nfs/dbraw/zinc/30/37/83/558303783.db2.gz LWTFARVDRMWFTN-UHFFFAOYSA-N 0 1 413.569 5.279 50 0 HKAAMN O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000011980444 558306117 /nfs/dbraw/zinc/30/61/17/558306117.db2.gz WFVBRGZIYXNXMR-OAQYLSRUSA-N 0 1 420.519 5.314 50 0 HKAAMN O=C(NCCC1=CCCCC1)[C@@H]1CC12CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000011980449 558306163 /nfs/dbraw/zinc/30/61/63/558306163.db2.gz WFVBRGZIYXNXMR-NRFANRHFSA-N 0 1 420.519 5.314 50 0 HKAAMN COc1cccc(-c2nc(CN(C)C[C@@]3(c4ccccc4)CC3(C)C)c(C)o2)c1OC ZINC000011998805 558307651 /nfs/dbraw/zinc/30/76/51/558307651.db2.gz HQBBSIBPHRUIKH-AREMUKBSSA-N 0 1 420.553 5.467 50 0 HKAAMN COc1cccc(-c2nc(CN(C)C[C@]3(c4ccccc4)CC3(C)C)c(C)o2)c1OC ZINC000011998808 558307714 /nfs/dbraw/zinc/30/77/14/558307714.db2.gz HQBBSIBPHRUIKH-SANMLTNESA-N 0 1 420.553 5.467 50 0 HKAAMN CCOc1cc(CN[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)ccc1OC ZINC000012025472 558310007 /nfs/dbraw/zinc/31/00/07/558310007.db2.gz NIYSBEXFQZOVLJ-JOCHJYFZSA-N 0 1 405.542 5.064 50 0 HKAAMN CCOc1cc(CN[C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)ccc1OC ZINC000012025475 558309951 /nfs/dbraw/zinc/30/99/51/558309951.db2.gz NIYSBEXFQZOVLJ-QFIPXVFZSA-N 0 1 405.542 5.064 50 0 HKAAMN CC(=O)NCC[C@@H]1CCCCN1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000012050915 558314068 /nfs/dbraw/zinc/31/40/68/558314068.db2.gz GLBFPGIAYRBDLM-DEOSSOPVSA-N 0 1 417.553 5.198 50 0 HKAAMN CC(=O)NCC[C@H]1CCCCN1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000012050919 558314106 /nfs/dbraw/zinc/31/41/06/558314106.db2.gz GLBFPGIAYRBDLM-XMMPIXPASA-N 0 1 417.553 5.198 50 0 HKAAMN COc1ccc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c(F)c1 ZINC000012073380 558318426 /nfs/dbraw/zinc/31/84/26/558318426.db2.gz PWPSPQBRRHUCGT-UHFFFAOYSA-N 0 1 404.913 5.119 50 0 HKAAMN COc1cccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)c1OC ZINC000012073806 558318710 /nfs/dbraw/zinc/31/87/10/558318710.db2.gz XQHUDXPOXVLTQF-OAQYLSRUSA-N 0 1 405.542 5.001 50 0 HKAAMN COc1cccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)c1OC ZINC000012073808 558318627 /nfs/dbraw/zinc/31/86/27/558318627.db2.gz XQHUDXPOXVLTQF-NRFANRHFSA-N 0 1 405.542 5.001 50 0 HKAAMN Cc1c([C@@H](C)NCc2cnn(-c3ccc(Cl)cc3)c2)cnn1-c1cccc(F)c1 ZINC000012074229 558318862 /nfs/dbraw/zinc/31/88/62/558318862.db2.gz CPCSKGAUPDMUJV-OAHLLOKOSA-N 0 1 409.896 5.010 50 0 HKAAMN Cc1c([C@H](C)NCc2cnn(-c3ccc(Cl)cc3)c2)cnn1-c1cccc(F)c1 ZINC000012074231 558318888 /nfs/dbraw/zinc/31/88/88/558318888.db2.gz CPCSKGAUPDMUJV-HNNXBMFYSA-N 0 1 409.896 5.010 50 0 HKAAMN CCc1ccc(CNCc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)nc1 ZINC000012075263 558319482 /nfs/dbraw/zinc/31/94/82/558319482.db2.gz KVXNSMJIQAAJFL-UHFFFAOYSA-N 0 1 418.491 5.373 50 0 HKAAMN COc1ccc(-c2nc(CN(Cc3ccccc3)CC3CC3)c(C)o2)c(OC)c1C ZINC000012076003 558319663 /nfs/dbraw/zinc/31/96/63/558319663.db2.gz HFKVQXUGSVPOEV-UHFFFAOYSA-N 0 1 406.526 5.388 50 0 HKAAMN O=C(c1ccc(Cl)cc1OC1CCN(Cc2ccsc2)CC1)N1CCCCC1 ZINC000012076201 558319846 /nfs/dbraw/zinc/31/98/46/558319846.db2.gz XBJJPSVFIRVLRK-UHFFFAOYSA-N 0 1 418.990 5.071 50 0 HKAAMN COc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCCN(C(C)C)C2 ZINC000012099102 558325614 /nfs/dbraw/zinc/32/56/14/558325614.db2.gz XVTHIBKUYFDVKU-UHFFFAOYSA-N 0 1 400.828 5.032 50 0 HKAAMN Cc1cc(C(=O)CSc2nc(C3CCCC3)n[nH]2)c(C)n1CCc1cccs1 ZINC000012104124 560889293 /nfs/dbraw/zinc/88/92/93/560889293.db2.gz PLLOPIBJUSUKFF-UHFFFAOYSA-N 0 1 414.600 5.160 50 0 HKAAMN Cc1cc(C(=O)CSc2n[nH]c(C3CCCC3)n2)c(C)n1CCc1cccs1 ZINC000012104124 560889294 /nfs/dbraw/zinc/88/92/94/560889294.db2.gz PLLOPIBJUSUKFF-UHFFFAOYSA-N 0 1 414.600 5.160 50 0 HKAAMN COc1ccc(-c2nc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)o2)c(F)c1 ZINC000012195031 558349162 /nfs/dbraw/zinc/34/91/62/558349162.db2.gz XJHGZJDXTORAQC-UHFFFAOYSA-N 0 1 404.485 5.358 50 0 HKAAMN Cc1oc(-c2cccs2)nc1CN1CCC(CCC(=O)Nc2cccc(C)c2)CC1 ZINC000012200047 558351095 /nfs/dbraw/zinc/35/10/95/558351095.db2.gz UAQRMVIRWTYEGP-UHFFFAOYSA-N 0 1 423.582 5.651 50 0 HKAAMN Clc1ccc(-c2ccc(CN[C@@H]3CCCc4c3cnn4-c3ccccn3)o2)cc1 ZINC000012202211 558351829 /nfs/dbraw/zinc/35/18/29/558351829.db2.gz KHGMKINDJVTOTE-HXUWFJFHSA-N 0 1 404.901 5.348 50 0 HKAAMN Clc1ccc(-c2ccc(CN[C@H]3CCCc4c3cnn4-c3ccccn3)o2)cc1 ZINC000012202218 558351773 /nfs/dbraw/zinc/35/17/73/558351773.db2.gz KHGMKINDJVTOTE-FQEVSTJZSA-N 0 1 404.901 5.348 50 0 HKAAMN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2cccnc2)CC1 ZINC000012203871 558351991 /nfs/dbraw/zinc/35/19/91/558351991.db2.gz IBLOTLDTOFEIOF-UHFFFAOYSA-N 0 1 405.929 5.253 50 0 HKAAMN CCOc1cc(CN[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)ccc1OC ZINC000012204989 558352433 /nfs/dbraw/zinc/35/24/33/558352433.db2.gz VXTUMMFUJQURFW-OAQYLSRUSA-N 0 1 405.542 5.064 50 0 HKAAMN CCOc1cc(CN[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)ccc1OC ZINC000012204993 558352584 /nfs/dbraw/zinc/35/25/84/558352584.db2.gz VXTUMMFUJQURFW-NRFANRHFSA-N 0 1 405.542 5.064 50 0 HKAAMN Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000012207781 560891897 /nfs/dbraw/zinc/89/18/97/560891897.db2.gz HUFYFKFRFSNPHP-UHFFFAOYSA-N 0 1 423.948 5.326 50 0 HKAAMN CSc1ccc2cc(CN[C@@H]3CCOC3)c(OCc3ccccc3Cl)nc2c1 ZINC000012217508 558354288 /nfs/dbraw/zinc/35/42/88/558354288.db2.gz LBUMBEZGIIYPBD-GOSISDBHSA-N 0 1 414.958 5.068 50 0 HKAAMN CSc1ccc2cc(CN[C@H]3CCOC3)c(OCc3ccccc3Cl)nc2c1 ZINC000012217509 558354304 /nfs/dbraw/zinc/35/43/04/558354304.db2.gz LBUMBEZGIIYPBD-SFHVURJKSA-N 0 1 414.958 5.068 50 0 HKAAMN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cc(C(C)C)[nH]n1 ZINC000012299038 558369069 /nfs/dbraw/zinc/36/90/69/558369069.db2.gz GWYKBZUMBXIKER-VWLOTQADSA-N 0 1 400.526 5.171 50 0 HKAAMN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cc(C(C)C)[nH]n1 ZINC000012299039 558369212 /nfs/dbraw/zinc/36/92/12/558369212.db2.gz GWYKBZUMBXIKER-RUZDIDTESA-N 0 1 400.526 5.171 50 0 HKAAMN C[C@@H](NCc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)c1cnn(-c2ccccc2)c1 ZINC000012299321 558369204 /nfs/dbraw/zinc/36/92/04/558369204.db2.gz VUJMMHAXKIRLOG-HXUWFJFHSA-N 0 1 419.532 5.780 50 0 HKAAMN C[C@H](NCc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)c1cnn(-c2ccccc2)c1 ZINC000012299322 558369161 /nfs/dbraw/zinc/36/91/61/558369161.db2.gz VUJMMHAXKIRLOG-FQEVSTJZSA-N 0 1 419.532 5.780 50 0 HKAAMN O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000012302082 558371747 /nfs/dbraw/zinc/37/17/47/558371747.db2.gz LLIRLWQHYZEYMA-GOSISDBHSA-N 0 1 421.566 5.133 50 0 HKAAMN O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000012302083 558371884 /nfs/dbraw/zinc/37/18/84/558371884.db2.gz LLIRLWQHYZEYMA-SFHVURJKSA-N 0 1 421.566 5.133 50 0 HKAAMN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2CCCC(F)(F)F)cc1 ZINC000012314248 558377863 /nfs/dbraw/zinc/37/78/63/558377863.db2.gz NDENYMAWDOWQKZ-FQEVSTJZSA-N 0 1 406.448 5.108 50 0 HKAAMN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2CCCC(F)(F)F)cc1 ZINC000012314249 558377741 /nfs/dbraw/zinc/37/77/41/558377741.db2.gz NDENYMAWDOWQKZ-HXUWFJFHSA-N 0 1 406.448 5.108 50 0 HKAAMN CCn1c(CN2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)nc2ccccc21 ZINC000012315586 558378901 /nfs/dbraw/zinc/37/89/01/558378901.db2.gz FPIXIFDMVAIYBY-IBGZPJMESA-N 0 1 422.548 5.135 50 0 HKAAMN CCn1c(CN2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)nc2ccccc21 ZINC000012315587 558378827 /nfs/dbraw/zinc/37/88/27/558378827.db2.gz FPIXIFDMVAIYBY-LJQANCHMSA-N 0 1 422.548 5.135 50 0 HKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000012315741 558379109 /nfs/dbraw/zinc/37/91/09/558379109.db2.gz TVHJGZGKNQDXNP-HXUWFJFHSA-N 0 1 410.880 5.656 50 0 HKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000012315742 558379172 /nfs/dbraw/zinc/37/91/72/558379172.db2.gz TVHJGZGKNQDXNP-FQEVSTJZSA-N 0 1 410.880 5.656 50 0 HKAAMN CN(Cc1cc(C2CC2)[nH]n1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000012316616 558379825 /nfs/dbraw/zinc/37/98/25/558379825.db2.gz VWFSHBXFERDJSN-UHFFFAOYSA-N 0 1 413.525 5.112 50 0 HKAAMN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000012317742 558381075 /nfs/dbraw/zinc/38/10/75/558381075.db2.gz ZNCLVLYUQDETTJ-QGZVFWFLSA-N 0 1 409.530 5.033 50 0 HKAAMN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000012317743 558381141 /nfs/dbraw/zinc/38/11/41/558381141.db2.gz ZNCLVLYUQDETTJ-KRWDZBQOSA-N 0 1 409.530 5.033 50 0 HKAAMN Brc1ccc(-c2ccc(CNCc3cccnc3)o2)c(Br)c1 ZINC000012324637 558382987 /nfs/dbraw/zinc/38/29/87/558382987.db2.gz OXFDXIZJYDZQII-UHFFFAOYSA-N 0 1 422.120 5.156 50 0 HKAAMN Cc1ccc(-n2[nH]c(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2=O)cc1 ZINC000012345980 568494253 /nfs/dbraw/zinc/49/42/53/568494253.db2.gz RKYVCCOKOZTLOY-UHFFFAOYSA-N 0 1 403.869 5.459 50 0 HKAAMN Clc1ccc(COc2ccccc2CNCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000012375526 558391811 /nfs/dbraw/zinc/39/18/11/558391811.db2.gz OMHZVGXZNVTFQL-UHFFFAOYSA-N 0 1 416.304 5.591 50 0 HKAAMN O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1cc(F)cc(F)c1 ZINC000012375700 558391859 /nfs/dbraw/zinc/39/18/59/558391859.db2.gz NNMORLXNWKKDOW-UHFFFAOYSA-N 0 1 402.447 5.042 50 0 HKAAMN Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000012385656 558394501 /nfs/dbraw/zinc/39/45/01/558394501.db2.gz LAHAYAHUVYCZGW-KRWDZBQOSA-N 0 1 415.578 5.100 50 0 HKAAMN Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000012385657 558394555 /nfs/dbraw/zinc/39/45/55/558394555.db2.gz LAHAYAHUVYCZGW-QGZVFWFLSA-N 0 1 415.578 5.100 50 0 HKAAMN Cc1cc(C)n(-c2ccc(F)cc2CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)n1 ZINC000012386654 558395352 /nfs/dbraw/zinc/39/53/52/558395352.db2.gz VALJGBKVJNNNIE-QGZVFWFLSA-N 0 1 421.495 5.112 50 0 HKAAMN Cc1cc(C)n(-c2ccc(F)cc2CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)n1 ZINC000012386655 558395555 /nfs/dbraw/zinc/39/55/55/558395555.db2.gz VALJGBKVJNNNIE-KRWDZBQOSA-N 0 1 421.495 5.112 50 0 HKAAMN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(C(=O)N2CCCCC2)CC1 ZINC000012387177 558396096 /nfs/dbraw/zinc/39/60/96/558396096.db2.gz XOLZPWPNLAYPDA-UHFFFAOYSA-N 0 1 417.553 5.028 50 0 HKAAMN C[C@]12CC3CC(CC(=O)Nc4ccc5nc(C(F)(F)F)[nH]c5c4)(C1)C[C@@](C)(C3)C2 ZINC000012402578 558397585 /nfs/dbraw/zinc/39/75/85/558397585.db2.gz DYFRVEYNBAYUKF-SWOGZVPRSA-N 0 1 405.464 5.907 50 0 HKAAMN CN1CCN(c2cc(O)c(Sc3nc4ccccc4s3)c3ccccc32)CC1 ZINC000012416760 132359672 /nfs/dbraw/zinc/35/96/72/132359672.db2.gz RXGPRPINTNMQKU-UHFFFAOYSA-N 0 1 407.564 5.058 50 0 HKAAMN CCOc1ccc(-c2nc(CN3CCC(OCc4ccccc4)CC3)c(C)o2)cc1 ZINC000012433046 558406930 /nfs/dbraw/zinc/40/69/30/558406930.db2.gz YNAXDXFGYSAUPG-UHFFFAOYSA-N 0 1 406.526 5.230 50 0 HKAAMN COc1ccc(-c2nc(CN3CCC(c4ccncc4)CC3)c(C)o2)c2ccccc12 ZINC000012434477 558408367 /nfs/dbraw/zinc/40/83/67/558408367.db2.gz RIFFFWLZPMIFPT-UHFFFAOYSA-N 0 1 413.521 5.586 50 0 HKAAMN Cn1cc(CN2CCC[C@@H]2c2ccccn2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012434523 558408410 /nfs/dbraw/zinc/40/84/10/558408410.db2.gz KTZPAYLQYSLLTI-RUZDIDTESA-N 0 1 410.521 5.612 50 0 HKAAMN Cn1cc(CN2CCC[C@H]2c2ccccn2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012434524 558408386 /nfs/dbraw/zinc/40/83/86/558408386.db2.gz KTZPAYLQYSLLTI-VWLOTQADSA-N 0 1 410.521 5.612 50 0 HKAAMN FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@@H]3CCc3ccccn3)n2)cc1 ZINC000012434957 558408645 /nfs/dbraw/zinc/40/86/45/558408645.db2.gz NAZQVEXJKDVNNF-LJQANCHMSA-N 0 1 416.447 5.138 50 0 HKAAMN FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@H]3CCc3ccccn3)n2)cc1 ZINC000012434958 558408778 /nfs/dbraw/zinc/40/87/78/558408778.db2.gz NAZQVEXJKDVNNF-IBGZPJMESA-N 0 1 416.447 5.138 50 0 HKAAMN COc1ccc(OC)c(-c2nc(CN3CCC(Cc4ccccc4)CC3)c(C)o2)c1 ZINC000012439980 558411492 /nfs/dbraw/zinc/41/14/92/558411492.db2.gz ADOOGIDOIKTTJA-UHFFFAOYSA-N 0 1 406.526 5.122 50 0 HKAAMN Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(Cc2ccccc2OC(F)F)C1 ZINC000012440942 558411711 /nfs/dbraw/zinc/41/17/11/558411711.db2.gz VDYYVQFVIMVOFX-KRWDZBQOSA-N 0 1 420.475 5.366 50 0 HKAAMN Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(Cc2ccccc2OC(F)F)C1 ZINC000012440944 558412003 /nfs/dbraw/zinc/41/20/03/558412003.db2.gz VDYYVQFVIMVOFX-QGZVFWFLSA-N 0 1 420.475 5.366 50 0 HKAAMN CSc1ccc(-c2nc(CN3CCC[C@@H]3c3nc4ccc(F)cc4[nH]3)c(C)o2)cc1 ZINC000012444628 558413193 /nfs/dbraw/zinc/41/31/93/558413193.db2.gz GMYKFRKPFAPJMS-OAQYLSRUSA-N 0 1 422.529 5.724 50 0 HKAAMN CSc1ccc(-c2nc(CN3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)c(C)o2)cc1 ZINC000012444632 558413510 /nfs/dbraw/zinc/41/35/10/558413510.db2.gz GMYKFRKPFAPJMS-NRFANRHFSA-N 0 1 422.529 5.724 50 0 HKAAMN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCN(Cc2cccnc2)CC1 ZINC000012449312 558663565 /nfs/dbraw/zinc/66/35/65/558663565.db2.gz OLCOWQSHMXAZTI-UHFFFAOYSA-N 0 1 410.521 5.081 50 0 HKAAMN Cc1nn(C(C)C)c(C)c1CN[C@@H](C)c1cnn(-c2cccc3ccccc32)c1C ZINC000012456064 558417311 /nfs/dbraw/zinc/41/73/11/558417311.db2.gz PKXSILJRENCOTL-KRWDZBQOSA-N 0 1 401.558 5.579 50 0 HKAAMN Cc1nn(C(C)C)c(C)c1CN[C@H](C)c1cnn(-c2cccc3ccccc32)c1C ZINC000012456066 558417320 /nfs/dbraw/zinc/41/73/20/558417320.db2.gz PKXSILJRENCOTL-QGZVFWFLSA-N 0 1 401.558 5.579 50 0 HKAAMN Cc1c2cccc(C)c2[nH]c1CN1CCC(O)(Cc2cc(-c3ccccc3)no2)CC1 ZINC000012456446 558417448 /nfs/dbraw/zinc/41/74/48/558417448.db2.gz YTBAHOFGYWRIMR-UHFFFAOYSA-N 0 1 415.537 5.009 50 0 HKAAMN COc1cccc(-c2nn(-c3ccccc3)cc2CNCc2cccc(F)c2F)c1 ZINC000012465945 558420522 /nfs/dbraw/zinc/42/05/22/558420522.db2.gz PDVYZTNPGVDOLB-UHFFFAOYSA-N 0 1 405.448 5.116 50 0 HKAAMN CCN1CCN(c2ccccc2NC(=O)c2sc3cccc(C)c3c2Cl)CC1 ZINC000012527908 132361887 /nfs/dbraw/zinc/36/18/87/132361887.db2.gz APWGZNKERUPQDO-UHFFFAOYSA-N 0 1 413.974 5.257 50 0 HKAAMN O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cccs1 ZINC000012540120 568847284 /nfs/dbraw/zinc/84/72/84/568847284.db2.gz LPAYBSADVKDPND-KRWDZBQOSA-N 0 1 401.413 5.163 50 0 HKAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cccs1 ZINC000012540122 568847252 /nfs/dbraw/zinc/84/72/52/568847252.db2.gz LPAYBSADVKDPND-QGZVFWFLSA-N 0 1 401.413 5.163 50 0 HKAAMN CCOc1ccc2nc(SCC(=O)Nc3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000012540149 568847299 /nfs/dbraw/zinc/84/72/99/568847299.db2.gz NCLGMLWAPLIYIL-UHFFFAOYSA-N 0 1 419.506 5.485 50 0 HKAAMN CCc1sc(-c2nnc(CSc3nc(Cc4ccccc4)c(C)[nH]3)o2)cc1C ZINC000012547411 568851533 /nfs/dbraw/zinc/85/15/33/568851533.db2.gz SXYYBHGFTMJYOJ-UHFFFAOYSA-N 0 1 410.568 5.584 50 0 HKAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)N(Cc1ccco1)Cc1ccccc1 ZINC000012548165 568851292 /nfs/dbraw/zinc/85/12/92/568851292.db2.gz AJFKTHUUTANMJR-UHFFFAOYSA-N 0 1 411.914 5.130 50 0 HKAAMN Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(Br)c1 ZINC000012551070 568853140 /nfs/dbraw/zinc/85/31/40/568853140.db2.gz NAOJOEYMUVGWDV-UHFFFAOYSA-N 0 1 410.724 5.018 50 0 HKAAMN Cc1ccc(NC(=O)Cc2nc(CSc3nc4ccc(C)cc4[nH]3)cs2)cc1 ZINC000012551510 568853623 /nfs/dbraw/zinc/85/36/23/568853623.db2.gz QHDXRMCOWGRJCT-UHFFFAOYSA-N 0 1 408.552 5.110 50 0 HKAAMN c1cn2c(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)c(-c3ccccc3)nc2s1 ZINC000012551838 568853802 /nfs/dbraw/zinc/85/38/02/568853802.db2.gz IAIXWMINOGVFIM-IBGZPJMESA-N 0 1 417.534 5.171 50 0 HKAAMN c1cn2c(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)c(-c3ccccc3)nc2s1 ZINC000012551841 568853856 /nfs/dbraw/zinc/85/38/56/568853856.db2.gz IAIXWMINOGVFIM-LJQANCHMSA-N 0 1 417.534 5.171 50 0 HKAAMN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccccc3C(F)(F)F)ccc21 ZINC000012565843 568860181 /nfs/dbraw/zinc/86/01/81/568860181.db2.gz ACYHRKRMCPVMPW-UHFFFAOYSA-N 0 1 418.440 5.634 50 0 HKAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccco3)C3=CCCCC3)n2)cc1 ZINC000012567224 568860449 /nfs/dbraw/zinc/86/04/49/568860449.db2.gz BHQHJEDWOFDQTN-UHFFFAOYSA-N 0 1 422.554 5.206 50 0 HKAAMN C[C@@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1cccs1 ZINC000012567855 568860499 /nfs/dbraw/zinc/86/04/99/568860499.db2.gz KMYNRXLQTWHNLR-RDTXWAMCSA-N 0 1 413.930 5.023 50 0 HKAAMN C[C@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1cccs1 ZINC000012567856 568860591 /nfs/dbraw/zinc/86/05/91/568860591.db2.gz KMYNRXLQTWHNLR-KBXCAEBGSA-N 0 1 413.930 5.023 50 0 HKAAMN C[C@@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1cccs1 ZINC000012567857 568860544 /nfs/dbraw/zinc/86/05/44/568860544.db2.gz KMYNRXLQTWHNLR-KDOFPFPSSA-N 0 1 413.930 5.023 50 0 HKAAMN C[C@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1cccs1 ZINC000012567858 568860540 /nfs/dbraw/zinc/86/05/40/568860540.db2.gz KMYNRXLQTWHNLR-KSSFIOAISA-N 0 1 413.930 5.023 50 0 HKAAMN CCc1ccc([C@@H](NCC(=O)Nc2ccc(N3CCCC3)cc2)c2cccs2)cc1 ZINC000012568176 568860915 /nfs/dbraw/zinc/86/09/15/568860915.db2.gz SWWZJBLJSOEHTK-RUZDIDTESA-N 0 1 419.594 5.228 50 0 HKAAMN CCc1ccc([C@H](NCC(=O)Nc2ccc(N3CCCC3)cc2)c2cccs2)cc1 ZINC000012568177 568860884 /nfs/dbraw/zinc/86/08/84/568860884.db2.gz SWWZJBLJSOEHTK-VWLOTQADSA-N 0 1 419.594 5.228 50 0 HKAAMN Cc1c([C@@H](C)NCc2cnn(-c3ccccc3Cl)c2)cnn1-c1cccc(F)c1 ZINC000012570424 558428756 /nfs/dbraw/zinc/42/87/56/558428756.db2.gz YUDGBDUEYAYLRR-OAHLLOKOSA-N 0 1 409.896 5.010 50 0 HKAAMN Cc1c([C@H](C)NCc2cnn(-c3ccccc3Cl)c2)cnn1-c1cccc(F)c1 ZINC000012570430 558428731 /nfs/dbraw/zinc/42/87/31/558428731.db2.gz YUDGBDUEYAYLRR-HNNXBMFYSA-N 0 1 409.896 5.010 50 0 HKAAMN O=C(CCC1CCN(Cc2ccccc2OC(F)F)CC1)Nc1ccccc1Cl ZINC000012573621 558430054 /nfs/dbraw/zinc/43/00/54/558430054.db2.gz OGPUFLFSYGMXGK-UHFFFAOYSA-N 0 1 422.903 5.572 50 0 HKAAMN Clc1ccc(-c2n[nH]c(-c3ccccc3)c2Cc2nc3ccccc3s2)cc1 ZINC000012576337 568862601 /nfs/dbraw/zinc/86/26/01/568862601.db2.gz WKBQOGASSCGPHI-UHFFFAOYSA-N 0 1 401.922 6.598 50 0 HKAAMN COc1ccc(-c2nn(-c3ccccc3C)cc2CNCc2ccc(C)o2)cc1F ZINC000012578081 558431861 /nfs/dbraw/zinc/43/18/61/558431861.db2.gz LDDDDJDGIVEPQN-UHFFFAOYSA-N 0 1 405.473 5.187 50 0 HKAAMN CCn1nc(C)c(CN[C@@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)c1C ZINC000012582939 558433124 /nfs/dbraw/zinc/43/31/24/558433124.db2.gz UWFAXOXHUMEJSO-HSZRJFAPSA-N 0 1 405.590 5.170 50 0 HKAAMN CCn1nc(C)c(CN[C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)c1C ZINC000012582946 558433135 /nfs/dbraw/zinc/43/31/35/558433135.db2.gz UWFAXOXHUMEJSO-QHCPKHFHSA-N 0 1 405.590 5.170 50 0 HKAAMN Cc1cc(C(=O)CSc2nc3ccc(C)cc3[nH]2)c(C)n1CCc1ccc(F)cc1 ZINC000012587647 568867746 /nfs/dbraw/zinc/86/77/46/568867746.db2.gz MUXPGAQXDJVOET-UHFFFAOYSA-N 0 1 421.541 5.646 50 0 HKAAMN Cc1c([C@@H](C)NCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)cnn1C ZINC000012587767 558434599 /nfs/dbraw/zinc/43/45/99/558434599.db2.gz VDFOAHMHSQVYGI-OAHLLOKOSA-N 0 1 423.923 5.225 50 0 HKAAMN Cc1c([C@H](C)NCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)cnn1C ZINC000012587773 558434693 /nfs/dbraw/zinc/43/46/93/558434693.db2.gz VDFOAHMHSQVYGI-HNNXBMFYSA-N 0 1 423.923 5.225 50 0 HKAAMN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000012590410 558435488 /nfs/dbraw/zinc/43/54/88/558435488.db2.gz XNGUSYTXBFERCT-UHFFFAOYSA-N 0 1 418.512 5.352 50 0 HKAAMN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccsc3)ccc2Cl)c(C)c1 ZINC000012605833 568871137 /nfs/dbraw/zinc/87/11/37/568871137.db2.gz HPHVBFMKHDWLBU-UHFFFAOYSA-N 0 1 420.943 5.071 50 0 HKAAMN Cc1c(Cl)cccc1NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000012608583 568871463 /nfs/dbraw/zinc/87/14/63/568871463.db2.gz FMNYNLMXMLRIOS-UHFFFAOYSA-N 0 1 415.946 5.220 50 0 HKAAMN Cc1ccc2nc(S[C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)[nH]c2c1 ZINC000012614791 568872080 /nfs/dbraw/zinc/87/20/80/568872080.db2.gz QYQJKJITSGCLAJ-QFIPXVFZSA-N 0 1 401.535 5.960 50 0 aggregator HKAAMN Cc1ccc2nc(S[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)[nH]c2c1 ZINC000012614796 568872020 /nfs/dbraw/zinc/87/20/20/568872020.db2.gz QYQJKJITSGCLAJ-JOCHJYFZSA-N 0 1 401.535 5.960 50 0 aggregator HKAAMN C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617713 568872138 /nfs/dbraw/zinc/87/21/38/568872138.db2.gz GMZGSFXWGBIZMI-GDBMZVCRSA-N 0 1 408.502 5.426 50 0 HKAAMN C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617717 568872177 /nfs/dbraw/zinc/87/21/77/568872177.db2.gz GMZGSFXWGBIZMI-GOEBONIOSA-N 0 1 408.502 5.426 50 0 HKAAMN CCCc1ccc(-c2csc(NC(=O)CSc3nc4ccc(C)cc4[nH]3)n2)cc1 ZINC000012620637 568877333 /nfs/dbraw/zinc/87/73/33/568877333.db2.gz SGWBBLUDLFDLJJ-UHFFFAOYSA-N 0 1 422.579 5.678 50 0 HKAAMN C[C@@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000012621842 568877467 /nfs/dbraw/zinc/87/74/67/568877467.db2.gz RZKJRUODHHVINP-OAHLLOKOSA-N 0 1 420.563 5.170 50 0 HKAAMN C[C@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000012621844 568877392 /nfs/dbraw/zinc/87/73/92/568877392.db2.gz RZKJRUODHHVINP-HNNXBMFYSA-N 0 1 420.563 5.170 50 0 HKAAMN Cc1ccc(Cl)cc1NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000012635776 568883854 /nfs/dbraw/zinc/88/38/54/568883854.db2.gz WBCBVAQLIVHUCN-UHFFFAOYSA-N 0 1 415.946 5.220 50 0 HKAAMN COc1ccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc1OC ZINC000012657397 569402409 /nfs/dbraw/zinc/40/24/09/569402409.db2.gz CPZTYNWOPDNBNL-NRFANRHFSA-N 0 1 423.490 5.029 50 0 biogenic HKAAMN COc1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc1OC ZINC000012657400 569402481 /nfs/dbraw/zinc/40/24/81/569402481.db2.gz CPZTYNWOPDNBNL-OAQYLSRUSA-N 0 1 423.490 5.029 50 0 biogenic HKAAMN COc1ccc(-c2nnc([C@H](C)N3CCCCC[C@H]3c3ccc(OC)cc3)o2)cc1 ZINC000012690464 568913962 /nfs/dbraw/zinc/91/39/62/568913962.db2.gz UMCNQFZUFPNORF-JTSKRJEESA-N 0 1 407.514 5.432 50 0 HKAAMN Cc1ccc2cc(CN3CCC(c4nc5ccccc5o4)CC3)c(Cl)nc2c1C ZINC000012700836 568917258 /nfs/dbraw/zinc/91/72/58/568917258.db2.gz GVCDJIHVTSGSKV-UHFFFAOYSA-N 0 1 405.929 6.026 50 0 HKAAMN COC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000012709566 569383649 /nfs/dbraw/zinc/38/36/49/569383649.db2.gz XTLLGDTWEXVZSJ-GOSISDBHSA-N 0 1 413.562 5.215 50 0 HKAAMN COC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000012709573 569383718 /nfs/dbraw/zinc/38/37/18/569383718.db2.gz XTLLGDTWEXVZSJ-SFHVURJKSA-N 0 1 413.562 5.215 50 0 HKAAMN COc1ccc(-c2nc(CN(C)Cc3cccc4ccccc43)c(C)o2)cc1OC ZINC000012712818 558453624 /nfs/dbraw/zinc/45/36/24/558453624.db2.gz RMPQYHUPUZGWHP-UHFFFAOYSA-N 0 1 402.494 5.452 50 0 HKAAMN COc1ccc(-c2nc(CN3CCC(c4ccccc4)CC3)c(C)o2)c(OC)c1C ZINC000012716425 558455359 /nfs/dbraw/zinc/45/53/59/558455359.db2.gz KNRLSIAOAIQIFX-UHFFFAOYSA-N 0 1 406.526 5.355 50 0 HKAAMN O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012718560 558456146 /nfs/dbraw/zinc/45/61/46/558456146.db2.gz QKMXJQPMGZOVBW-LJQANCHMSA-N 0 1 407.901 5.017 50 0 HKAAMN O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012718561 558456267 /nfs/dbraw/zinc/45/62/67/558456267.db2.gz QKMXJQPMGZOVBW-IBGZPJMESA-N 0 1 407.901 5.017 50 0 HKAAMN Fc1ccc(-c2nc3cc4c(cc3cc2CNCc2ccccc2F)OCO4)cc1 ZINC000012727005 558457212 /nfs/dbraw/zinc/45/72/12/558457212.db2.gz ARBGWXFPNMJIFM-UHFFFAOYSA-N 0 1 404.416 5.199 50 0 HKAAMN Cc1c([C@@H](C)NCc2cnn(-c3ccccc3)c2)cnn1-c1cccc2ccccc21 ZINC000012744836 558457866 /nfs/dbraw/zinc/45/78/66/558457866.db2.gz GNAJUHYDDGTDRZ-LJQANCHMSA-N 0 1 407.521 5.370 50 0 HKAAMN Cc1c([C@H](C)NCc2cnn(-c3ccccc3)c2)cnn1-c1cccc2ccccc21 ZINC000012744838 558457886 /nfs/dbraw/zinc/45/78/86/558457886.db2.gz GNAJUHYDDGTDRZ-IBGZPJMESA-N 0 1 407.521 5.370 50 0 HKAAMN O=C(c1cccc2ccccc21)[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000012745367 558458046 /nfs/dbraw/zinc/45/80/46/558458046.db2.gz BDMMTCFAKZZXIH-LJQANCHMSA-N 0 1 401.535 5.182 50 0 HKAAMN O=C(c1cccc2ccccc21)[C@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000012745371 558458127 /nfs/dbraw/zinc/45/81/27/558458127.db2.gz BDMMTCFAKZZXIH-IBGZPJMESA-N 0 1 401.535 5.182 50 0 HKAAMN COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1ccco1)N1CCCCC1 ZINC000012746923 568932917 /nfs/dbraw/zinc/93/29/17/568932917.db2.gz AEBGIIDZWBBPPW-JOCHJYFZSA-N 0 1 424.566 5.794 50 0 HKAAMN COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1ccco1)N1CCCCC1 ZINC000012746930 568932925 /nfs/dbraw/zinc/93/29/25/568932925.db2.gz AEBGIIDZWBBPPW-QFIPXVFZSA-N 0 1 424.566 5.794 50 0 HKAAMN O=C(CCCc1c[nH]c2ccccc12)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000012756883 568944304 /nfs/dbraw/zinc/94/43/04/568944304.db2.gz TXVDIPVMBVOUIQ-HSZRJFAPSA-N 0 1 409.961 5.097 50 0 HKAAMN O=C(CCCc1c[nH]c2ccccc12)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000012756892 568944272 /nfs/dbraw/zinc/94/42/72/568944272.db2.gz TXVDIPVMBVOUIQ-QHCPKHFHSA-N 0 1 409.961 5.097 50 0 HKAAMN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nc(C=Cc2ccc(F)cc2)n[nH]1 ZINC000012757143 569403175 /nfs/dbraw/zinc/40/31/75/569403175.db2.gz QUXJDMNZHWFHND-RUNBWSAHSA-N 0 1 416.909 5.195 50 0 HKAAMN Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nc(C=Cc2ccc(F)cc2)n[nH]1 ZINC000012757149 569403184 /nfs/dbraw/zinc/40/31/84/569403184.db2.gz QUXJDMNZHWFHND-YKWSONSWSA-N 0 1 416.909 5.195 50 0 HKAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000012767368 568949477 /nfs/dbraw/zinc/94/94/77/568949477.db2.gz BMOQOPILKKINJT-FQEVSTJZSA-N 0 1 406.448 5.270 50 0 HKAAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000012767371 568949355 /nfs/dbraw/zinc/94/93/55/568949355.db2.gz BMOQOPILKKINJT-HXUWFJFHSA-N 0 1 406.448 5.270 50 0 HKAAMN O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000012774393 568953519 /nfs/dbraw/zinc/95/35/19/568953519.db2.gz XVKMFLOIVIUPGV-UHFFFAOYSA-N 0 1 417.490 5.285 50 0 HKAAMN Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)o1 ZINC000012775180 568953933 /nfs/dbraw/zinc/95/39/33/568953933.db2.gz DONFFFQIXKTVGI-UHFFFAOYSA-N 0 1 416.808 5.123 50 0 HKAAMN COc1ccc(NC(=O)[C@@H](Sc2nc3ccc(OC)cc3[nH]2)c2ccccc2)cc1 ZINC000012776906 568954976 /nfs/dbraw/zinc/95/49/76/568954976.db2.gz XBXWFBVBULUUNV-NRFANRHFSA-N 0 1 419.506 5.052 50 0 HKAAMN COc1ccc(NC(=O)[C@H](Sc2nc3ccc(OC)cc3[nH]2)c2ccccc2)cc1 ZINC000012776913 568955038 /nfs/dbraw/zinc/95/50/38/568955038.db2.gz XBXWFBVBULUUNV-OAQYLSRUSA-N 0 1 419.506 5.052 50 0 HKAAMN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1sc2cc(F)ccc2c1Cl ZINC000012787219 558463239 /nfs/dbraw/zinc/46/32/39/558463239.db2.gz HWKCXTOVHCPVGT-QGZVFWFLSA-N 0 1 402.922 5.261 50 0 HKAAMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1sc2cc(F)ccc2c1Cl ZINC000012787222 558463204 /nfs/dbraw/zinc/46/32/04/558463204.db2.gz HWKCXTOVHCPVGT-KRWDZBQOSA-N 0 1 402.922 5.261 50 0 HKAAMN Cc1sc2[nH]c(CN[C@H](C)c3ccccc3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012798004 558470268 /nfs/dbraw/zinc/47/02/68/558470268.db2.gz QGXOHIROXSGYHI-MRXNPFEDSA-N 0 1 403.551 5.428 50 0 HKAAMN Cc1sc2[nH]c(CN[C@@H](C)c3ccccc3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012798010 558470247 /nfs/dbraw/zinc/47/02/47/558470247.db2.gz QGXOHIROXSGYHI-INIZCTEOSA-N 0 1 403.551 5.428 50 0 HKAAMN COc1ccc([C@@H](NCc2ccc(C(=O)Nc3ccccc3)cc2)c2ccccc2)cc1 ZINC000012803272 568979237 /nfs/dbraw/zinc/97/92/37/568979237.db2.gz OZFKKEDYLMPCMX-MHZLTWQESA-N 0 1 422.528 5.827 50 0 HKAAMN COc1ccc([C@H](NCc2ccc(C(=O)Nc3ccccc3)cc2)c2ccccc2)cc1 ZINC000012803279 568979282 /nfs/dbraw/zinc/97/92/82/568979282.db2.gz OZFKKEDYLMPCMX-HHHXNRCGSA-N 0 1 422.528 5.827 50 0 HKAAMN C[C@@H](NCc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000012819865 568991698 /nfs/dbraw/zinc/99/16/98/568991698.db2.gz ZLFWQQIZAJCNNA-MRXNPFEDSA-N 0 1 415.562 5.381 50 0 HKAAMN C[C@H](NCc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000012819871 568991852 /nfs/dbraw/zinc/99/18/52/568991852.db2.gz ZLFWQQIZAJCNNA-INIZCTEOSA-N 0 1 415.562 5.381 50 0 HKAAMN Cc1cc(C)c(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(C)c1 ZINC000012820829 569004866 /nfs/dbraw/zinc/00/48/66/569004866.db2.gz KYDFSOQXPIMNFG-UHFFFAOYSA-N 0 1 416.344 5.134 50 0 HKAAMN Cc1cc(Br)cc(C)c1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000012851493 558479394 /nfs/dbraw/zinc/47/93/94/558479394.db2.gz ILJYYNUSPJMWMQ-UHFFFAOYSA-N 0 1 424.751 5.326 50 0 HKAAMN Cc1cccc(C(C)C)c1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012857291 569011223 /nfs/dbraw/zinc/01/12/23/569011223.db2.gz RZVWYOYBMNEBDB-UHFFFAOYSA-N 0 1 408.542 5.230 50 0 HKAAMN C[C@@H]1[C@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000012857351 569404119 /nfs/dbraw/zinc/40/41/19/569404119.db2.gz ONLWOWZCJPRUQU-OJTSAMLISA-N 0 1 401.506 5.541 50 0 HKAAMN COc1ccc2cc(CN[C@@H](Cc3ccccc3)c3ccccc3)c(Cl)nc2c1 ZINC000012858721 569011502 /nfs/dbraw/zinc/01/15/02/569011502.db2.gz XYXHUBNVTVBRSC-QHCPKHFHSA-N 0 1 402.925 5.970 50 0 HKAAMN COc1ccc2cc(CN[C@H](Cc3ccccc3)c3ccccc3)c(Cl)nc2c1 ZINC000012858731 569011479 /nfs/dbraw/zinc/01/14/79/569011479.db2.gz XYXHUBNVTVBRSC-HSZRJFAPSA-N 0 1 402.925 5.970 50 0 HKAAMN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CN[C@H](C)c1ccc(F)c(F)c1 ZINC000012867844 569012250 /nfs/dbraw/zinc/01/22/50/569012250.db2.gz QGQJCYKLHRYLAC-GFCCVEGCSA-N 0 1 424.322 5.984 50 0 HKAAMN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000012867852 569012272 /nfs/dbraw/zinc/01/22/72/569012272.db2.gz QGQJCYKLHRYLAC-LBPRGKRZSA-N 0 1 424.322 5.984 50 0 HKAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)N1CCCC1 ZINC000012882623 569019115 /nfs/dbraw/zinc/01/91/15/569019115.db2.gz VOYVDQIPUWRVSF-HXUWFJFHSA-N 0 1 424.928 5.176 50 0 HKAAMN COc1ccccc1[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)N1CCCC1 ZINC000012882627 569019098 /nfs/dbraw/zinc/01/90/98/569019098.db2.gz VOYVDQIPUWRVSF-FQEVSTJZSA-N 0 1 424.928 5.176 50 0 HKAAMN O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1c(Cl)cccc1Cl ZINC000012915600 569022537 /nfs/dbraw/zinc/02/25/37/569022537.db2.gz SMJTYGXJKGLDJQ-UHFFFAOYSA-N 0 1 421.324 5.105 50 0 HKAAMN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012918870 569022774 /nfs/dbraw/zinc/02/27/74/569022774.db2.gz GHBMLWWGWMINFP-DLBZAZTESA-N 0 1 412.455 6.050 50 0 HKAAMN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012918874 569022753 /nfs/dbraw/zinc/02/27/53/569022753.db2.gz GHBMLWWGWMINFP-IRXDYDNUSA-N 0 1 412.455 6.050 50 0 HKAAMN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012918877 569022768 /nfs/dbraw/zinc/02/27/68/569022768.db2.gz GHBMLWWGWMINFP-IAGOWNOFSA-N 0 1 412.455 6.050 50 0 HKAAMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000012918880 569022781 /nfs/dbraw/zinc/02/27/81/569022781.db2.gz GHBMLWWGWMINFP-SJORKVTESA-N 0 1 412.455 6.050 50 0 HKAAMN COc1ccc(NC(=O)c2ccc(CSc3nc(-c4ccccc4)n[nH]3)cc2)cc1 ZINC000012943184 569028770 /nfs/dbraw/zinc/02/87/70/569028770.db2.gz YGXGHRHHSCVIEK-UHFFFAOYSA-N 0 1 416.506 5.025 50 0 HKAAMN Cc1ccc(COc2ccsc2-c2n[nH]c(SC(=O)Cc3ccccc3)n2)cc1 ZINC000012954771 569405274 /nfs/dbraw/zinc/40/52/74/569405274.db2.gz CHHLKMJQKCQDMH-UHFFFAOYSA-N 0 1 421.547 5.282 50 0 HKAAMN Cc1ccc(C(=O)Nc2cccc(CNCc3ccc(OC(F)(F)F)cc3)c2)cc1 ZINC000012975568 569042002 /nfs/dbraw/zinc/04/20/02/569042002.db2.gz YIHQIAODWHPNPE-UHFFFAOYSA-N 0 1 414.427 5.436 50 0 HKAAMN O=C(Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000012978815 569042594 /nfs/dbraw/zinc/04/25/94/569042594.db2.gz WLMVOTMKOFTIQY-UHFFFAOYSA-N 0 1 412.824 5.022 50 0 HKAAMN Cc1cc(C)c(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c(Cl)c1 ZINC000012998996 558499666 /nfs/dbraw/zinc/49/96/66/558499666.db2.gz ACFCJVUKLBWJQM-UHFFFAOYSA-N 0 1 414.933 5.069 50 0 HKAAMN COC(=O)c1c(C)[nH]c(C(=O)CN[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)c1C ZINC000013004700 558501875 /nfs/dbraw/zinc/50/18/75/558501875.db2.gz IWKIMXQEKZNVNJ-DEOSSOPVSA-N 0 1 424.585 5.635 50 0 HKAAMN COC(=O)c1c(C)[nH]c(C(=O)CN[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)c1C ZINC000013004701 558501888 /nfs/dbraw/zinc/50/18/88/558501888.db2.gz IWKIMXQEKZNVNJ-XMMPIXPASA-N 0 1 424.585 5.635 50 0 HKAAMN CCN(CC)[C@@H](CNc1ncnc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000013040020 558506484 /nfs/dbraw/zinc/50/64/84/558506484.db2.gz NZWHWIRMTXHWIQ-KRWDZBQOSA-N 0 1 400.979 5.328 50 0 HKAAMN CCN(CC)[C@H](CNc1ncnc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000013040021 558506537 /nfs/dbraw/zinc/50/65/37/558506537.db2.gz NZWHWIRMTXHWIQ-QGZVFWFLSA-N 0 1 400.979 5.328 50 0 HKAAMN Cc1ccc(Sc2ccc(NC(=O)CN[C@H](C)c3cccc(Cl)c3)cc2)cc1C ZINC000013040173 569407853 /nfs/dbraw/zinc/40/78/53/569407853.db2.gz QVLHSTUGGYGSHJ-GOSISDBHSA-N 0 1 424.997 6.397 50 0 HKAAMN Cc1ccc(Sc2ccc(NC(=O)CN[C@@H](C)c3cccc(Cl)c3)cc2)cc1C ZINC000013040174 569407877 /nfs/dbraw/zinc/40/78/77/569407877.db2.gz QVLHSTUGGYGSHJ-SFHVURJKSA-N 0 1 424.997 6.397 50 0 HKAAMN Cc1ccc(C)c(Sc2ccc(NC(=O)CN[C@H](C)c3cccc(Cl)c3)cc2)c1 ZINC000013040175 569407885 /nfs/dbraw/zinc/40/78/85/569407885.db2.gz PCUFKJWOZKYAIP-GOSISDBHSA-N 0 1 424.997 6.397 50 0 HKAAMN Cc1ccc(C)c(Sc2ccc(NC(=O)CN[C@@H](C)c3cccc(Cl)c3)cc2)c1 ZINC000013040176 569407857 /nfs/dbraw/zinc/40/78/57/569407857.db2.gz PCUFKJWOZKYAIP-SFHVURJKSA-N 0 1 424.997 6.397 50 0 HKAAMN Cc1ccc(Sc2ccc(NC(=O)CN[C@H](C)c3cccc(Cl)c3)cc2)c(C)c1 ZINC000013040177 558506834 /nfs/dbraw/zinc/50/68/34/558506834.db2.gz IOVWWSUCVXEIIH-GOSISDBHSA-N 0 1 424.997 6.397 50 0 HKAAMN Cc1ccc(Sc2ccc(NC(=O)CN[C@@H](C)c3cccc(Cl)c3)cc2)c(C)c1 ZINC000013040178 558506807 /nfs/dbraw/zinc/50/68/07/558506807.db2.gz IOVWWSUCVXEIIH-SFHVURJKSA-N 0 1 424.997 6.397 50 0 HKAAMN Cc1ccc(Sc2ccc(NC(=O)CN[C@H](C)c3ccc(Cl)cc3)cc2)cc1C ZINC000013040186 569407874 /nfs/dbraw/zinc/40/78/74/569407874.db2.gz BEOIHFQIHLMDHT-GOSISDBHSA-N 0 1 424.997 6.397 50 0 HKAAMN Cc1ccc(Sc2ccc(NC(=O)CN[C@@H](C)c3ccc(Cl)cc3)cc2)cc1C ZINC000013040187 560791988 /nfs/dbraw/zinc/79/19/88/560791988.db2.gz BEOIHFQIHLMDHT-SFHVURJKSA-N 0 1 424.997 6.397 50 0 HKAAMN Cc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000013040622 569407945 /nfs/dbraw/zinc/40/79/45/569407945.db2.gz MQNMRGCBXLXWCX-UHFFFAOYSA-N 0 1 409.841 5.520 50 0 HKAAMN Cc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013041900 569408028 /nfs/dbraw/zinc/40/80/28/569408028.db2.gz VNJMQRCARAFLIM-QGZVFWFLSA-N 0 1 406.913 5.169 50 0 HKAAMN Cc1ccccc1[C@H](C)NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013041901 569408134 /nfs/dbraw/zinc/40/81/34/569408134.db2.gz VNJMQRCARAFLIM-KRWDZBQOSA-N 0 1 406.913 5.169 50 0 HKAAMN CCN(CC)[C@@H](CNc1ncnc2sc3c(c21)CCCC3)c1ccccc1Cl ZINC000013041952 558507682 /nfs/dbraw/zinc/50/76/82/558507682.db2.gz HXRYJWARMGFFCX-SFHVURJKSA-N 0 1 415.006 5.719 50 0 HKAAMN CCN(CC)[C@H](CNc1ncnc2sc3c(c21)CCCC3)c1ccccc1Cl ZINC000013041953 558507705 /nfs/dbraw/zinc/50/77/05/558507705.db2.gz HXRYJWARMGFFCX-GOSISDBHSA-N 0 1 415.006 5.719 50 0 HKAAMN Cc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000013069230 558510929 /nfs/dbraw/zinc/51/09/29/558510929.db2.gz HKKKOZZNRJNEGQ-UHFFFAOYSA-N 0 1 409.841 5.520 50 0 HKAAMN Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCN(C)CC3)c2c1C ZINC000013095312 558512582 /nfs/dbraw/zinc/51/25/82/558512582.db2.gz BHZREAJWASTZAE-UHFFFAOYSA-N 0 1 419.019 5.006 50 0 HKAAMN CN(C)[C@@H](CNc1nc(-c2cccnc2)nc2ccccc21)c1ccccc1Cl ZINC000013099069 558514119 /nfs/dbraw/zinc/51/41/19/558514119.db2.gz ANQIUXIPGPLQQO-NRFANRHFSA-N 0 1 403.917 5.060 50 0 HKAAMN CN(C)[C@H](CNc1nc(-c2cccnc2)nc2ccccc21)c1ccccc1Cl ZINC000013099070 558514050 /nfs/dbraw/zinc/51/40/50/558514050.db2.gz ANQIUXIPGPLQQO-OAQYLSRUSA-N 0 1 403.917 5.060 50 0 HKAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)c1ccc2ccccc2c1 ZINC000013120864 558517066 /nfs/dbraw/zinc/51/70/66/558517066.db2.gz XVFRQTUUWZNUDZ-UHFFFAOYSA-N 0 1 424.323 5.362 50 0 HKAAMN S=c1sc(SC[C@@H]2CN[C@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 ZINC000013131561 558520055 /nfs/dbraw/zinc/52/00/55/558520055.db2.gz QGVYENGYDQFOBU-HOTGVXAUSA-N 0 1 422.000 5.096 50 0 HKAAMN O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000013137399 558521444 /nfs/dbraw/zinc/52/14/44/558521444.db2.gz RWFJYFRIQPJTJS-UHFFFAOYSA-N 0 1 402.633 5.049 50 0 HKAAMN COc1cc2c(cc1NC(=O)CSc1nc3ccc(C)cc3[nH]1)oc1ccccc12 ZINC000013153788 558524312 /nfs/dbraw/zinc/52/43/12/558524312.db2.gz ARQOTDOAWOEAFK-UHFFFAOYSA-N 0 1 417.490 5.510 50 0 aggregator HKAAMN Cc1cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c(C)n1CCc1cccs1 ZINC000013163266 569211708 /nfs/dbraw/zinc/21/17/08/569211708.db2.gz ZELDTMFNWFQMKE-UHFFFAOYSA-N 0 1 422.579 5.169 50 0 HKAAMN Clc1cccc(-c2nc(-c3cccc4ccccc43)[nH]c2-c2ccccc2)c1Cl ZINC000013284540 558529098 /nfs/dbraw/zinc/52/90/98/558529098.db2.gz GPRFZQZEWNZXKX-UHFFFAOYSA-N 0 1 415.323 7.871 50 0 HKAAMN COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)c(OC)c1C ZINC000013284542 558529125 /nfs/dbraw/zinc/52/91/25/558529125.db2.gz PFQPCBJZZNSMGC-UHFFFAOYSA-N 0 1 404.897 6.390 50 0 HKAAMN Cc1ccc(C)c(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000013284558 558529160 /nfs/dbraw/zinc/52/91/60/558529160.db2.gz HZRABNTZMRCGKL-UHFFFAOYSA-N 0 1 403.323 6.790 50 0 HKAAMN Clc1cccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)c1Cl ZINC000013284562 558529085 /nfs/dbraw/zinc/52/90/85/558529085.db2.gz XJYQVPVFZIDDJH-UHFFFAOYSA-N 0 1 404.300 7.199 50 0 HKAAMN COc1cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)cc2c1OCO2 ZINC000013284581 558529110 /nfs/dbraw/zinc/52/91/10/558529110.db2.gz XNVJEJGFPYYHPX-UHFFFAOYSA-N 0 1 404.853 5.801 50 0 HKAAMN COc1ccccc1NC(=O)Nc1ccc(CCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000013348225 569410919 /nfs/dbraw/zinc/41/09/19/569410919.db2.gz DUDMFUJGJAHXIH-UHFFFAOYSA-N 0 1 400.482 5.309 50 0 HKAAMN Cc1ccc2nc(CCc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1 ZINC000013348227 569410955 /nfs/dbraw/zinc/41/09/55/569410955.db2.gz DRQBKDOPCCUTPC-UHFFFAOYSA-N 0 1 404.901 5.954 50 0 HKAAMN Cc1ccc(-c2coc(-c3cccc(NS(=O)(=O)c4ccccc4Cl)c3)n2)cc1 ZINC000013359191 569411589 /nfs/dbraw/zinc/41/15/89/569411589.db2.gz RQQSUXGMWWEVTP-UHFFFAOYSA-N 0 1 424.909 5.771 50 0 HKAAMN O=C(CSc1[nH]c(-c2cccc(F)c2)nc1-c1ccccc1)Nc1nccs1 ZINC000013365808 569412264 /nfs/dbraw/zinc/41/22/64/569412264.db2.gz DLUNFCGEYPSMNO-UHFFFAOYSA-N 0 1 410.499 5.070 50 0 HKAAMN Cc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2nccs2)cc1 ZINC000013365810 569412165 /nfs/dbraw/zinc/41/21/65/569412165.db2.gz NLRIVDFVKBIEBB-UHFFFAOYSA-N 0 1 406.536 5.239 50 0 HKAAMN COc1ccc([C@@H]2CN(C)C[C@@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000013396436 569413313 /nfs/dbraw/zinc/41/33/13/569413313.db2.gz LSZXSJRLEMPHQV-VXKWHMMOSA-N 0 1 411.973 5.924 50 0 HKAAMN COc1ccc([C@H]2CN(C)C[C@@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000013396439 569413337 /nfs/dbraw/zinc/41/33/37/569413337.db2.gz LSZXSJRLEMPHQV-YADHBBJMSA-N 0 1 411.973 5.924 50 0 HKAAMN Cc1ccc(C(=O)[C@H]2[C@H](c3cccs3)N(C)C[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000013399237 569413294 /nfs/dbraw/zinc/41/32/94/569413294.db2.gz XNDXEIYARWEMSV-MZYLBHOOSA-N 0 1 403.547 5.350 50 0 HKAAMN Cc1ccc(C(=O)[C@H]2CN(C)[C@@H](c3cccs3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000013399243 558531517 /nfs/dbraw/zinc/53/15/17/558531517.db2.gz XNDXEIYARWEMSV-WWNPGLIZSA-N 0 1 403.547 5.350 50 0 HKAAMN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)c3ccccc3)c2)[nH]1 ZINC000013524440 558536743 /nfs/dbraw/zinc/53/67/43/558536743.db2.gz VXPWQNBKEIVYIS-HNNXBMFYSA-N 0 1 404.514 6.173 50 0 in-vivo HKAAMN COc1ccc(-c2[nH]c(-c3ccc(F)c(Br)c3)nc2-c2ccccc2)cc1 ZINC000013534455 558537334 /nfs/dbraw/zinc/53/73/34/558537334.db2.gz XQTYULZPLSANBU-UHFFFAOYSA-N 0 1 423.285 6.321 50 0 HKAAMN COc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1 ZINC000013563673 558540811 /nfs/dbraw/zinc/54/08/11/558540811.db2.gz RDUYWIXGHVHTDH-UHFFFAOYSA-N 0 1 423.285 6.321 50 0 HKAAMN Cc1ccc(SC(=C(c2nc3ccc(C)cc3[nH]2)[N+](=O)[O-])C(Cl)Cl)cc1 ZINC000013572198 558844672 /nfs/dbraw/zinc/84/46/72/558844672.db2.gz XFWRGFLXRYTXBY-SDXDJHTJSA-N 0 1 408.310 6.026 50 0 HKAAMN COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)cc1Br ZINC000013598538 558547642 /nfs/dbraw/zinc/54/76/42/558547642.db2.gz BMRMRMXYXXLYTO-UHFFFAOYSA-N 0 1 423.285 6.321 50 0 HKAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 ZINC000013759374 558590969 /nfs/dbraw/zinc/59/09/69/558590969.db2.gz WHZYEDGTWVFQTK-TUACAJSNSA-N 0 1 415.961 5.226 50 0 HKAAMN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 ZINC000013759377 558591029 /nfs/dbraw/zinc/59/10/29/558591029.db2.gz WHZYEDGTWVFQTK-AGILITTLSA-N 0 1 415.961 5.226 50 0 HKAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc1OC ZINC000013770213 558591725 /nfs/dbraw/zinc/59/17/25/558591725.db2.gz SCUTXQRXFFYAIA-WUMKDDEVSA-N 0 1 415.961 5.226 50 0 HKAAMN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc1OC ZINC000013770217 558591746 /nfs/dbraw/zinc/59/17/46/558591746.db2.gz SCUTXQRXFFYAIA-CTUHWIOQSA-N 0 1 415.961 5.226 50 0 HKAAMN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)c1 ZINC000013778148 558592829 /nfs/dbraw/zinc/59/28/29/558592829.db2.gz GLHGQZPOQWRWTJ-TUACAJSNSA-N 0 1 415.961 5.226 50 0 HKAAMN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)c1 ZINC000013778150 558592935 /nfs/dbraw/zinc/59/29/35/558592935.db2.gz GLHGQZPOQWRWTJ-AGILITTLSA-N 0 1 415.961 5.226 50 0 HKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccccc3Br)n2)c1O ZINC000013811361 558595841 /nfs/dbraw/zinc/59/58/41/558595841.db2.gz SZANDANXDZWVST-UHFFFAOYSA-N 0 1 423.266 5.566 50 0 HKAAMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N(c1ccccc1)c1ccccc1 ZINC000013856340 560829005 /nfs/dbraw/zinc/82/90/05/560829005.db2.gz JHBCTQYFSHJFRB-UHFFFAOYSA-N 0 1 420.925 5.582 50 0 HKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000013896584 558600541 /nfs/dbraw/zinc/60/05/41/558600541.db2.gz QXSVXLDPDYIOQW-UHFFFAOYSA-N 0 1 421.305 5.047 50 0 HKAAMN O=c1oc2cc(O)ccc2cc1-c1csc(-c2cc3cc(Cl)ccc3oc2=O)n1 ZINC000013898516 558600716 /nfs/dbraw/zinc/60/07/16/558600716.db2.gz RHSDKLSMZRQFHF-UHFFFAOYSA-N 0 1 423.833 5.049 50 0 HKAAMN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C1CC1)C(c1ccccc1)=N2 ZINC000014017546 559143362 /nfs/dbraw/zinc/14/33/62/559143362.db2.gz XUAXIACJGKLHHN-VWLOTQADSA-N 0 1 404.517 5.826 50 0 HKAAMN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(C1CC1)C(c1ccccc1)=N2 ZINC000014017549 559143373 /nfs/dbraw/zinc/14/33/73/559143373.db2.gz XUAXIACJGKLHHN-RUZDIDTESA-N 0 1 404.517 5.826 50 0 HKAAMN COc1cccc(-c2nc(CSc3nc(-c4ccc(C)cc4)n[nH]3)cs2)c1OC ZINC000014069451 558617261 /nfs/dbraw/zinc/61/72/61/558617261.db2.gz FCHNTWUGNNNRHP-UHFFFAOYSA-N 0 1 424.551 5.213 50 0 HKAAMN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nc(-c3cccs3)n[nH]2)c1 ZINC000014070513 558617502 /nfs/dbraw/zinc/61/75/02/558617502.db2.gz KDMZBUQRPWQUGO-UHFFFAOYSA-N 0 1 420.563 5.167 50 0 HKAAMN Cc1ccc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)cc1C ZINC000014138985 559153228 /nfs/dbraw/zinc/15/32/28/559153228.db2.gz SXMFIXWNDPYPDV-NRFANRHFSA-N 0 1 416.502 5.418 50 0 HKAAMN Cc1ccc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)cc1C ZINC000014138986 559153250 /nfs/dbraw/zinc/15/32/50/559153250.db2.gz SXMFIXWNDPYPDV-OAQYLSRUSA-N 0 1 416.502 5.418 50 0 HKAAMN C[C@@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000014183599 558629408 /nfs/dbraw/zinc/62/94/08/558629408.db2.gz JSBKMORFMYPAGM-MRXNPFEDSA-N 0 1 415.562 5.381 50 0 HKAAMN C[C@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000014183600 558629412 /nfs/dbraw/zinc/62/94/12/558629412.db2.gz JSBKMORFMYPAGM-INIZCTEOSA-N 0 1 415.562 5.381 50 0 HKAAMN O=C(CSc1nc(C=Cc2cccs2)n[nH]1)Nc1ccc(SC(F)F)cc1 ZINC000014809465 558673631 /nfs/dbraw/zinc/67/36/31/558673631.db2.gz LQPAZEYNTOQEHP-BQYQJAHWSA-N 0 1 424.523 5.082 50 0 HKAAMN Cc1cc(-c2nn(-c3ccccc3F)cc2CN[C@H](C)c2cn(C)nc2C)c(C)s1 ZINC000014950052 558680852 /nfs/dbraw/zinc/68/08/52/558680852.db2.gz ZAQNYGCVQXUUPY-OAHLLOKOSA-N 0 1 423.561 5.249 50 0 HKAAMN Cc1cc(-c2nn(-c3ccccc3F)cc2CN[C@@H](C)c2cn(C)nc2C)c(C)s1 ZINC000014950055 558680708 /nfs/dbraw/zinc/68/07/08/558680708.db2.gz ZAQNYGCVQXUUPY-HNNXBMFYSA-N 0 1 423.561 5.249 50 0 HKAAMN COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)Cc2ccsc2)cc1 ZINC000014953801 558681778 /nfs/dbraw/zinc/68/17/78/558681778.db2.gz YPWBVLBNSYSBJW-UHFFFAOYSA-N 0 1 407.514 5.381 50 0 HKAAMN O=C(CC[C@@H]1CCCN(Cc2ccccc2OC(F)F)C1)Nc1ccccc1F ZINC000014954186 558681804 /nfs/dbraw/zinc/68/18/04/558681804.db2.gz OAZHMMFEGYLJFE-INIZCTEOSA-N 0 1 406.448 5.058 50 0 HKAAMN O=C(CC[C@H]1CCCN(Cc2ccccc2OC(F)F)C1)Nc1ccccc1F ZINC000014954190 558681614 /nfs/dbraw/zinc/68/16/14/558681614.db2.gz OAZHMMFEGYLJFE-MRXNPFEDSA-N 0 1 406.448 5.058 50 0 HKAAMN COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4c(C)nn(C(C)C)c4C)C3)ccc2c1 ZINC000014954575 558681890 /nfs/dbraw/zinc/68/18/90/558681890.db2.gz VSEUWCKCOKGWFP-HSZRJFAPSA-N 0 1 419.569 5.338 50 0 HKAAMN COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4c(C)nn(C(C)C)c4C)C3)ccc2c1 ZINC000014954579 558681952 /nfs/dbraw/zinc/68/19/52/558681952.db2.gz VSEUWCKCOKGWFP-QHCPKHFHSA-N 0 1 419.569 5.338 50 0 HKAAMN O=C(NC1CCCC1)c1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1 ZINC000014970090 558687029 /nfs/dbraw/zinc/68/70/29/558687029.db2.gz FNERPXAFOGRTOK-UHFFFAOYSA-N 0 1 418.990 5.117 50 0 HKAAMN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NCc1cnc(N2CCCC2)s1 ZINC000014976056 558689299 /nfs/dbraw/zinc/68/92/99/558689299.db2.gz HLJOUVJJAHXXAP-FQEVSTJZSA-N 0 1 421.614 5.041 50 0 HKAAMN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NCc1cnc(N2CCCC2)s1 ZINC000014976058 558689225 /nfs/dbraw/zinc/68/92/25/558689225.db2.gz HLJOUVJJAHXXAP-HXUWFJFHSA-N 0 1 421.614 5.041 50 0 HKAAMN COc1ccc(-c2nc(CN3CC[C@@H](c4ccccc4Cl)C3)c(C)o2)cc1OC ZINC000014977090 558689781 /nfs/dbraw/zinc/68/97/81/558689781.db2.gz GVEGCEJZIMMYGS-QGZVFWFLSA-N 0 1 412.917 5.310 50 0 HKAAMN COc1ccc(-c2nc(CN3CC[C@H](c4ccccc4Cl)C3)c(C)o2)cc1OC ZINC000014977093 558689794 /nfs/dbraw/zinc/68/97/94/558689794.db2.gz GVEGCEJZIMMYGS-KRWDZBQOSA-N 0 1 412.917 5.310 50 0 HKAAMN Cc1ccccc1-c1cn[nH]c1[C@@H]1CCCN(C(=O)c2scc3c2CCCC3)C1 ZINC000014997521 558696550 /nfs/dbraw/zinc/69/65/50/558696550.db2.gz LGXVJJAPMAMVCK-QGZVFWFLSA-N 0 1 405.567 5.345 50 0 HKAAMN Cc1ccccc1-c1cn[nH]c1[C@H]1CCCN(C(=O)c2scc3c2CCCC3)C1 ZINC000014997524 558696597 /nfs/dbraw/zinc/69/65/97/558696597.db2.gz LGXVJJAPMAMVCK-KRWDZBQOSA-N 0 1 405.567 5.345 50 0 HKAAMN Cc1nn(C(C)C)c(C)c1CN[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000015062110 558705062 /nfs/dbraw/zinc/70/50/62/558705062.db2.gz JMOHCDPSIBGHGQ-JOCHJYFZSA-N 0 1 409.553 5.209 50 0 HKAAMN Cc1nn(C(C)C)c(C)c1CN[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000015062112 558705167 /nfs/dbraw/zinc/70/51/67/558705167.db2.gz JMOHCDPSIBGHGQ-QFIPXVFZSA-N 0 1 409.553 5.209 50 0 HKAAMN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3ccc(Cl)s3)C2)c(C)c1 ZINC000015063438 558706168 /nfs/dbraw/zinc/70/61/68/558706168.db2.gz KFZFWBMZRBICPA-INIZCTEOSA-N 0 1 406.979 5.349 50 0 HKAAMN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3ccc(Cl)s3)C2)c(C)c1 ZINC000015063439 558706105 /nfs/dbraw/zinc/70/61/05/558706105.db2.gz KFZFWBMZRBICPA-MRXNPFEDSA-N 0 1 406.979 5.349 50 0 HKAAMN Cc1c([C@@H](C)NCc2cn(C)nc2-c2ccccc2)cnn1-c1cccc2ccccc21 ZINC000015064319 558707222 /nfs/dbraw/zinc/70/72/22/558707222.db2.gz LFIJYJNRIYBDKS-LJQANCHMSA-N 0 1 421.548 5.585 50 0 HKAAMN Cc1c([C@H](C)NCc2cn(C)nc2-c2ccccc2)cnn1-c1cccc2ccccc21 ZINC000015064320 558707282 /nfs/dbraw/zinc/70/72/82/558707282.db2.gz LFIJYJNRIYBDKS-IBGZPJMESA-N 0 1 421.548 5.585 50 0 HKAAMN COc1cccc(-c2cccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)c2)c1 ZINC000015064972 558707814 /nfs/dbraw/zinc/70/78/14/558707814.db2.gz JEKJISOEIWAEPW-UHFFFAOYSA-N 0 1 418.512 5.352 50 0 HKAAMN COc1cc(CN[C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)cc(OC)c1 ZINC000015067880 558710706 /nfs/dbraw/zinc/71/07/06/558710706.db2.gz AYWYSQZEIGUNHP-KRWDZBQOSA-N 0 1 401.510 5.202 50 0 HKAAMN COc1cc(CN[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)cc(OC)c1 ZINC000015067882 558710645 /nfs/dbraw/zinc/71/06/45/558710645.db2.gz AYWYSQZEIGUNHP-QGZVFWFLSA-N 0 1 401.510 5.202 50 0 HKAAMN COc1ccc(NC(=O)CCC2CCN(Cc3ccc(Cl)s3)CC2)c(OC)c1 ZINC000015070038 558712115 /nfs/dbraw/zinc/71/21/15/558712115.db2.gz ZIGFSFDMNFRGBF-UHFFFAOYSA-N 0 1 422.978 5.050 50 0 HKAAMN O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000015071004 558712814 /nfs/dbraw/zinc/71/28/14/558712814.db2.gz RSLCBKHGVLYSNQ-UHFFFAOYSA-N 0 1 411.958 5.314 50 0 HKAAMN Cc1cc(CN(C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)n[nH]1 ZINC000015071752 558713327 /nfs/dbraw/zinc/71/33/27/558713327.db2.gz ATFDQDDBJOVMTJ-UHFFFAOYSA-N 0 1 411.509 5.008 50 0 HKAAMN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCN(Cc2ccccn2)CC1 ZINC000015072987 558714008 /nfs/dbraw/zinc/71/40/08/558714008.db2.gz KNUGUFFDCIZISS-UHFFFAOYSA-N 0 1 410.521 5.081 50 0 HKAAMN CCOc1ccccc1-c1nc(CN2CCC(OCc3ccccc3)CC2)c(C)o1 ZINC000015075301 558715783 /nfs/dbraw/zinc/71/57/83/558715783.db2.gz KUPDQFGAMBOHJD-UHFFFAOYSA-N 0 1 406.526 5.230 50 0 HKAAMN CCN(Cc1cnn(C)c1)Cc1cn(-c2ccccc2F)nc1-c1cc(C)sc1C ZINC000015076803 558716826 /nfs/dbraw/zinc/71/68/26/558716826.db2.gz BCUHSDQLXHAACL-UHFFFAOYSA-N 0 1 423.561 5.112 50 0 HKAAMN COc1ccc(/C=C/c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1OC ZINC000015109398 558723667 /nfs/dbraw/zinc/72/36/67/558723667.db2.gz KSNAZRODYRCXHM-FYWRMAATSA-N 0 1 411.461 5.099 50 0 HKAAMN COc1cccc(NC(=O)[C@@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 ZINC000015227774 568821015 /nfs/dbraw/zinc/82/10/15/568821015.db2.gz ANIUQWOUIMIKAE-SFHVURJKSA-N 0 1 422.535 5.014 50 0 HKAAMN COc1cccc(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 ZINC000015227776 568820967 /nfs/dbraw/zinc/82/09/67/568820967.db2.gz ANIUQWOUIMIKAE-GOSISDBHSA-N 0 1 422.535 5.014 50 0 HKAAMN Clc1ccc(-c2csc3ncnc(N4CCN(Cc5ccccc5)CC4)c23)cc1 ZINC000015346309 558734864 /nfs/dbraw/zinc/73/48/64/558734864.db2.gz NKVKYJXOIZZEDT-UHFFFAOYSA-N 0 1 420.969 5.334 50 0 HKAAMN O=C(Nc1ccccc1)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000015348632 568877506 /nfs/dbraw/zinc/87/75/06/568877506.db2.gz DYCFDWMXCLUHEW-UHFFFAOYSA-N 0 1 421.305 5.047 50 0 HKAAMN CCn1c(CN2CCCC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000015669124 568960814 /nfs/dbraw/zinc/96/08/14/568960814.db2.gz LFRWRHSPEXUMJZ-UHFFFAOYSA-N 0 1 404.558 5.202 50 0 HKAAMN CCCCC1C(C)=NN(c2nc(C)c(C(=O)Nc3cc(Cl)ccc3C)s2)C1=O ZINC000015671480 568962097 /nfs/dbraw/zinc/96/20/97/568962097.db2.gz MVFWPAWPEPNTES-UHFFFAOYSA-N 0 1 418.950 5.208 50 0 HKAAMN CCCCC1C(C)=NN(c2nc(C)c(C(=O)Nc3ccc(C)c(Cl)c3)s2)C1=O ZINC000015671489 568962071 /nfs/dbraw/zinc/96/20/71/568962071.db2.gz BMNQGTFUOGYTGR-UHFFFAOYSA-N 0 1 418.950 5.208 50 0 HKAAMN CCc1ccc(NC(=O)c2sc(N3N=C(C)C(CCC(C)C)C3=O)nc2C)cc1 ZINC000015671521 568961972 /nfs/dbraw/zinc/96/19/72/568961972.db2.gz LDAZHEXZNICLHU-UHFFFAOYSA-N 0 1 412.559 5.055 50 0 HKAAMN Cc1nc(N2N=C(C)C(CCC(C)C)C2=O)sc1C(=O)Nc1cccc(Cl)c1 ZINC000015671524 568961825 /nfs/dbraw/zinc/96/18/25/568961825.db2.gz CFMSYCCUVMUEOO-UHFFFAOYSA-N 0 1 418.950 5.146 50 0 HKAAMN Cc1nc(N2N=C(C)C(CCC(C)C)C2=O)sc1C(=O)Nc1cccc(C)c1C ZINC000015671531 568961789 /nfs/dbraw/zinc/96/17/89/568961789.db2.gz MTKGUSITIXDOPO-UHFFFAOYSA-N 0 1 412.559 5.109 50 0 HKAAMN N[C@@H](Sc1nc(=O)n(C2CCCCC2)c2c1CCC2)c1cccc2ccccc21 ZINC000015840355 558756712 /nfs/dbraw/zinc/75/67/12/558756712.db2.gz NDHNCJKBQJOWDB-QFIPXVFZSA-N 0 1 405.567 5.140 50 0 HKAAMN N[C@H](Sc1nc(=O)n(C2CCCCC2)c2c1CCC2)c1cccc2ccccc21 ZINC000015840357 558756760 /nfs/dbraw/zinc/75/67/60/558756760.db2.gz NDHNCJKBQJOWDB-JOCHJYFZSA-N 0 1 405.567 5.140 50 0 HKAAMN Cc1nc(N2N=C(C)C(CCC(C)C)C2=O)sc1C(=O)Nc1ccc(C)c(C)c1 ZINC000015858762 569014989 /nfs/dbraw/zinc/01/49/89/569014989.db2.gz ANZKQVWEBLPEBL-UHFFFAOYSA-N 0 1 412.559 5.109 50 0 HKAAMN O=C(CN1CCCCCC1)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000015859094 569015068 /nfs/dbraw/zinc/01/50/68/569015068.db2.gz SIMZLKDINMSJED-UHFFFAOYSA-N 0 1 420.944 5.279 50 0 HKAAMN O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(F)c1)N1CCCCC1)c1ccco1 ZINC000015859323 569015064 /nfs/dbraw/zinc/01/50/64/569015064.db2.gz PXTAPPANCVALBX-HSZRJFAPSA-N 0 1 418.468 5.993 50 0 HKAAMN O=C(Nc1c2ccccc2oc1[C@H](c1cccc(F)c1)N1CCCCC1)c1ccco1 ZINC000015859324 569015101 /nfs/dbraw/zinc/01/51/01/569015101.db2.gz PXTAPPANCVALBX-QHCPKHFHSA-N 0 1 418.468 5.993 50 0 HKAAMN O=C(Nc1c2ccccc2oc1[C@H](c1cccnc1)N1CCCCC1)c1ccccc1 ZINC000015859525 569015350 /nfs/dbraw/zinc/01/53/50/569015350.db2.gz YRQLIGKTYYJNDI-DEOSSOPVSA-N 0 1 411.505 5.655 50 0 HKAAMN O=C(Nc1c2ccccc2oc1[C@@H](c1cccnc1)N1CCCCC1)c1ccccc1 ZINC000015859526 569015336 /nfs/dbraw/zinc/01/53/36/569015336.db2.gz YRQLIGKTYYJNDI-XMMPIXPASA-N 0 1 411.505 5.655 50 0 HKAAMN Cc1ccc([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCCCC2)o1 ZINC000015860203 558757959 /nfs/dbraw/zinc/75/79/59/558757959.db2.gz ZJULDQGVALWFME-HSZRJFAPSA-N 0 1 402.538 5.063 50 0 HKAAMN Cc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCCCC2)o1 ZINC000015860204 558757821 /nfs/dbraw/zinc/75/78/21/558757821.db2.gz ZJULDQGVALWFME-QHCPKHFHSA-N 0 1 402.538 5.063 50 0 HKAAMN Cc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCC(C)CC2)o1 ZINC000015860327 558757790 /nfs/dbraw/zinc/75/77/90/558757790.db2.gz YUVCOYKDCOUTIC-DEOSSOPVSA-N 0 1 416.565 5.309 50 0 HKAAMN Cc1ccc([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCC(C)CC2)o1 ZINC000015860328 558757870 /nfs/dbraw/zinc/75/78/70/558757870.db2.gz YUVCOYKDCOUTIC-XMMPIXPASA-N 0 1 416.565 5.309 50 0 HKAAMN Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCC(C)CC2)o1 ZINC000015860495 558758398 /nfs/dbraw/zinc/75/83/98/558758398.db2.gz ADESFOCSZURZTM-IBGZPJMESA-N 0 1 414.933 5.499 50 0 HKAAMN Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCC(C)CC2)o1 ZINC000015860496 558758358 /nfs/dbraw/zinc/75/83/58/558758358.db2.gz ADESFOCSZURZTM-LJQANCHMSA-N 0 1 414.933 5.499 50 0 HKAAMN Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCC(C)CC2)o1 ZINC000015860499 558758381 /nfs/dbraw/zinc/75/83/81/558758381.db2.gz NXOGNGLOKQXTRX-FQEVSTJZSA-N 0 1 408.542 5.462 50 0 HKAAMN Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCC(C)CC2)o1 ZINC000015860500 558758364 /nfs/dbraw/zinc/75/83/64/558758364.db2.gz NXOGNGLOKQXTRX-HXUWFJFHSA-N 0 1 408.542 5.462 50 0 HKAAMN Cc1ccc2nc(CCc3ccc(NC(=O)c4cc5ccccc5oc4=O)cc3)[nH]c2c1 ZINC000015861916 569015639 /nfs/dbraw/zinc/01/56/39/569015639.db2.gz YSYAUOIAWVXNLO-UHFFFAOYSA-N 0 1 423.472 5.015 50 0 HKAAMN Cc1ccc2nc(CCc3ccc(NC(=O)CCc4nc5ccccc5[nH]4)cc3)[nH]c2c1 ZINC000015861919 569015684 /nfs/dbraw/zinc/01/56/84/569015684.db2.gz HRAUADKUXPFKSJ-UHFFFAOYSA-N 0 1 423.520 5.104 50 0 HKAAMN Cc1ccc2c(=O)cc(CN(Cc3ccccc3)Cc3ccc(F)cc3)[nH]c2c1C ZINC000015862279 569015811 /nfs/dbraw/zinc/01/58/11/569015811.db2.gz SWTPTKMQYMWOBZ-UHFFFAOYSA-N 0 1 400.497 5.486 50 0 HKAAMN Cc1cc(C)c2[nH]c(CN(Cc3ccccc3)Cc3ccc(F)cc3)cc(=O)c2c1 ZINC000015862280 569015807 /nfs/dbraw/zinc/01/58/07/569015807.db2.gz BGQJUMAFZKBJSO-UHFFFAOYSA-N 0 1 400.497 5.486 50 0 HKAAMN Cc1cc(C)c2c(=O)cc(CN(Cc3ccccc3)Cc3ccc(F)cc3)[nH]c2c1 ZINC000015862281 569015840 /nfs/dbraw/zinc/01/58/40/569015840.db2.gz CIVBXGBHMSKXNY-UHFFFAOYSA-N 0 1 400.497 5.486 50 0 HKAAMN O=c1cc(CN(Cc2ccccc2)Cc2ccc(F)cc2)[nH]c2ccc(Cl)cc12 ZINC000015862282 569015796 /nfs/dbraw/zinc/01/57/96/569015796.db2.gz LNLLIRHYWBEACP-UHFFFAOYSA-N 0 1 406.888 5.523 50 0 HKAAMN Cc1ccc2[nH]c(CN(Cc3ccccc3)Cc3ccc(Cl)cc3)cc(=O)c2c1 ZINC000015862301 569015820 /nfs/dbraw/zinc/01/58/20/569015820.db2.gz WWWITHZYCLCYIE-UHFFFAOYSA-N 0 1 402.925 5.692 50 0 HKAAMN Cc1cc(C)c2c(=O)cc(CN(Cc3ccccc3)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000015862302 569015844 /nfs/dbraw/zinc/01/58/44/569015844.db2.gz WPPZBPSVXIEWEV-UHFFFAOYSA-N 0 1 416.952 6.001 50 0 HKAAMN CCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 ZINC000015862362 569015851 /nfs/dbraw/zinc/01/58/51/569015851.db2.gz KBYKTEVLTDRNIR-UHFFFAOYSA-N 0 1 416.496 5.268 50 0 HKAAMN COc1ccc(CCC(=O)Nc2cccc(CCc3nc4ccc(C)cc4[nH]3)c2)cc1 ZINC000015863585 569016137 /nfs/dbraw/zinc/01/61/37/569016137.db2.gz XGOLJNDHJWPYIL-UHFFFAOYSA-N 0 1 413.521 5.236 50 0 HKAAMN Cc1ccc2nc(CCc3cccc(NC(=O)COc4ccc(Cl)cc4)c3)[nH]c2c1 ZINC000015863597 569016166 /nfs/dbraw/zinc/01/61/66/569016166.db2.gz BKLATKGLVXQNDZ-UHFFFAOYSA-N 0 1 419.912 5.327 50 0 HKAAMN Cc1ccc2nc(CCc3cccc(NC(=O)c4cc5ccccc5oc4=O)c3)[nH]c2c1 ZINC000015863608 569016207 /nfs/dbraw/zinc/01/62/07/569016207.db2.gz NXRVEFZMGOVBPN-UHFFFAOYSA-N 0 1 423.472 5.015 50 0 HKAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccccc1Br ZINC000015863840 569016272 /nfs/dbraw/zinc/01/62/72/569016272.db2.gz GANGPTJYPGGRRH-UHFFFAOYSA-N 0 1 420.310 5.363 50 0 HKAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccc(Br)cc1 ZINC000015863866 569016269 /nfs/dbraw/zinc/01/62/69/569016269.db2.gz MICOTUQBWAMFMD-UHFFFAOYSA-N 0 1 420.310 5.363 50 0 HKAAMN O=C(COc1ccc(Cl)cc1)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 ZINC000015863873 569016248 /nfs/dbraw/zinc/01/62/48/569016248.db2.gz BMROBWZMSUJMOW-UHFFFAOYSA-N 0 1 405.885 5.019 50 0 HKAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1cccc(Br)c1 ZINC000015863878 569016245 /nfs/dbraw/zinc/01/62/45/569016245.db2.gz DPRCUBDAQCJXKE-UHFFFAOYSA-N 0 1 420.310 5.363 50 0 HKAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1cc(-c2cccs2)[nH]n1 ZINC000015863886 569016295 /nfs/dbraw/zinc/01/62/95/569016295.db2.gz FDMVNRSUYUHQJA-UHFFFAOYSA-N 0 1 413.506 5.052 50 0 HKAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccccc1C(F)(F)F ZINC000015863897 569016385 /nfs/dbraw/zinc/01/63/85/569016385.db2.gz DEKBMLAVHMDDEE-UHFFFAOYSA-N 0 1 409.411 5.619 50 0 HKAAMN Cc1noc(C)c1[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866877 558759013 /nfs/dbraw/zinc/75/90/13/558759013.db2.gz ITOGMXDWRBGSOS-FQEVSTJZSA-N 0 1 404.539 5.543 50 0 HKAAMN Cc1noc(C)c1[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866878 558759105 /nfs/dbraw/zinc/75/91/05/558759105.db2.gz ITOGMXDWRBGSOS-HXUWFJFHSA-N 0 1 404.539 5.543 50 0 HKAAMN CCc1onc(C)c1[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866929 558759024 /nfs/dbraw/zinc/75/90/24/558759024.db2.gz SNBPSMYWEKWDSA-FQEVSTJZSA-N 0 1 418.566 5.797 50 0 HKAAMN CCc1onc(C)c1[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866930 558759071 /nfs/dbraw/zinc/75/90/71/558759071.db2.gz SNBPSMYWEKWDSA-HXUWFJFHSA-N 0 1 418.566 5.797 50 0 HKAAMN Cc1ccc2nc(CCc3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3)[nH]c2c1 ZINC000015870699 569017408 /nfs/dbraw/zinc/01/74/08/569017408.db2.gz SLUYKBQEKYMKLF-UHFFFAOYSA-N 0 1 419.550 5.074 50 0 HKAAMN CCc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000015870707 569017440 /nfs/dbraw/zinc/01/74/40/569017440.db2.gz MJZIQKUMEBUKMI-UHFFFAOYSA-N 0 1 419.550 5.020 50 0 HKAAMN CCc1ccccc1S(=O)(=O)Nc1ccc(CCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000015870721 569017450 /nfs/dbraw/zinc/01/74/50/569017450.db2.gz AZXKRYBYYMXGCF-UHFFFAOYSA-N 0 1 419.550 5.020 50 0 HKAAMN Cc1nc(SCC(=O)c2ccc(F)c(F)c2)[nH]c(=O)c1Oc1ccc(Cl)cc1 ZINC000015924096 558762147 /nfs/dbraw/zinc/76/21/47/558762147.db2.gz RSEGMMQFOLNAOS-UHFFFAOYSA-N 0 1 422.840 5.190 50 0 HKAAMN O=C1S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1c1ccccc1 ZINC000015938391 558763032 /nfs/dbraw/zinc/76/30/32/558763032.db2.gz SFMGKYUQWOKJDC-QPEQYQDCSA-N 0 1 410.676 5.049 50 0 HKAAMN COc1ccc([C@@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCCCC2)cc1 ZINC000015952786 558763950 /nfs/dbraw/zinc/76/39/50/558763950.db2.gz DMZGRAIMZVQKKA-JOCHJYFZSA-N 0 1 406.526 5.015 50 0 HKAAMN COc1ccc([C@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCCCC2)cc1 ZINC000015952787 558763971 /nfs/dbraw/zinc/76/39/71/558763971.db2.gz DMZGRAIMZVQKKA-QFIPXVFZSA-N 0 1 406.526 5.015 50 0 HKAAMN O=C(Nc1c2ccccc2oc1C(=O)c1ccccc1)c1cc(-c2ccccc2O)n[nH]1 ZINC000015974293 558764929 /nfs/dbraw/zinc/76/49/29/558764929.db2.gz CURFPPYRXGETPW-UHFFFAOYSA-N 0 1 423.428 5.012 50 0 HKAAMN Clc1ccc(COc2ccc(Cl)cc2CNCc2ccc3c(c2)OCO3)cc1 ZINC000016401819 558790150 /nfs/dbraw/zinc/79/01/50/558790150.db2.gz RFEKWLKLFDZUCO-UHFFFAOYSA-N 0 1 416.304 5.591 50 0 HKAAMN Clc1ccc(OCc2ccccc2Cl)c(CNCc2ccc3c(c2)OCO3)c1 ZINC000016450021 558792115 /nfs/dbraw/zinc/79/21/15/558792115.db2.gz BIWGSLJQUALZCW-UHFFFAOYSA-N 0 1 416.304 5.591 50 0 HKAAMN O=C(C[C@H](c1ccccc1)N1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000016477268 569053560 /nfs/dbraw/zinc/05/35/60/569053560.db2.gz ONQYTFMUKJJGAX-HSZRJFAPSA-N 0 1 420.350 5.822 50 0 HKAAMN O=C(C[C@@H](c1ccccc1)N1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000016477271 569053544 /nfs/dbraw/zinc/05/35/44/569053544.db2.gz ONQYTFMUKJJGAX-QHCPKHFHSA-N 0 1 420.350 5.822 50 0 HKAAMN Fc1ccc(COc2ccc3ccccc3c2CNCc2ccc3c(c2)OCO3)cc1 ZINC000016525985 558795428 /nfs/dbraw/zinc/79/54/28/558795428.db2.gz ZDXJWXAORSXUBU-UHFFFAOYSA-N 0 1 415.464 5.576 50 0 HKAAMN Fc1ccccc1COc1ccc2ccccc2c1CNCc1ccc2c(c1)OCO2 ZINC000016525991 558795448 /nfs/dbraw/zinc/79/54/48/558795448.db2.gz VXFCVDHFVQIYRN-UHFFFAOYSA-N 0 1 415.464 5.576 50 0 HKAAMN FC(F)(F)c1cccc(N2CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC000016662646 558798368 /nfs/dbraw/zinc/79/83/68/558798368.db2.gz PZRMNEDBQOIBLK-UHFFFAOYSA-N 0 1 420.862 5.941 50 0 HKAAMN FC(F)(F)c1cccc(N2CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)c1 ZINC000016662675 558798329 /nfs/dbraw/zinc/79/83/29/558798329.db2.gz SMLIBCBYTCCMDE-UHFFFAOYSA-N 0 1 420.862 5.941 50 0 HKAAMN Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016689798 569070532 /nfs/dbraw/zinc/07/05/32/569070532.db2.gz RWUUYEFLSSWUDM-FCEWJHQRSA-N 0 1 422.554 5.132 50 0 HKAAMN O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(Cl)cc1Cl ZINC000016780415 558806811 /nfs/dbraw/zinc/80/68/11/558806811.db2.gz NDBYUWHKFAEAJW-UHFFFAOYSA-N 0 1 418.305 5.109 50 0 HKAAMN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1C ZINC000016780621 558807000 /nfs/dbraw/zinc/80/70/00/558807000.db2.gz BLNMEKOZVZBGLA-UHFFFAOYSA-N 0 1 412.349 5.080 50 0 HKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 ZINC000017113401 569274967 /nfs/dbraw/zinc/27/49/67/569274967.db2.gz DQTGSJHYCDPSMZ-UHFFFAOYSA-N 0 1 423.563 5.637 50 0 HKAAMN CSc1nc(=O)c2sc3nc(-c4ccccc4)c4c(c3c2[nH]1)CC(C)(C)OC4 ZINC000017195764 560703482 /nfs/dbraw/zinc/70/34/82/560703482.db2.gz UIUVXIGPKILQDD-UHFFFAOYSA-N 0 1 409.536 5.185 50 0 HKAAMN Oc1ccccc1-c1nc2ccccc2c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000017196562 558825583 /nfs/dbraw/zinc/82/55/83/558825583.db2.gz WAZXFAOOFCVFHY-UHFFFAOYSA-N 0 1 405.457 6.538 50 0 HKAAMN COc1ccc(CNCc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)cc1 ZINC000017310346 560707838 /nfs/dbraw/zinc/70/78/38/560707838.db2.gz LCJNWILSOCVAOS-UHFFFAOYSA-N 0 1 404.341 5.153 50 0 HKAAMN Clc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)c(Cl)c1 ZINC000017310644 560707829 /nfs/dbraw/zinc/70/78/29/560707829.db2.gz URNHKSZKHOXHMQ-UHFFFAOYSA-N 0 1 423.347 5.590 50 0 HKAAMN COc1ccccc1CNCc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C ZINC000017310978 560707813 /nfs/dbraw/zinc/70/78/13/560707813.db2.gz FIOMTYDAGMZYKU-UHFFFAOYSA-N 0 1 404.341 5.153 50 0 HKAAMN O=C(Nc1cccc(CNCc2cccc(C(F)(F)F)c2)c1)c1ccccc1Cl ZINC000017311659 560708028 /nfs/dbraw/zinc/70/80/28/560708028.db2.gz WFLHEEJCEBQSPS-UHFFFAOYSA-N 0 1 418.846 5.901 50 0 HKAAMN COc1cccc(CNCc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c1 ZINC000017311933 560708072 /nfs/dbraw/zinc/70/80/72/560708072.db2.gz GAXHWUAEHDIWRR-UHFFFAOYSA-N 0 1 404.341 5.153 50 0 HKAAMN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CN[C@H](C)c1ccc(F)cc1 ZINC000017312223 560708018 /nfs/dbraw/zinc/70/80/18/560708018.db2.gz WOUKEILCSRFFKH-CYBMUJFWSA-N 0 1 406.332 5.845 50 0 HKAAMN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CN[C@@H](C)c1ccc(F)cc1 ZINC000017312225 560708092 /nfs/dbraw/zinc/70/80/92/560708092.db2.gz WOUKEILCSRFFKH-ZDUSSCGKSA-N 0 1 406.332 5.845 50 0 HKAAMN COc1ccccc1[C@@H](C)NCc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C ZINC000017314265 560708116 /nfs/dbraw/zinc/70/81/16/560708116.db2.gz UXOQTVJFZFOHQJ-CQSZACIVSA-N 0 1 418.368 5.714 50 0 HKAAMN COc1ccccc1[C@H](C)NCc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C ZINC000017314267 569284026 /nfs/dbraw/zinc/28/40/26/569284026.db2.gz UXOQTVJFZFOHQJ-AWEZNQCLSA-N 0 1 418.368 5.714 50 0 HKAAMN C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1Cl ZINC000017314510 560708159 /nfs/dbraw/zinc/70/81/59/560708159.db2.gz XBZKGDMQNCIWLS-GOSISDBHSA-N 0 1 402.929 5.498 50 0 HKAAMN C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1Cl ZINC000017314512 560708134 /nfs/dbraw/zinc/70/81/34/560708134.db2.gz XBZKGDMQNCIWLS-SFHVURJKSA-N 0 1 402.929 5.498 50 0 HKAAMN C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)c(F)c1 ZINC000017315410 560707573 /nfs/dbraw/zinc/70/75/73/560707573.db2.gz IRVMMIGFNOCRQN-CQSZACIVSA-N 0 1 400.856 5.721 50 0 HKAAMN C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)c(F)c1 ZINC000017315413 560707585 /nfs/dbraw/zinc/70/75/85/560707585.db2.gz IRVMMIGFNOCRQN-AWEZNQCLSA-N 0 1 400.856 5.721 50 0 HKAAMN O=c1[nH]c(CN2CCCC3(CCCCC3)C2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000018143529 558832089 /nfs/dbraw/zinc/83/20/89/558832089.db2.gz BIQCIZDAGMICNL-UHFFFAOYSA-N 0 1 417.597 5.351 50 0 HKAAMN Cc1ccc(C)c(-c2nc(-c3ccc(F)c(Br)c3)[nH]c2-c2ccccc2)c1 ZINC000018194325 560782195 /nfs/dbraw/zinc/78/21/95/560782195.db2.gz PLBXGSZDJDLOSY-UHFFFAOYSA-N 0 1 421.313 6.929 50 0 HKAAMN CCCC[NH+](CCCC)Cc1nc2c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000018207302 558833442 /nfs/dbraw/zinc/83/34/42/558833442.db2.gz NNSHJJMCCZEKNN-UHFFFAOYSA-N 0 1 407.602 5.597 50 0 HKAAMN Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000018284295 558835476 /nfs/dbraw/zinc/83/54/76/558835476.db2.gz KZYINWNZZFQRNT-UHFFFAOYSA-N 0 1 404.539 5.101 50 0 HKAAMN COc1ccccc1-c1nc(CN2CCC[C@@H](COc3ccc(C)cc3)C2)c(C)o1 ZINC000019112227 558841693 /nfs/dbraw/zinc/84/16/93/558841693.db2.gz NNOXLVJXBRNLDM-HXUWFJFHSA-N 0 1 406.526 5.258 50 0 HKAAMN COc1ccccc1-c1nc(CN2CCC[C@H](COc3ccc(C)cc3)C2)c(C)o1 ZINC000019112232 558841732 /nfs/dbraw/zinc/84/17/32/558841732.db2.gz NNOXLVJXBRNLDM-FQEVSTJZSA-N 0 1 406.526 5.258 50 0 HKAAMN COc1cccc(-c2nc(CN3CCC(CCc4ccccc4)CC3)c(C)o2)c1OC ZINC000019148826 558847107 /nfs/dbraw/zinc/84/71/07/558847107.db2.gz CGBSHOIGODNDGM-UHFFFAOYSA-N 0 1 420.553 5.512 50 0 HKAAMN COc1cccc(-c2nc(CN3CCC(Cc4ccccc4)CC3)c(C)o2)c1OC ZINC000019224860 558852649 /nfs/dbraw/zinc/85/26/49/558852649.db2.gz CHWHPDXFXKYRGS-UHFFFAOYSA-N 0 1 406.526 5.122 50 0 HKAAMN Clc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000019359475 558876079 /nfs/dbraw/zinc/87/60/79/558876079.db2.gz FIBDECRUKSXWBT-UHFFFAOYSA-N 0 1 411.376 5.901 50 0 HKAAMN Brc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019364760 558876696 /nfs/dbraw/zinc/87/66/96/558876696.db2.gz WJQFICLJQSPPAZ-UHFFFAOYSA-N 0 1 421.382 5.356 50 0 HKAAMN COc1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12 ZINC000019369737 558878226 /nfs/dbraw/zinc/87/82/26/558878226.db2.gz SGDAEIOMKHBTKX-UHFFFAOYSA-N 0 1 414.471 5.185 50 0 HKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccccc4F)CC3)ccc21 ZINC000019369747 558878220 /nfs/dbraw/zinc/87/82/20/558878220.db2.gz UUPXULFCKDLMNF-UHFFFAOYSA-N 0 1 401.529 5.271 50 0 aggregator HKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccccc4OC)CC3)ccc21 ZINC000019369751 558878108 /nfs/dbraw/zinc/87/81/08/558878108.db2.gz YWOLNMASMRVLAH-UHFFFAOYSA-N 0 1 413.565 5.141 50 0 HKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21 ZINC000019369770 558878202 /nfs/dbraw/zinc/87/82/02/558878202.db2.gz IBSZVGQVYFLRLG-UHFFFAOYSA-N 0 1 417.984 5.786 50 0 HKAAMN CSCCN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019370923 558878995 /nfs/dbraw/zinc/87/89/95/558878995.db2.gz OQIBCVFIRXSUFA-IBGZPJMESA-N 0 1 405.032 5.069 50 0 HKAAMN CSCCN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019370925 558879017 /nfs/dbraw/zinc/87/90/17/558879017.db2.gz OQIBCVFIRXSUFA-LJQANCHMSA-N 0 1 405.032 5.069 50 0 HKAAMN CCn1c2ccccc2c2cc(CN3CCN(C/C=C/c4ccccc4)CC3)ccc21 ZINC000019536564 569422587 /nfs/dbraw/zinc/42/25/87/569422587.db2.gz HPSARTYEDBFIGM-DHZHZOJOSA-N 0 1 409.577 5.645 50 0 HKAAMN CCOc1ccc(-c2nc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)cc1 ZINC000019537090 558914044 /nfs/dbraw/zinc/91/40/44/558914044.db2.gz KDHGMXXWJSRKMV-LJQANCHMSA-N 0 1 417.509 5.570 50 0 HKAAMN CCOc1ccc(-c2nc(CN3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)cc1 ZINC000019537093 558913946 /nfs/dbraw/zinc/91/39/46/558913946.db2.gz KDHGMXXWJSRKMV-IBGZPJMESA-N 0 1 417.509 5.570 50 0 HKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4cccc(F)c4)CC3)ccc21 ZINC000019624668 558947084 /nfs/dbraw/zinc/94/70/84/558947084.db2.gz KZFMPFNYDIVNAB-UHFFFAOYSA-N 0 1 401.529 5.271 50 0 HKAAMN COc1ccc2ccccc2c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019633050 558947277 /nfs/dbraw/zinc/94/72/77/558947277.db2.gz TWZACMGQDJQLNG-UHFFFAOYSA-N 0 1 400.444 5.189 50 0 HKAAMN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(OCc2ccccn2)CC1 ZINC000019721027 558259333 /nfs/dbraw/zinc/25/93/33/558259333.db2.gz FTIZRWNECVCBAE-UHFFFAOYSA-N 0 1 413.521 5.379 50 0 HKAAMN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cc(C)ccc1C)CC2 ZINC000019732585 558259748 /nfs/dbraw/zinc/25/97/48/558259748.db2.gz KVDLACVFYYGXHT-SANMLTNESA-N 0 1 421.968 6.122 50 0 HKAAMN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cc(C)ccc1C)CC2 ZINC000019732587 558259805 /nfs/dbraw/zinc/25/98/05/558259805.db2.gz KVDLACVFYYGXHT-AREMUKBSSA-N 0 1 421.968 6.122 50 0 HKAAMN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(CCN2CCCC2=O)CC1 ZINC000019745152 558265757 /nfs/dbraw/zinc/26/57/57/558265757.db2.gz LTYBIBVUZRZAPD-UHFFFAOYSA-N 0 1 417.553 5.028 50 0 HKAAMN O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCCN(Cc2cccs2)CC1 ZINC000019771244 558279685 /nfs/dbraw/zinc/27/96/85/558279685.db2.gz UDNQHCSFKSUUNU-UHFFFAOYSA-N 0 1 423.582 5.285 50 0 HKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc(OC)cc4)CC3)ccc21 ZINC000019781647 558281138 /nfs/dbraw/zinc/28/11/38/558281138.db2.gz RFBYCZYOLAFFQF-UHFFFAOYSA-N 0 1 413.565 5.141 50 0 HKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4cccc(OC)c4)CC3)ccc21 ZINC000019781789 558281161 /nfs/dbraw/zinc/28/11/61/558281161.db2.gz INVFWSFUAASLHX-UHFFFAOYSA-N 0 1 413.565 5.141 50 0 HKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4cccc(Cl)c4)CC3)ccc21 ZINC000019781859 558281422 /nfs/dbraw/zinc/28/14/22/558281422.db2.gz QOXKOMSNSRONAG-UHFFFAOYSA-N 0 1 417.984 5.786 50 0 HKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc(F)cc4)CC3)ccc21 ZINC000019781949 558281383 /nfs/dbraw/zinc/28/13/83/558281383.db2.gz XXVUTQWGZFVLKZ-UHFFFAOYSA-N 0 1 401.529 5.271 50 0 HKAAMN Cc1cc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3C)CC2)c2ccccc2n1 ZINC000019782122 558281347 /nfs/dbraw/zinc/28/13/47/558281347.db2.gz VIFSFWREXUCNJO-UHFFFAOYSA-N 0 1 410.521 5.262 50 0 HKAAMN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccccc2F)cc1 ZINC000019782346 558281630 /nfs/dbraw/zinc/28/16/30/558281630.db2.gz ZXAOELJTOKHATB-UHFFFAOYSA-N 0 1 407.485 5.198 50 0 HKAAMN COc1ccc(-n2ncc([C@@H](C)NCc3cnc(-c4ccccc4)s3)c2C)cc1 ZINC000019792492 558283448 /nfs/dbraw/zinc/28/34/48/558283448.db2.gz AQWLJJMXHYVPMD-MRXNPFEDSA-N 0 1 404.539 5.164 50 0 HKAAMN COc1ccc(-n2ncc([C@H](C)NCc3cnc(-c4ccccc4)s3)c2C)cc1 ZINC000019792493 523352079 /nfs/dbraw/zinc/35/20/79/523352079.db2.gz AQWLJJMXHYVPMD-INIZCTEOSA-N 0 1 404.539 5.164 50 0 HKAAMN C[C@H](c1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl)N1CCN(C)CC1 ZINC000019802186 558285830 /nfs/dbraw/zinc/28/58/30/558285830.db2.gz LBZVALDPKCKVAO-CYBMUJFWSA-N 0 1 415.817 6.106 50 0 HKAAMN C[C@@H](c1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl)N1CCN(C)CC1 ZINC000019802189 558285914 /nfs/dbraw/zinc/28/59/14/558285914.db2.gz LBZVALDPKCKVAO-ZDUSSCGKSA-N 0 1 415.817 6.106 50 0 HKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 ZINC000019841277 558294116 /nfs/dbraw/zinc/29/41/16/558294116.db2.gz CAZCKDVLYUGUMO-UHFFFAOYSA-N 0 1 417.984 5.786 50 0 HKAAMN c1sc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1-c1ccccc1 ZINC000019867127 558299102 /nfs/dbraw/zinc/29/91/02/558299102.db2.gz VEBZUBFANXMZRI-UHFFFAOYSA-N 0 1 411.574 5.722 50 0 HKAAMN O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019880176 558300470 /nfs/dbraw/zinc/30/04/70/558300470.db2.gz HYQAGGXMGFDKAK-UHFFFAOYSA-N 0 1 420.556 5.316 50 0 HKAAMN Cc1ccc2nc(S[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000019926645 558307817 /nfs/dbraw/zinc/30/78/17/558307817.db2.gz PZZGJVUIPLJPNP-OAQYLSRUSA-N 0 1 405.498 5.160 50 0 HKAAMN Cc1ccc2nc(S[C@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000019926648 558307919 /nfs/dbraw/zinc/30/79/19/558307919.db2.gz PZZGJVUIPLJPNP-NRFANRHFSA-N 0 1 405.498 5.160 50 0 HKAAMN CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020108171 568588321 /nfs/dbraw/zinc/58/83/21/568588321.db2.gz VLJJAAOUTZFFRD-QZTZHPFYSA-N 0 1 408.542 5.196 50 0 HKAAMN CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020108173 568588349 /nfs/dbraw/zinc/58/83/49/568588349.db2.gz VLJJAAOUTZFFRD-NXMSCROESA-N 0 1 408.542 5.196 50 0 HKAAMN O=c1c2c3c(sc2[n-]c(=S)n1C1CCCCC1)C[N@H+](Cc1ccccc1)CC3 ZINC000020158691 558342359 /nfs/dbraw/zinc/34/23/59/558342359.db2.gz DPLKFYAMDWWOHS-UHFFFAOYSA-N 0 1 411.596 5.184 50 0 HKAAMN O=c1c2c3c(sc2[n-]c(=S)n1C1CCCCC1)C[N@@H+](Cc1ccccc1)CC3 ZINC000020158691 558342361 /nfs/dbraw/zinc/34/23/61/558342361.db2.gz DPLKFYAMDWWOHS-UHFFFAOYSA-N 0 1 411.596 5.184 50 0 HKAAMN CCc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)Nc3nccs3)[nH]2)cc1 ZINC000020182345 568593226 /nfs/dbraw/zinc/59/32/26/568593226.db2.gz VXQBGOGSBNTWHO-UHFFFAOYSA-N 0 1 420.563 5.493 50 0 HKAAMN Cc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(C)cc3)[nH]2)cc1 ZINC000020182361 568593293 /nfs/dbraw/zinc/59/32/93/568593293.db2.gz BKXQWIVMODVEAJ-UHFFFAOYSA-N 0 1 420.563 5.548 50 0 HKAAMN Cc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)Nc2nccs2)cc1 ZINC000020182365 568593178 /nfs/dbraw/zinc/59/31/78/568593178.db2.gz BBYWMULHRAZMTH-UHFFFAOYSA-N 0 1 424.526 5.379 50 0 HKAAMN O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccc(F)cc1)Nc1ccccc1 ZINC000020182426 568593269 /nfs/dbraw/zinc/59/32/69/568593269.db2.gz MMSATYJXQQOEKU-UHFFFAOYSA-N 0 1 403.482 5.614 50 0 HKAAMN O=C(c1sccc1Cl)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 ZINC000020203305 558346000 /nfs/dbraw/zinc/34/60/00/558346000.db2.gz XHJUEVBPHZDBDG-GFCCVEGCSA-N 0 1 407.873 5.090 50 0 HKAAMN O=C(c1sccc1Cl)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 ZINC000020203308 558346117 /nfs/dbraw/zinc/34/61/17/558346117.db2.gz XHJUEVBPHZDBDG-LBPRGKRZSA-N 0 1 407.873 5.090 50 0 HKAAMN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(OCc2cccnc2)CC1 ZINC000020210003 558347530 /nfs/dbraw/zinc/34/75/30/558347530.db2.gz CGOWRLHDNWZTEC-UHFFFAOYSA-N 0 1 413.521 5.379 50 0 HKAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000020240762 526741220 /nfs/dbraw/zinc/74/12/20/526741220.db2.gz NZMPXAVHVSKSSI-LYHRCORUSA-N 0 1 423.601 5.111 50 0 HKAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000020240764 568595837 /nfs/dbraw/zinc/59/58/37/568595837.db2.gz NZMPXAVHVSKSSI-GEQKSPFYSA-N 0 1 423.601 5.111 50 0 HKAAMN Cc1ccc2nc(Cl)c3cc(C(=O)NCCN4CCCC[C@H]4C)sc3c2c1 ZINC000020321564 568598729 /nfs/dbraw/zinc/59/87/29/568598729.db2.gz UYSILJWRFSNIAA-CQSZACIVSA-N 0 1 401.963 5.016 50 0 HKAAMN Cc1ccc2nc(Cl)c3cc(C(=O)NCCN4CCCC[C@@H]4C)sc3c2c1 ZINC000020321570 568598896 /nfs/dbraw/zinc/59/88/96/568598896.db2.gz UYSILJWRFSNIAA-AWEZNQCLSA-N 0 1 401.963 5.016 50 0 HKAAMN CCOc1ccc2nc(Nc3ncnc4onc(-c5ccc(Cl)cc5)c43)sc2c1 ZINC000020330007 568599018 /nfs/dbraw/zinc/59/90/18/568599018.db2.gz XISQGGMGYCUGBG-UHFFFAOYSA-N 0 1 423.885 5.690 50 0 HKAAMN Cc1ccc2nc(Sc3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)[nH]c2c1 ZINC000020353864 558357211 /nfs/dbraw/zinc/35/72/11/558357211.db2.gz SDJVFOHMTYRHKK-UHFFFAOYSA-N 0 1 417.921 6.184 50 0 HKAAMN Cc1ccc2nc(-c3ccccc3)c(CN3CCN(c4cccc(Cl)c4)CC3)n2c1 ZINC000020366669 568601321 /nfs/dbraw/zinc/60/13/21/568601321.db2.gz RAYGZJINLPCYEI-UHFFFAOYSA-N 0 1 416.956 5.285 50 0 HKAAMN C[C@@H]1[C@@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000020388376 568604049 /nfs/dbraw/zinc/60/40/49/568604049.db2.gz ONLWOWZCJPRUQU-CXAHNHKCSA-N 0 1 401.506 5.541 50 0 HKAAMN C[C@H]1[C@@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000020388383 525092325 /nfs/dbraw/zinc/09/23/25/525092325.db2.gz ONLWOWZCJPRUQU-CQEOPILBSA-N 0 1 401.506 5.541 50 0 HKAAMN C[C@H]1[C@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000020388394 558359141 /nfs/dbraw/zinc/35/91/41/558359141.db2.gz ONLWOWZCJPRUQU-RBWOYHBQSA-N 0 1 401.506 5.541 50 0 HKAAMN Cc1ccc2c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000020412445 568605559 /nfs/dbraw/zinc/60/55/59/568605559.db2.gz FOFGTZXGVUBESO-UHFFFAOYSA-N 0 1 424.544 5.009 50 0 HKAAMN CCCCCC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020440928 568607557 /nfs/dbraw/zinc/60/75/57/568607557.db2.gz QZUFSPZAWBUSIV-SVBPBHIXSA-N 0 1 409.614 5.523 50 0 HKAAMN CCCCCC[C@@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020440932 568607636 /nfs/dbraw/zinc/60/76/36/568607636.db2.gz QZUFSPZAWBUSIV-RRPNLBNLSA-N 0 1 409.614 5.523 50 0 HKAAMN CCCCCC[C@](O)(c1ccc(CC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000020440936 568607538 /nfs/dbraw/zinc/60/75/38/568607538.db2.gz QZUFSPZAWBUSIV-SXOMAYOGSA-N 0 1 409.614 5.523 50 0 HKAAMN CCCCCC[C@@](O)(c1ccc(CC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000020440940 520121987 /nfs/dbraw/zinc/12/19/87/520121987.db2.gz QZUFSPZAWBUSIV-KAYWLYCHSA-N 0 1 409.614 5.523 50 0 HKAAMN CCCC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447346 521256183 /nfs/dbraw/zinc/25/61/83/521256183.db2.gz FKUGFLZNMISZBE-DQEYMECFSA-N 0 1 416.005 5.396 50 0 HKAAMN CCCC[C@@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447349 568608575 /nfs/dbraw/zinc/60/85/75/568608575.db2.gz FKUGFLZNMISZBE-LOSJGSFVSA-N 0 1 416.005 5.396 50 0 HKAAMN CCCC[C@](O)(c1ccc(CC)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447353 568608462 /nfs/dbraw/zinc/60/84/62/568608462.db2.gz FKUGFLZNMISZBE-RPBOFIJWSA-N 0 1 416.005 5.396 50 0 HKAAMN CCCC[C@@](O)(c1ccc(CC)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447356 568608474 /nfs/dbraw/zinc/60/84/74/568608474.db2.gz FKUGFLZNMISZBE-JWQCQUIFSA-N 0 1 416.005 5.396 50 0 HKAAMN Fc1ccccc1-n1ncc2c1CCC[C@@H]2NCc1cnc(-c2ccccc2)s1 ZINC000020449621 558364788 /nfs/dbraw/zinc/36/47/88/558364788.db2.gz JOLXZLRFZARRDP-FQEVSTJZSA-N 0 1 404.514 5.302 50 0 HKAAMN Fc1ccccc1-n1ncc2c1CCC[C@H]2NCc1cnc(-c2ccccc2)s1 ZINC000020449623 558364846 /nfs/dbraw/zinc/36/48/46/558364846.db2.gz JOLXZLRFZARRDP-HXUWFJFHSA-N 0 1 404.514 5.302 50 0 HKAAMN CCc1ccc(CNCc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)nc1 ZINC000020454103 558368062 /nfs/dbraw/zinc/36/80/62/558368062.db2.gz PFNFTXAXKKWMGW-UHFFFAOYSA-N 0 1 400.501 5.234 50 0 HKAAMN CCc1ccc([C@](O)([C@@H](CN2CCOCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000020463008 568609877 /nfs/dbraw/zinc/60/98/77/568609877.db2.gz MBOCKRYKCNJCRC-SVBPBHIXSA-N 0 1 407.598 5.133 50 0 HKAAMN CCc1ccc([C@@](O)([C@@H](CN2CCOCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000020463013 568609881 /nfs/dbraw/zinc/60/98/81/568609881.db2.gz MBOCKRYKCNJCRC-RRPNLBNLSA-N 0 1 407.598 5.133 50 0 HKAAMN CCc1ccc([C@](O)([C@H](CN2CCOCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000020463017 568610003 /nfs/dbraw/zinc/61/00/03/568610003.db2.gz MBOCKRYKCNJCRC-SXOMAYOGSA-N 0 1 407.598 5.133 50 0 HKAAMN CCc1ccc([C@@](O)([C@H](CN2CCOCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000020463020 568609862 /nfs/dbraw/zinc/60/98/62/568609862.db2.gz MBOCKRYKCNJCRC-KAYWLYCHSA-N 0 1 407.598 5.133 50 0 HKAAMN Cc1ccc2oc(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020502282 568619547 /nfs/dbraw/zinc/61/95/47/568619547.db2.gz AWNDKLRWLGSAFE-UHFFFAOYSA-N 0 1 424.544 5.009 50 0 HKAAMN CCOc1cc2c(cc1OCC)[C@H](c1ccc(F)c(Oc3ccccc3)c1)NCC2 ZINC000020506926 558381794 /nfs/dbraw/zinc/38/17/94/558381794.db2.gz LDMXEAMEMHPUAB-VWLOTQADSA-N 0 1 407.485 5.651 50 0 HKAAMN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(F)c(Oc3ccccc3)c1)NCC2 ZINC000020506928 558381611 /nfs/dbraw/zinc/38/16/11/558381611.db2.gz LDMXEAMEMHPUAB-RUZDIDTESA-N 0 1 407.485 5.651 50 0 HKAAMN Cc1scc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1-c1ccc(C)cc1 ZINC000020514456 568622331 /nfs/dbraw/zinc/62/23/31/568622331.db2.gz KEUOWIXOZBRCDR-UHFFFAOYSA-N 0 1 420.578 5.078 50 0 HKAAMN CCOc1ccc(-c2nc(CN3CCCN(c4ccccc4C)CC3)c(C)o2)cc1 ZINC000020539159 520815930 /nfs/dbraw/zinc/81/59/30/520815930.db2.gz YAKKHZVVJWGXNH-UHFFFAOYSA-N 0 1 405.542 5.069 50 0 HKAAMN O=C(Nc1cccc(Cl)c1Cl)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000020568102 527346818 /nfs/dbraw/zinc/34/68/18/527346818.db2.gz TTXCPGKFJCTIOF-UHFFFAOYSA-N 0 1 421.305 5.047 50 0 HKAAMN CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000020594952 521362474 /nfs/dbraw/zinc/36/24/74/521362474.db2.gz VAVIQAWQZSJDQG-UHFFFAOYSA-N 0 1 410.606 5.731 50 0 HKAAMN CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000020594972 521362153 /nfs/dbraw/zinc/36/21/53/521362153.db2.gz FTBZDMOLGIWTEB-UHFFFAOYSA-N 0 1 418.585 5.773 50 0 HKAAMN CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000020594978 521362069 /nfs/dbraw/zinc/36/20/69/521362069.db2.gz KLQPWONEPSYMQW-UHFFFAOYSA-N 0 1 418.585 5.773 50 0 HKAAMN CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000020594982 521361002 /nfs/dbraw/zinc/36/10/02/521361002.db2.gz AQOGQDSBZISJJU-UHFFFAOYSA-N 0 1 404.558 5.465 50 0 HKAAMN CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000020594984 521362116 /nfs/dbraw/zinc/36/21/16/521362116.db2.gz WHVXEIKRBHEQHB-UHFFFAOYSA-N 0 1 418.585 5.773 50 0 HKAAMN CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000020594992 521362048 /nfs/dbraw/zinc/36/20/48/521362048.db2.gz BOMSCYSHGSIEAW-UHFFFAOYSA-N 0 1 410.587 5.526 50 0 HKAAMN Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000020599607 526728596 /nfs/dbraw/zinc/72/85/96/526728596.db2.gz FWEYLYYRRVKQTH-OAHLLOKOSA-N 0 1 409.436 5.449 50 0 HKAAMN Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000020599608 526728846 /nfs/dbraw/zinc/72/88/46/526728846.db2.gz FWEYLYYRRVKQTH-HNNXBMFYSA-N 0 1 409.436 5.449 50 0 HKAAMN Fc1ccc(-c2n[nH]c(=S)n2-c2cccc3ncccc32)cc1Br ZINC000020721879 558403128 /nfs/dbraw/zinc/40/31/28/558403128.db2.gz HFBFAFQWGOSZQZ-UHFFFAOYSA-N 0 1 401.264 5.047 50 0 HKAAMN COc1ccc([C@@H]2CCC[N@H+]2[C@@H](C(=O)[O-])c2c[nH]c3ccccc32)c2ccccc12 ZINC000020732895 558407039 /nfs/dbraw/zinc/40/70/39/558407039.db2.gz GOWTWRWLJRTLTD-LADGPHEKSA-N 0 1 400.478 5.293 50 0 HKAAMN COc1ccc([C@H]2CCC[N@H+]2[C@@H](C(=O)[O-])c2c[nH]c3ccccc32)c2ccccc12 ZINC000020732899 558407096 /nfs/dbraw/zinc/40/70/96/558407096.db2.gz GOWTWRWLJRTLTD-ISKFKSNPSA-N 0 1 400.478 5.293 50 0 HKAAMN Cc1ccc2nc(Sc3c(=O)[nH]c4cc(Cl)ccc4c3-c3ccccc3)[nH]c2c1 ZINC000020808325 568644311 /nfs/dbraw/zinc/64/43/11/568644311.db2.gz PMYMLHOMVLLUAH-UHFFFAOYSA-N 0 1 417.921 6.184 50 0 HKAAMN O=C(CSc1[nH]c(-c2cccc(Cl)c2)nc1-c1ccccc1)NCc1ccco1 ZINC000020854890 568645429 /nfs/dbraw/zinc/64/54/29/568645429.db2.gz NMDOXZGAGWYBKQ-UHFFFAOYSA-N 0 1 423.925 5.399 50 0 HKAAMN Cc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1 ZINC000020868140 558418153 /nfs/dbraw/zinc/41/81/53/558418153.db2.gz COAKSLPODVJFJI-DEOSSOPVSA-N 0 1 413.477 5.046 50 0 HKAAMN Cc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1 ZINC000020868143 558418131 /nfs/dbraw/zinc/41/81/31/558418131.db2.gz COAKSLPODVJFJI-XMMPIXPASA-N 0 1 413.477 5.046 50 0 HKAAMN CCC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868634 568647275 /nfs/dbraw/zinc/64/72/75/568647275.db2.gz YDUPEQQCLPGGEM-ZEQRLZLVSA-N 0 1 401.978 5.006 50 0 HKAAMN CCC[C@@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868637 568647236 /nfs/dbraw/zinc/64/72/36/568647236.db2.gz YDUPEQQCLPGGEM-BJKOFHAPSA-N 0 1 401.978 5.006 50 0 HKAAMN CCC[C@](O)(c1ccc(CC)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868641 568647157 /nfs/dbraw/zinc/64/71/57/568647157.db2.gz YDUPEQQCLPGGEM-RPWUZVMVSA-N 0 1 401.978 5.006 50 0 HKAAMN CCC[C@@](O)(c1ccc(CC)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868645 568647143 /nfs/dbraw/zinc/64/71/43/568647143.db2.gz YDUPEQQCLPGGEM-DNQXCXABSA-N 0 1 401.978 5.006 50 0 HKAAMN Clc1cc(Br)ccc1-c1ccc(CNCc2ccc3c(c2)OCO3)o1 ZINC000020875654 558419213 /nfs/dbraw/zinc/41/92/13/558419213.db2.gz GAGHTLBHXHZSFO-UHFFFAOYSA-N 0 1 420.690 5.381 50 0 HKAAMN Clc1ccc(COc2ccc(CNCc3cccnc3)cc2Br)cc1 ZINC000020876435 558419372 /nfs/dbraw/zinc/41/93/72/558419372.db2.gz ATKSTJDEASRUTA-UHFFFAOYSA-N 0 1 417.734 5.366 50 0 HKAAMN CSc1cccc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000020889557 568647798 /nfs/dbraw/zinc/64/77/98/568647798.db2.gz DQWJHUIVLKNIOH-UHFFFAOYSA-N 0 1 403.979 5.096 50 0 HKAAMN CSc1cccc(NC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000020889575 568647678 /nfs/dbraw/zinc/64/76/78/568647678.db2.gz HAZLCYPUIPNMOL-UHFFFAOYSA-N 0 1 403.979 5.096 50 0 HKAAMN CSc1cccc(NC(=O)NCC2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000020889621 568647612 /nfs/dbraw/zinc/64/76/12/568647612.db2.gz LXXSFTOXPYKTPJ-UHFFFAOYSA-N 0 1 403.979 5.096 50 0 HKAAMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1cccc2c1CCCC2 ZINC000020890010 568647607 /nfs/dbraw/zinc/64/76/07/568647607.db2.gz LSZKRPTXAHWCCS-UHFFFAOYSA-N 0 1 411.977 5.253 50 0 HKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000020908937 558421806 /nfs/dbraw/zinc/42/18/06/558421806.db2.gz LZOPBXHPYWINKI-QGZVFWFLSA-N 0 1 407.901 5.824 50 0 HKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000020908940 558421660 /nfs/dbraw/zinc/42/16/60/558421660.db2.gz LZOPBXHPYWINKI-KRWDZBQOSA-N 0 1 407.901 5.824 50 0 HKAAMN Cc1ccc(-c2cc(-c3ccccc3)nc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000021151066 568672409 /nfs/dbraw/zinc/67/24/09/568672409.db2.gz NCHQIRBYPVNZPI-UHFFFAOYSA-N 0 1 415.518 5.228 50 0 HKAAMN Cc1ccc(-c2cc(-c3ccccc3)nc(NS(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000021151070 568672265 /nfs/dbraw/zinc/67/22/65/568672265.db2.gz IBVCIICMQKCVRT-UHFFFAOYSA-N 0 1 419.481 5.059 50 0 HKAAMN CC(=O)N1N=C(c2cc(-c3cccc4ccccc43)n[nH]2)O[C@@H]1/C(C)=C/c1ccccc1 ZINC000021151754 568672582 /nfs/dbraw/zinc/67/25/82/568672582.db2.gz JGAKORBJYIJNOU-OFOQCOESSA-N 0 1 422.488 5.200 50 0 HKAAMN CC(=O)N1N=C(c2cc(-c3cccc4ccccc43)n[nH]2)O[C@H]1/C(C)=C/c1ccccc1 ZINC000021151758 568672444 /nfs/dbraw/zinc/67/24/44/568672444.db2.gz JGAKORBJYIJNOU-DSDNZOFKSA-N 0 1 422.488 5.200 50 0 HKAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)Nc1cccc2c1CCCC2 ZINC000021174896 568677060 /nfs/dbraw/zinc/67/70/60/568677060.db2.gz HXGCROWVNXGPSO-UHFFFAOYSA-N 0 1 411.977 5.253 50 0 HKAAMN CC(C)c1n[nH]c(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)n1 ZINC000021178830 568677611 /nfs/dbraw/zinc/67/76/11/568677611.db2.gz WMOPNHUHWSYOJP-UHFFFAOYSA-N 0 1 409.559 5.205 50 0 HKAAMN CC(C)c1nc(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)n[nH]1 ZINC000021178830 568677613 /nfs/dbraw/zinc/67/76/13/568677613.db2.gz WMOPNHUHWSYOJP-UHFFFAOYSA-N 0 1 409.559 5.205 50 0 HKAAMN CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@@H](C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000021297675 558435114 /nfs/dbraw/zinc/43/51/14/558435114.db2.gz SNPBHOICIJUUFB-XZOQPEGZSA-N 0 1 417.480 5.272 50 0 in-vitro HKAAMN CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000021297683 558435191 /nfs/dbraw/zinc/43/51/91/558435191.db2.gz SNPBHOICIJUUFB-DHIUTWEWSA-N 0 1 417.480 5.272 50 0 in-vitro HKAAMN CC(C)C(=O)[C@@H](C(=O)Nc1ccccc1)[C@H](C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000021297688 558435027 /nfs/dbraw/zinc/43/50/27/558435027.db2.gz SNPBHOICIJUUFB-PKTZIBPZSA-N 0 1 417.480 5.272 50 0 in-vitro HKAAMN Cc1ccccc1CSc1nnc(NC(=O)c2cc(-c3cccs3)on2)s1 ZINC000021524199 558440121 /nfs/dbraw/zinc/44/01/21/558440121.db2.gz XHYHCNITQSLMKO-UHFFFAOYSA-N 0 1 414.537 5.108 50 0 HKAAMN Cc1cccc(CSc2nnc(NC(=O)c3cc(-c4cccs4)on3)s2)c1 ZINC000021524202 558440286 /nfs/dbraw/zinc/44/02/86/558440286.db2.gz XKUNDMHMLAFELH-UHFFFAOYSA-N 0 1 414.537 5.108 50 0 HKAAMN Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4cccs4)on3)s2)cc1 ZINC000021524204 558440270 /nfs/dbraw/zinc/44/02/70/558440270.db2.gz RQISDJWKKHQGQB-UHFFFAOYSA-N 0 1 414.537 5.108 50 0 HKAAMN Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCC(C)CC2)o1 ZINC000021659822 558444973 /nfs/dbraw/zinc/44/49/73/558444973.db2.gz MDHKAMBEFPDWCR-NRFANRHFSA-N 0 1 408.542 5.462 50 0 HKAAMN Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCC(C)CC2)o1 ZINC000021659824 558444921 /nfs/dbraw/zinc/44/49/21/558444921.db2.gz MDHKAMBEFPDWCR-OAQYLSRUSA-N 0 1 408.542 5.462 50 0 HKAAMN CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C)o3)N3CCC(C)CC3)c(C)c2c1 ZINC000021659830 558444885 /nfs/dbraw/zinc/44/48/85/558444885.db2.gz IHWDNVFTLTWDJR-OAQYLSRUSA-N 0 1 408.542 5.408 50 0 HKAAMN CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCC(C)CC3)c(C)c2c1 ZINC000021659832 558444901 /nfs/dbraw/zinc/44/49/01/558444901.db2.gz IHWDNVFTLTWDJR-NRFANRHFSA-N 0 1 408.542 5.408 50 0 HKAAMN Cc1ccc([C@H](CNC(=O)c2oc3c(ccc(C)c3C)c2C)N2CCC(C)CC2)o1 ZINC000021659838 558444907 /nfs/dbraw/zinc/44/49/07/558444907.db2.gz LBWVGLODZKNUSY-NRFANRHFSA-N 0 1 408.542 5.462 50 0 HKAAMN Cc1ccc([C@@H](CNC(=O)c2oc3c(ccc(C)c3C)c2C)N2CCC(C)CC2)o1 ZINC000021659840 558444968 /nfs/dbraw/zinc/44/49/68/558444968.db2.gz LBWVGLODZKNUSY-OAQYLSRUSA-N 0 1 408.542 5.462 50 0 HKAAMN CCOc1ccccc1NC(=O)Nc1ccc(CCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000021704930 568743422 /nfs/dbraw/zinc/74/34/22/568743422.db2.gz XHXJCVWIAPRWCW-UHFFFAOYSA-N 0 1 414.509 5.699 50 0 HKAAMN COc1ccc(N=C2C[C@@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000021775448 568752326 /nfs/dbraw/zinc/75/23/26/568752326.db2.gz OEKDYECETQFWRX-DEOSSOPVSA-N 0 1 400.478 5.096 50 0 HKAAMN COc1ccc(N=C2C[C@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000021775453 568752318 /nfs/dbraw/zinc/75/23/18/568752318.db2.gz OEKDYECETQFWRX-XMMPIXPASA-N 0 1 400.478 5.096 50 0 HKAAMN CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCC2)cc1 ZINC000021805326 558450278 /nfs/dbraw/zinc/45/02/78/558450278.db2.gz MQQGCJCLLWDTJZ-HXUWFJFHSA-N 0 1 423.582 5.268 50 0 HKAAMN CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCC2)cc1 ZINC000021805329 558450321 /nfs/dbraw/zinc/45/03/21/558450321.db2.gz MQQGCJCLLWDTJZ-FQEVSTJZSA-N 0 1 423.582 5.268 50 0 HKAAMN CCOC(=O)C1CCN(Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)CC1 ZINC000022077643 558778985 /nfs/dbraw/zinc/77/89/85/558778985.db2.gz IWPNSCDAVHCRRA-UHFFFAOYSA-N 0 1 407.510 5.192 50 0 HKAAMN CCOc1cc(CN2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)ccc1OC ZINC000022078041 558778963 /nfs/dbraw/zinc/77/89/63/558778963.db2.gz OSNAEXFOGUNGFO-QHCPKHFHSA-N 0 1 404.554 5.640 50 0 HKAAMN Clc1ccc(-c2cc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)on2)cc1 ZINC000022312946 558477660 /nfs/dbraw/zinc/47/76/60/558477660.db2.gz YLHBNCDQFVOWOW-UHFFFAOYSA-N 0 1 403.294 5.726 50 0 HKAAMN Fc1ccc(C(c2ccc(F)cc2)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454878 558490229 /nfs/dbraw/zinc/49/02/29/558490229.db2.gz QXJYXZFEVBWHJO-UHFFFAOYSA-N 0 1 417.503 5.353 50 0 HKAAMN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(Cl)c1 ZINC000022514275 568769098 /nfs/dbraw/zinc/76/90/98/568769098.db2.gz DHKGRYQHFOUKHG-UHFFFAOYSA-N 0 1 415.902 5.093 50 0 HKAAMN CC(C)(C)c1ccc(CC2CCN(Cc3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC000022623310 568772162 /nfs/dbraw/zinc/77/21/62/568772162.db2.gz QZRRLIZJFUJSBJ-UHFFFAOYSA-N 0 1 407.495 6.597 50 0 HKAAMN CC(=O)Nc1ccc(CC2CCN(Cc3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC000022624012 557015878 /nfs/dbraw/zinc/01/58/78/557015878.db2.gz QFAFIKBWQJWYRH-UHFFFAOYSA-N 0 1 408.439 5.258 50 0 HKAAMN Brc1ccccc1CN1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000022670256 557735900 /nfs/dbraw/zinc/73/59/00/557735900.db2.gz WAFCJTROMWBUFW-UHFFFAOYSA-N 0 1 420.394 6.571 50 0 HKAAMN Fc1ccc(CN2CCC(Cc3ccc(-n4cccc4)cc3)CC2)cc1C(F)(F)F ZINC000022673634 557736815 /nfs/dbraw/zinc/73/68/15/557736815.db2.gz UHXYCKQAYDXWMW-UHFFFAOYSA-N 0 1 416.462 6.090 50 0 HKAAMN Clc1ccc(-c2cc(CSc3n[nH]c(CC4CCCC4)n3)on2)c(Cl)c1 ZINC000022748449 558507340 /nfs/dbraw/zinc/50/73/40/558507340.db2.gz GOYMRLKVBJZRLK-UHFFFAOYSA-N 0 1 409.342 5.792 50 0 HKAAMN Clc1ccc(-c2cc(CSc3nc(CC4CCCC4)n[nH]3)on2)c(Cl)c1 ZINC000022748449 558507342 /nfs/dbraw/zinc/50/73/42/558507342.db2.gz GOYMRLKVBJZRLK-UHFFFAOYSA-N 0 1 409.342 5.792 50 0 HKAAMN CN(C)[C@@H](CNC(=O)c1ccccc1SCc1cccs1)c1cccc(F)c1 ZINC000022766962 568499248 /nfs/dbraw/zinc/49/92/48/568499248.db2.gz AGJULYHRYHKCQZ-FQEVSTJZSA-N 0 1 414.571 5.212 50 0 HKAAMN CN(C)[C@H](CNC(=O)c1ccccc1SCc1cccs1)c1cccc(F)c1 ZINC000022766965 568499262 /nfs/dbraw/zinc/49/92/62/568499262.db2.gz AGJULYHRYHKCQZ-HXUWFJFHSA-N 0 1 414.571 5.212 50 0 HKAAMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022786628 558511091 /nfs/dbraw/zinc/51/10/91/558511091.db2.gz AEAQWYIHGFLSOS-NRFANRHFSA-N 0 1 424.548 5.205 50 0 HKAAMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022786634 558511077 /nfs/dbraw/zinc/51/10/77/558511077.db2.gz AEAQWYIHGFLSOS-OAQYLSRUSA-N 0 1 424.548 5.205 50 0 HKAAMN COc1cc(Br)c(CN[C@@H](C)c2cccc3ccccc32)cc1OC ZINC000022787752 568499674 /nfs/dbraw/zinc/49/96/74/568499674.db2.gz XXULJPUIUXWAJJ-AWEZNQCLSA-N 0 1 400.316 5.470 50 0 HKAAMN COc1cc(Br)c(CN[C@H](C)c2cccc3ccccc32)cc1OC ZINC000022787757 568499665 /nfs/dbraw/zinc/49/96/65/568499665.db2.gz XXULJPUIUXWAJJ-CQSZACIVSA-N 0 1 400.316 5.470 50 0 HKAAMN Cc1cccc(-c2nnc([C@@H](C)N3CCN(Cc4cccc5ccccc54)CC3)o2)c1 ZINC000022790325 557821899 /nfs/dbraw/zinc/82/18/99/557821899.db2.gz DLGRKDQVEKBPOW-HXUWFJFHSA-N 0 1 412.537 5.077 50 0 HKAAMN Cc1cccc(-c2nnc([C@H](C)N3CCN(Cc4cccc5ccccc54)CC3)o2)c1 ZINC000022790331 557821853 /nfs/dbraw/zinc/82/18/53/557821853.db2.gz DLGRKDQVEKBPOW-FQEVSTJZSA-N 0 1 412.537 5.077 50 0 HKAAMN c1sc(Nc2ccccc2)nc1CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000022927834 558523403 /nfs/dbraw/zinc/52/34/03/558523403.db2.gz PBHLMQOJFSJOTL-UHFFFAOYSA-N 0 1 414.578 5.358 50 0 HKAAMN CN(C)[C@@H](CNC(=O)c1ccccc1SCc1ccsc1)c1ccsc1 ZINC000023133240 558537286 /nfs/dbraw/zinc/53/72/86/558537286.db2.gz GHOXPHHJSCVQSQ-SFHVURJKSA-N 0 1 402.610 5.135 50 0 HKAAMN CN(C)[C@H](CNC(=O)c1ccccc1SCc1ccsc1)c1ccsc1 ZINC000023133242 558537273 /nfs/dbraw/zinc/53/72/73/558537273.db2.gz GHOXPHHJSCVQSQ-GOSISDBHSA-N 0 1 402.610 5.135 50 0 HKAAMN CC(C)N1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 ZINC000023153863 559021803 /nfs/dbraw/zinc/02/18/03/559021803.db2.gz YIIDNFKMAHRJOI-UHFFFAOYSA-N 0 1 413.612 5.776 50 0 HKAAMN CC(C)c1n[nH]c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 ZINC000023175045 558540391 /nfs/dbraw/zinc/54/03/91/558540391.db2.gz PRKMSQBLLISWGA-MRXNPFEDSA-N 0 1 420.460 5.419 50 0 HKAAMN CC(C)c1nc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n[nH]1 ZINC000023175045 558540392 /nfs/dbraw/zinc/54/03/92/558540392.db2.gz PRKMSQBLLISWGA-MRXNPFEDSA-N 0 1 420.460 5.419 50 0 HKAAMN CC(C)c1n[nH]c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 ZINC000023175048 558540315 /nfs/dbraw/zinc/54/03/15/558540315.db2.gz PRKMSQBLLISWGA-INIZCTEOSA-N 0 1 420.460 5.419 50 0 HKAAMN CC(C)c1nc(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n[nH]1 ZINC000023175048 558540318 /nfs/dbraw/zinc/54/03/18/558540318.db2.gz PRKMSQBLLISWGA-INIZCTEOSA-N 0 1 420.460 5.419 50 0 HKAAMN CCCCOCCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023304772 558548539 /nfs/dbraw/zinc/54/85/39/558548539.db2.gz KVANPIFIIYXCHZ-UHFFFAOYSA-N 0 1 411.933 5.334 50 0 HKAAMN CCCN(CC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023315767 559116894 /nfs/dbraw/zinc/11/68/94/559116894.db2.gz OSQAYAFHNPUYMK-UHFFFAOYSA-N 0 1 402.325 5.923 50 0 HKAAMN CCCN(CC)C(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023317443 559117558 /nfs/dbraw/zinc/11/75/58/559117558.db2.gz NHILFYINHRSJRN-UHFFFAOYSA-N 0 1 401.432 5.635 50 0 HKAAMN CC(C)OCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023317667 559117567 /nfs/dbraw/zinc/11/75/67/559117567.db2.gz OLVDGGSVVNTRHV-UHFFFAOYSA-N 0 1 418.324 5.205 50 0 HKAAMN CCSCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023318523 559125640 /nfs/dbraw/zinc/12/56/40/559125640.db2.gz MVCDWRTXCJWJKS-UHFFFAOYSA-N 0 1 420.365 5.533 50 0 HKAAMN CCSCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023320244 559125801 /nfs/dbraw/zinc/12/58/01/559125801.db2.gz SUVNOSNDRSHBKI-UHFFFAOYSA-N 0 1 419.472 5.245 50 0 HKAAMN CC[C@@H](COC)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023320512 559125894 /nfs/dbraw/zinc/12/58/94/559125894.db2.gz YLKSRVBADZJESI-INIZCTEOSA-N 0 1 418.324 5.205 50 0 HKAAMN CC[C@H](COC)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023320515 559125872 /nfs/dbraw/zinc/12/58/72/559125872.db2.gz YLKSRVBADZJESI-MRXNPFEDSA-N 0 1 418.324 5.205 50 0 HKAAMN CCCCN(CC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023320761 559126132 /nfs/dbraw/zinc/12/61/32/559126132.db2.gz BWTQATVKQQKHHN-UHFFFAOYSA-N 0 1 416.352 6.313 50 0 HKAAMN CCCN(CC)C(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023320936 559126101 /nfs/dbraw/zinc/12/61/01/559126101.db2.gz XIKBKLHRMGCDHF-UHFFFAOYSA-N 0 1 416.569 5.606 50 0 HKAAMN CCCN(CCC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023321311 559126221 /nfs/dbraw/zinc/12/62/21/559126221.db2.gz BEPXSMWQZMWLQY-UHFFFAOYSA-N 0 1 416.352 6.313 50 0 HKAAMN CCCCOCCCNC(=O)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023321949 559131671 /nfs/dbraw/zinc/13/16/71/559131671.db2.gz MPRNBOKZHWNUCG-UHFFFAOYSA-N 0 1 417.553 5.169 50 0 HKAAMN CCCCN(CC)C(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023322328 559134486 /nfs/dbraw/zinc/13/44/86/559134486.db2.gz NSHKKNXVIXOANZ-UHFFFAOYSA-N 0 1 415.459 6.025 50 0 HKAAMN CC1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)CC1 ZINC000023322606 559140839 /nfs/dbraw/zinc/14/08/39/559140839.db2.gz YUWHQJPLMWFQDI-UHFFFAOYSA-N 0 1 414.336 5.923 50 0 HKAAMN CCCN(CCC)C(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023322883 559141596 /nfs/dbraw/zinc/14/15/96/559141596.db2.gz BYIKSSPKGVERMF-UHFFFAOYSA-N 0 1 415.459 6.025 50 0 HKAAMN C[C@@H]1CCCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)C1 ZINC000023323123 559143821 /nfs/dbraw/zinc/14/38/21/559143821.db2.gz BLIFBSUOYGKQEI-CQSZACIVSA-N 0 1 414.336 5.923 50 0 HKAAMN C[C@H]1CCCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)C1 ZINC000023323126 559143903 /nfs/dbraw/zinc/14/39/03/559143903.db2.gz BLIFBSUOYGKQEI-AWEZNQCLSA-N 0 1 414.336 5.923 50 0 HKAAMN CC1CCN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)CC1 ZINC000023324356 559149670 /nfs/dbraw/zinc/14/96/70/559149670.db2.gz MGURWIWMPMKQAP-UHFFFAOYSA-N 0 1 413.443 5.635 50 0 HKAAMN CCCCCCN(C)Cc1csc(-c2cccc(-c3ccc(OCC)cc3)c2)n1 ZINC000023324485 559149760 /nfs/dbraw/zinc/14/97/60/559149760.db2.gz PKHSVLBSDDBYLG-UHFFFAOYSA-N 0 1 408.611 6.888 50 0 HKAAMN C[C@@H]1CCCN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)C1 ZINC000023324927 559150456 /nfs/dbraw/zinc/15/04/56/559150456.db2.gz ZILKAIGGIFRVTH-OAHLLOKOSA-N 0 1 413.443 5.635 50 0 HKAAMN C[C@H]1CCCN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)C1 ZINC000023324929 559150467 /nfs/dbraw/zinc/15/04/67/559150467.db2.gz ZILKAIGGIFRVTH-HNNXBMFYSA-N 0 1 413.443 5.635 50 0 HKAAMN CCCCN(CC)C(=O)c1ccc(-c2n[nH]c3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023326341 559154077 /nfs/dbraw/zinc/15/40/77/559154077.db2.gz QCIQAERYTADXIX-UHFFFAOYSA-N 0 1 403.526 5.113 50 0 HKAAMN CCCN(CCC)C(=O)c1ccc(-c2n[nH]c3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023327187 559154610 /nfs/dbraw/zinc/15/46/10/559154610.db2.gz HYFAKYNQLPFCSH-UHFFFAOYSA-N 0 1 403.526 5.113 50 0 HKAAMN CCCN(CC1CC1)C(=O)c1ccc(-c2n[nH]c3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023333026 559171635 /nfs/dbraw/zinc/17/16/35/559171635.db2.gz SPJHPZSEQGXNAR-UHFFFAOYSA-N 0 1 415.537 5.113 50 0 HKAAMN CCCCCN(C)Cc1csc(-c2cccc(-c3cc(OC)ccc3OC)c2)n1 ZINC000023334554 559172691 /nfs/dbraw/zinc/17/26/91/559172691.db2.gz ZNHOVKAGXJBOKM-UHFFFAOYSA-N 0 1 410.583 6.116 50 0 HKAAMN CCCCCCN(C)Cc1csc(-c2cccc(-c3cc(OC)ccc3OC)c2)n1 ZINC000023335965 559172433 /nfs/dbraw/zinc/17/24/33/559172433.db2.gz QUULUEGLODMEME-UHFFFAOYSA-N 0 1 424.610 6.506 50 0 HKAAMN O=C(NCCSCc1ccccc1)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023336088 559172378 /nfs/dbraw/zinc/17/23/78/559172378.db2.gz PHEBOHLXHWKDDH-UHFFFAOYSA-N 0 1 413.546 5.407 50 0 HKAAMN O=C(NCCc1cccc(Cl)c1)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023336103 559172403 /nfs/dbraw/zinc/17/24/03/559172403.db2.gz OYOKIEZLAQXHEY-UHFFFAOYSA-N 0 1 401.897 5.370 50 0 HKAAMN S=c1sc(SC[C@@H]2CN[C@@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 ZINC000023409327 558557264 /nfs/dbraw/zinc/55/72/64/558557264.db2.gz QGVYENGYDQFOBU-JKSUJKDBSA-N 0 1 422.000 5.096 50 0 HKAAMN S=c1sc(SC[C@H]2CN[C@@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 ZINC000023409332 558557211 /nfs/dbraw/zinc/55/72/11/558557211.db2.gz QGVYENGYDQFOBU-HZPDHXFCSA-N 0 1 422.000 5.096 50 0 HKAAMN S=c1sc(SC[C@H]2CN[C@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 ZINC000023409335 558557236 /nfs/dbraw/zinc/55/72/36/558557236.db2.gz QGVYENGYDQFOBU-CVEARBPZSA-N 0 1 422.000 5.096 50 0 HKAAMN O=C(NCCCc1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023426335 559173972 /nfs/dbraw/zinc/17/39/72/559173972.db2.gz FGTYEUWTJNITOV-UHFFFAOYSA-N 0 1 415.924 5.760 50 0 HKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCCCc4ccccc4)cc3)[nH]n2)c1 ZINC000023427339 559174099 /nfs/dbraw/zinc/17/40/99/559174099.db2.gz VRHLITRLDXGSJO-UHFFFAOYSA-N 0 1 411.505 5.115 50 0 HKAAMN Cc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)c1 ZINC000023428942 559174326 /nfs/dbraw/zinc/17/43/26/559174326.db2.gz OPAZMODXZJMYRS-UHFFFAOYSA-N 0 1 401.897 5.636 50 0 HKAAMN O=C(NCCOc1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023428973 559174278 /nfs/dbraw/zinc/17/42/78/559174278.db2.gz ZPQJVQJPOCYMHY-UHFFFAOYSA-N 0 1 417.896 5.206 50 0 HKAAMN C[C@@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1)c1ccccc1 ZINC000023431353 559174356 /nfs/dbraw/zinc/17/43/56/559174356.db2.gz LRBPPPSIIHPDDK-MRXNPFEDSA-N 0 1 401.897 5.888 50 0 HKAAMN C[C@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1)c1ccccc1 ZINC000023431357 559174387 /nfs/dbraw/zinc/17/43/87/559174387.db2.gz LRBPPPSIIHPDDK-INIZCTEOSA-N 0 1 401.897 5.888 50 0 HKAAMN Cc1cccc(Cl)c1CNC(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023431911 559174389 /nfs/dbraw/zinc/17/43/89/559174389.db2.gz PBWFQVTUTLYGGR-UHFFFAOYSA-N 0 1 401.897 5.636 50 0 HKAAMN CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023432077 559174414 /nfs/dbraw/zinc/17/44/14/559174414.db2.gz BTIHPERWJJSFKU-UHFFFAOYSA-N 0 1 401.897 5.669 50 0 HKAAMN CSCCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023433805 559174515 /nfs/dbraw/zinc/17/45/15/559174515.db2.gz MNHQPLNQPUEYCH-UHFFFAOYSA-N 0 1 401.535 5.380 50 0 HKAAMN O=C(NCCc1ccc(F)cc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023434256 559174513 /nfs/dbraw/zinc/17/45/13/559174513.db2.gz YJSMWXZQXHPKJF-UHFFFAOYSA-N 0 1 419.887 5.509 50 0 HKAAMN CCSCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023434633 559174528 /nfs/dbraw/zinc/17/45/28/559174528.db2.gz QCIMEOVWUQCKHF-UHFFFAOYSA-N 0 1 401.535 5.380 50 0 HKAAMN O=C(c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000023435594 559174154 /nfs/dbraw/zinc/17/41/54/559174154.db2.gz QQGLYMLXAAQBAM-UHFFFAOYSA-N 0 1 421.544 5.839 50 0 HKAAMN O=C(NCc1ccco1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023436065 559174206 /nfs/dbraw/zinc/17/42/06/559174206.db2.gz ZUUZLFWKTRBNJG-UHFFFAOYSA-N 0 1 412.276 5.574 50 0 HKAAMN CN(CCc1ccccn1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023436948 559174149 /nfs/dbraw/zinc/17/41/49/559174149.db2.gz WAUGAKQFYLAQBF-UHFFFAOYSA-N 0 1 416.912 5.107 50 0 HKAAMN CCCOCCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023437325 559174171 /nfs/dbraw/zinc/17/41/71/559174171.db2.gz JEONEPCPRMTHAF-UHFFFAOYSA-N 0 1 413.521 5.443 50 0 HKAAMN COc1ccc(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)cc1 ZINC000023437838 559174186 /nfs/dbraw/zinc/17/41/86/559174186.db2.gz FLXVXGSYANZFQU-UHFFFAOYSA-N 0 1 417.896 5.336 50 0 HKAAMN CC(C)OCCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023438060 559174197 /nfs/dbraw/zinc/17/41/97/559174197.db2.gz UFYJYXJUIFGXCL-UHFFFAOYSA-N 0 1 413.521 5.442 50 0 HKAAMN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023438342 559174824 /nfs/dbraw/zinc/17/48/24/559174824.db2.gz FQGQWSLBBGYDJL-UHFFFAOYSA-N 0 1 422.315 5.981 50 0 HKAAMN COc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)c1 ZINC000023438979 559174894 /nfs/dbraw/zinc/17/48/94/559174894.db2.gz NOJQOSZAPBLNRD-UHFFFAOYSA-N 0 1 417.896 5.336 50 0 HKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)[nH]n2)c1 ZINC000023439340 559174871 /nfs/dbraw/zinc/17/48/71/559174871.db2.gz ZGRYDDGLHIUMBZ-UHFFFAOYSA-N 0 1 417.896 5.336 50 0 HKAAMN O=C(NCc1cccc(Cl)c1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023439524 559174889 /nfs/dbraw/zinc/17/48/89/559174889.db2.gz YQCMLPWOOVUBCE-UHFFFAOYSA-N 0 1 422.315 5.981 50 0 HKAAMN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023440009 559174906 /nfs/dbraw/zinc/17/49/06/559174906.db2.gz CLEMBTCQKUUSRE-UHFFFAOYSA-N 0 1 421.422 5.693 50 0 HKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4cccc(Cl)c4)cc3)[nH]n2)c1 ZINC000023440356 559174859 /nfs/dbraw/zinc/17/48/59/559174859.db2.gz IBJWJHWFZOVDLQ-UHFFFAOYSA-N 0 1 417.896 5.336 50 0 HKAAMN O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023442348 559175001 /nfs/dbraw/zinc/17/50/01/559175001.db2.gz GPVMKAZTMLKDNO-UHFFFAOYSA-N 0 1 423.850 5.605 50 0 HKAAMN O=C(NCc1cc(F)cc(F)c1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023442775 559175040 /nfs/dbraw/zinc/17/50/40/559175040.db2.gz ONTKNQUGSQMVQB-UHFFFAOYSA-N 0 1 423.850 5.605 50 0 HKAAMN O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023442843 559175024 /nfs/dbraw/zinc/17/50/24/559175024.db2.gz RZHYDRNLDHXOBK-JOCHJYFZSA-N 0 1 413.908 5.814 50 0 HKAAMN O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023442847 559175031 /nfs/dbraw/zinc/17/50/31/559175031.db2.gz RZHYDRNLDHXOBK-QFIPXVFZSA-N 0 1 413.908 5.814 50 0 HKAAMN O=C(NCc1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023443413 559175100 /nfs/dbraw/zinc/17/51/00/559175100.db2.gz RSJDTHQIVPKQCK-UHFFFAOYSA-N 0 1 422.315 5.981 50 0 HKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@@H]4CCc5ccccc54)cc3)[nH]n2)c1 ZINC000023443648 559175064 /nfs/dbraw/zinc/17/50/64/559175064.db2.gz MTSQNWSMKLLWCV-HSZRJFAPSA-N 0 1 409.489 5.170 50 0 HKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@H]4CCc5ccccc54)cc3)[nH]n2)c1 ZINC000023443652 559175120 /nfs/dbraw/zinc/17/51/20/559175120.db2.gz MTSQNWSMKLLWCV-QHCPKHFHSA-N 0 1 409.489 5.170 50 0 HKAAMN O=C(NCc1cccc(F)c1F)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023443863 559175126 /nfs/dbraw/zinc/17/51/26/559175126.db2.gz IBEPYZBWGQVIDY-UHFFFAOYSA-N 0 1 423.850 5.605 50 0 HKAAMN O=C(c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000023444528 559175087 /nfs/dbraw/zinc/17/50/87/559175087.db2.gz OACYQLIRYPXJKP-UHFFFAOYSA-N 0 1 413.908 5.596 50 0 HKAAMN CCCN(CC1CC1)C(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023444626 559175217 /nfs/dbraw/zinc/17/52/17/559175217.db2.gz SZKHJIQCDDDSFG-UHFFFAOYSA-N 0 1 409.533 6.159 50 0 HKAAMN O=C(NCc1ccccc1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023445095 559175228 /nfs/dbraw/zinc/17/52/28/559175228.db2.gz LPSWOVFXUHALBQ-UHFFFAOYSA-N 0 1 421.422 5.693 50 0 HKAAMN O=C(NCCCc1ccccc1)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023445912 559175226 /nfs/dbraw/zinc/17/52/26/559175226.db2.gz NHRNDTPDLOXQHX-UHFFFAOYSA-N 0 1 421.544 5.595 50 0 HKAAMN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2[nH]nc3c2COc2ccccc2-3)cc1 ZINC000023446667 559175345 /nfs/dbraw/zinc/17/53/45/559175345.db2.gz WHJRXYGXJZEUCY-SFHVURJKSA-N 0 1 423.516 5.387 50 0 HKAAMN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2[nH]nc3c2COc2ccccc2-3)cc1 ZINC000023446669 559175293 /nfs/dbraw/zinc/17/52/93/559175293.db2.gz WHJRXYGXJZEUCY-GOSISDBHSA-N 0 1 423.516 5.387 50 0 HKAAMN Cc1cccc(CNC(=O)c2ccc(-c3n[nH]c4c3CCCc3ccccc3-4)cc2)c1 ZINC000023446999 559175398 /nfs/dbraw/zinc/17/53/98/559175398.db2.gz KNPRMNOEQLFOJG-UHFFFAOYSA-N 0 1 407.517 5.471 50 0 HKAAMN O=C(NCCOc1ccccc1)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023447001 559175420 /nfs/dbraw/zinc/17/54/20/559175420.db2.gz XQKDUWGJAOTIMA-UHFFFAOYSA-N 0 1 423.516 5.041 50 0 HKAAMN Cc1ccccc1CNC(=O)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023447377 559175391 /nfs/dbraw/zinc/17/53/91/559175391.db2.gz PRISQBLFECNWBL-UHFFFAOYSA-N 0 1 407.517 5.471 50 0 HKAAMN C[C@@H](NC(=O)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1)c1ccccc1 ZINC000023448033 559175537 /nfs/dbraw/zinc/17/55/37/559175537.db2.gz RXFXJLJRJGJYIS-GOSISDBHSA-N 0 1 407.517 5.723 50 0 HKAAMN C[C@H](NC(=O)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1)c1ccccc1 ZINC000023448036 559175568 /nfs/dbraw/zinc/17/55/68/559175568.db2.gz RXFXJLJRJGJYIS-SFHVURJKSA-N 0 1 407.517 5.723 50 0 HKAAMN CN(Cc1ccccc1)C(=O)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023448397 559174541 /nfs/dbraw/zinc/17/45/41/559174541.db2.gz SFRFYPADIXSJME-UHFFFAOYSA-N 0 1 407.517 5.505 50 0 HKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3)[nH]n2)c1 ZINC000023449189 559174617 /nfs/dbraw/zinc/17/46/17/559174617.db2.gz WCVWALGJMOVSMD-XMMPIXPASA-N 0 1 423.516 5.560 50 0 HKAAMN O=C(NCCc1cccs1)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023449566 559174581 /nfs/dbraw/zinc/17/45/81/559174581.db2.gz XZVFCAVKHNUUJC-UHFFFAOYSA-N 0 1 413.546 5.266 50 0 HKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCc4cccc(C)c4)cc3)n[nH]c1-2 ZINC000023452234 525536042 /nfs/dbraw/zinc/53/60/42/525536042.db2.gz XVTIZLKDLSXUBK-UHFFFAOYSA-N 0 1 423.516 5.089 50 0 HKAAMN COc1cccc(CNC(=O)c2ccc(-c3n[nH]c4c3CCCc3ccccc3-4)cc2)c1 ZINC000023452632 559175772 /nfs/dbraw/zinc/17/57/72/559175772.db2.gz JSIUARVFVBCODB-UHFFFAOYSA-N 0 1 423.516 5.171 50 0 HKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)n[nH]c1-2 ZINC000023453394 559175938 /nfs/dbraw/zinc/17/59/38/559175938.db2.gz QFXZDTAAISTNEE-KRWDZBQOSA-N 0 1 423.516 5.342 50 0 HKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)n[nH]c1-2 ZINC000023453395 559175945 /nfs/dbraw/zinc/17/59/45/559175945.db2.gz QFXZDTAAISTNEE-QGZVFWFLSA-N 0 1 423.516 5.342 50 0 HKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)N4Cc5ccccc5C4)cc3)n[nH]c1-2 ZINC000023457626 559176191 /nfs/dbraw/zinc/17/61/91/559176191.db2.gz ROKOZCWTHXSXCZ-UHFFFAOYSA-N 0 1 421.500 5.007 50 0 HKAAMN Cc1ccc(CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)o1 ZINC000023462368 559175712 /nfs/dbraw/zinc/17/57/12/559175712.db2.gz YOGCWRUGIWIMKA-UHFFFAOYSA-N 0 1 407.473 5.728 50 0 HKAAMN O=C(NCc1ccccc1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023462516 559175816 /nfs/dbraw/zinc/17/58/16/559175816.db2.gz YRXCLQXDLCXTPW-UHFFFAOYSA-N 0 1 403.485 5.827 50 0 HKAAMN Clc1cc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc2c1OCCCO2 ZINC000023466435 558558983 /nfs/dbraw/zinc/55/89/83/558558983.db2.gz VTKSIQKXTDCMEQ-MRXNPFEDSA-N 0 1 414.958 5.491 50 0 HKAAMN Clc1cc(CN2CCC[C@H](c3nc4ccccc4s3)C2)cc2c1OCCCO2 ZINC000023466436 558558950 /nfs/dbraw/zinc/55/89/50/558558950.db2.gz VTKSIQKXTDCMEQ-INIZCTEOSA-N 0 1 414.958 5.491 50 0 HKAAMN C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000023882528 558580127 /nfs/dbraw/zinc/58/01/27/558580127.db2.gz JUUMETXDVKVNKK-CQSZACIVSA-N 0 1 409.942 5.198 50 0 HKAAMN C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000023882532 558580008 /nfs/dbraw/zinc/58/00/08/558580008.db2.gz JUUMETXDVKVNKK-AWEZNQCLSA-N 0 1 409.942 5.198 50 0 HKAAMN CC(C)[C@@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(F)cc1 ZINC000023908058 558580959 /nfs/dbraw/zinc/58/09/59/558580959.db2.gz UZFJEHGXBGSTCG-OAQYLSRUSA-N 0 1 407.514 5.278 50 0 HKAAMN CC(C)[C@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(F)cc1 ZINC000023908061 558580822 /nfs/dbraw/zinc/58/08/22/558580822.db2.gz UZFJEHGXBGSTCG-NRFANRHFSA-N 0 1 407.514 5.278 50 0 HKAAMN Clc1ccccc1-c1nnc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)o1 ZINC000023967804 526985385 /nfs/dbraw/zinc/98/53/85/526985385.db2.gz MRNCQJYHBFGSAK-CQSZACIVSA-N 0 1 410.930 5.379 50 0 HKAAMN Clc1ccccc1-c1nnc(CN2CCC[C@H](c3nc4ccccc4s3)C2)o1 ZINC000023967806 526985633 /nfs/dbraw/zinc/98/56/33/526985633.db2.gz MRNCQJYHBFGSAK-AWEZNQCLSA-N 0 1 410.930 5.379 50 0 HKAAMN c1ccc(-c2nnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)s2)cc1 ZINC000024052541 558587214 /nfs/dbraw/zinc/58/72/14/558587214.db2.gz PXUPOASEQYZIQA-UHFFFAOYSA-N 0 1 412.562 5.117 50 0 HKAAMN CC(C)[C@@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(Cl)cc1 ZINC000024258801 558593363 /nfs/dbraw/zinc/59/33/63/558593363.db2.gz PSSYEKJRBYZYSY-OAQYLSRUSA-N 0 1 423.969 5.792 50 0 HKAAMN CC(C)[C@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(Cl)cc1 ZINC000024258805 558593263 /nfs/dbraw/zinc/59/32/63/558593263.db2.gz PSSYEKJRBYZYSY-NRFANRHFSA-N 0 1 423.969 5.792 50 0 HKAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc2cc(F)ccc2s1 ZINC000024355451 558595944 /nfs/dbraw/zinc/59/59/44/558595944.db2.gz MHCKLXFCTDTZFL-UHFFFAOYSA-N 0 1 402.922 5.088 50 0 HKAAMN O=c1nc(C[N@@H+](Cc2ccccc2)Cc2cccc3ccccc32)[n-]c2ccsc21 ZINC000024528704 558600361 /nfs/dbraw/zinc/60/03/61/558600361.db2.gz QQHPYZGSUQVJIK-UHFFFAOYSA-N 0 1 411.530 5.340 50 0 HKAAMN Clc1ccc(-c2nnc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000024602059 558602414 /nfs/dbraw/zinc/60/24/14/558602414.db2.gz MBDZDBMEZIAJCD-OAHLLOKOSA-N 0 1 410.930 5.379 50 0 HKAAMN Clc1ccc(-c2nnc(CN3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000024602062 558602376 /nfs/dbraw/zinc/60/23/76/558602376.db2.gz MBDZDBMEZIAJCD-HNNXBMFYSA-N 0 1 410.930 5.379 50 0 HKAAMN Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000024606128 558602667 /nfs/dbraw/zinc/60/26/67/558602667.db2.gz SOORNIWFOOWLOT-UHFFFAOYSA-N 0 1 414.914 5.010 50 0 HKAAMN Cc1sc2[nH]c(CN[C@@H](c3ccccc3)C(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000024634692 558605811 /nfs/dbraw/zinc/60/58/11/558605811.db2.gz RSUODBVSUNOMHJ-HSZRJFAPSA-N 0 1 417.578 5.755 50 0 HKAAMN Cc1sc2[nH]c(CN[C@H](c3ccccc3)C(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000024634699 558605733 /nfs/dbraw/zinc/60/57/33/558605733.db2.gz RSUODBVSUNOMHJ-QHCPKHFHSA-N 0 1 417.578 5.755 50 0 HKAAMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000024747170 568460947 /nfs/dbraw/zinc/46/09/47/568460947.db2.gz AZUBLMTXXPQOKG-CYBMUJFWSA-N 0 1 417.340 5.085 50 0 HKAAMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000024747179 568460912 /nfs/dbraw/zinc/46/09/12/568460912.db2.gz AZUBLMTXXPQOKG-ZDUSSCGKSA-N 0 1 417.340 5.085 50 0 HKAAMN CC(C)c1cccc(C(C)C)c1NC(=O)CCN1CCN(Cc2ccsc2)CC1 ZINC000024753902 519841104 /nfs/dbraw/zinc/84/11/04/519841104.db2.gz VHHURTUBDHHADW-UHFFFAOYSA-N 0 1 413.631 5.141 50 0 HKAAMN O=C(CCc1nc2ccccc2s1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000024968587 558622918 /nfs/dbraw/zinc/62/29/18/558622918.db2.gz COYDARKFLJJCIS-DEOSSOPVSA-N 0 1 412.518 5.011 50 0 HKAAMN O=C(CCc1nc2ccccc2s1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000024968591 558622875 /nfs/dbraw/zinc/62/28/75/558622875.db2.gz COYDARKFLJJCIS-XMMPIXPASA-N 0 1 412.518 5.011 50 0 HKAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1ccc(OC(F)(F)F)cc1 ZINC000024972063 568516402 /nfs/dbraw/zinc/51/64/02/568516402.db2.gz WOAUNZBXPMTXIE-UHFFFAOYSA-N 0 1 403.448 5.045 50 0 HKAAMN O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc(Cl)c1Cl ZINC000024979939 558624151 /nfs/dbraw/zinc/62/41/51/558624151.db2.gz LKJUWGXNHHPMTC-UHFFFAOYSA-N 0 1 421.324 5.105 50 0 HKAAMN Cc1ccccc1[C@@H](C)NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000025057706 558629219 /nfs/dbraw/zinc/62/92/19/558629219.db2.gz GENUMHBKIZYDJY-CQSZACIVSA-N 0 1 409.942 5.464 50 0 HKAAMN Cc1ccccc1[C@H](C)NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000025057712 558629301 /nfs/dbraw/zinc/62/93/01/558629301.db2.gz GENUMHBKIZYDJY-AWEZNQCLSA-N 0 1 409.942 5.464 50 0 HKAAMN O=C(NCc1ccsc1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025144722 568752709 /nfs/dbraw/zinc/75/27/09/568752709.db2.gz WYOHFXISYHIYOW-UHFFFAOYSA-N 0 1 409.514 5.888 50 0 HKAAMN Cc1cccc(CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)c1 ZINC000025145094 568752705 /nfs/dbraw/zinc/75/27/05/568752705.db2.gz AULLVIWKUNTYHE-UHFFFAOYSA-N 0 1 417.512 6.135 50 0 HKAAMN O=C(NCc1cccs1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025145400 568752587 /nfs/dbraw/zinc/75/25/87/568752587.db2.gz GRYDXYRSYUHWAU-UHFFFAOYSA-N 0 1 409.514 5.888 50 0 HKAAMN Cc1ccccc1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025145469 568752634 /nfs/dbraw/zinc/75/26/34/568752634.db2.gz NGLALTILMSPIBZ-UHFFFAOYSA-N 0 1 417.512 6.135 50 0 HKAAMN C[C@@H](NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1)c1ccccc1 ZINC000025145929 568752777 /nfs/dbraw/zinc/75/27/77/568752777.db2.gz IVBLVNCDKNTWFH-LJQANCHMSA-N 0 1 417.512 6.388 50 0 HKAAMN C[C@H](NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1)c1ccccc1 ZINC000025145932 568752742 /nfs/dbraw/zinc/75/27/42/568752742.db2.gz IVBLVNCDKNTWFH-IBGZPJMESA-N 0 1 417.512 6.388 50 0 HKAAMN O=C(NCc1ccccc1F)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025146717 568752717 /nfs/dbraw/zinc/75/27/17/568752717.db2.gz JEAXVVCIPRBXAP-UHFFFAOYSA-N 0 1 421.475 5.966 50 0 HKAAMN O=C(c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1)N1Cc2ccccc2C1 ZINC000025148939 568753946 /nfs/dbraw/zinc/75/39/46/568753946.db2.gz DUZKBRVOFYSSTF-UHFFFAOYSA-N 0 1 415.496 6.053 50 0 HKAAMN CN(C)[C@@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccsc1 ZINC000025329387 558638462 /nfs/dbraw/zinc/63/84/62/558638462.db2.gz WLYFGOQMYYWVTG-INIZCTEOSA-N 0 1 408.445 5.060 50 0 HKAAMN CN(C)[C@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccsc1 ZINC000025329388 558638446 /nfs/dbraw/zinc/63/84/46/558638446.db2.gz WLYFGOQMYYWVTG-MRXNPFEDSA-N 0 1 408.445 5.060 50 0 HKAAMN c1ccc(C(c2ccccc2)N2CCN(C3=Nc4cccc5cccc3c45)CC2)cc1 ZINC000025329527 558638466 /nfs/dbraw/zinc/63/84/66/558638466.db2.gz HVZWNBKIBFDLPP-UHFFFAOYSA-N 0 1 403.529 5.639 50 0 HKAAMN CN(C)[C@@H](CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000025329896 558638376 /nfs/dbraw/zinc/63/83/76/558638376.db2.gz MLIUMWOCGCPWNS-FQEVSTJZSA-N 0 1 418.484 5.467 50 0 HKAAMN CN(C)[C@H](CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000025329897 558638435 /nfs/dbraw/zinc/63/84/35/558638435.db2.gz MLIUMWOCGCPWNS-HXUWFJFHSA-N 0 1 418.484 5.467 50 0 HKAAMN COc1cc(CN[C@@H](C)c2ccccn2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000025358930 522474672 /nfs/dbraw/zinc/47/46/72/522474672.db2.gz OYVMJNBMLNSFLY-INIZCTEOSA-N 0 1 416.443 5.539 50 0 HKAAMN COc1cc(CN[C@H](C)c2ccccn2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000025358934 522487466 /nfs/dbraw/zinc/48/74/66/522487466.db2.gz OYVMJNBMLNSFLY-MRXNPFEDSA-N 0 1 416.443 5.539 50 0 HKAAMN COc1cc(CN[C@@H](C)c2ccccn2)ccc1OCCOc1ccccc1Cl ZINC000025358952 522473638 /nfs/dbraw/zinc/47/36/38/522473638.db2.gz RIDSONYIDRMEOK-KRWDZBQOSA-N 0 1 412.917 5.052 50 0 HKAAMN COc1cc(CN[C@H](C)c2ccccn2)ccc1OCCOc1ccccc1Cl ZINC000025358956 522486570 /nfs/dbraw/zinc/48/65/70/522486570.db2.gz RIDSONYIDRMEOK-QGZVFWFLSA-N 0 1 412.917 5.052 50 0 HKAAMN COc1ccc(-c2nnc([C@@H](C)N3CCC(CCc4ccc(C)cc4)CC3)o2)cc1 ZINC000025753749 568913719 /nfs/dbraw/zinc/91/37/19/568913719.db2.gz LEFDQKWSRNORFJ-LJQANCHMSA-N 0 1 405.542 5.459 50 0 HKAAMN COc1ccc(-c2nnc([C@H](C)N3CCC(CCc4ccc(C)cc4)CC3)o2)cc1 ZINC000025753752 568913738 /nfs/dbraw/zinc/91/37/38/568913738.db2.gz LEFDQKWSRNORFJ-IBGZPJMESA-N 0 1 405.542 5.459 50 0 HKAAMN O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Sc2ccc(Cl)cc2)c1 ZINC000025782100 569286497 /nfs/dbraw/zinc/28/64/97/569286497.db2.gz KPQTWTKDQCMIFX-UHFFFAOYSA-N 0 1 414.313 6.359 50 0 HKAAMN CN(C)[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccsc1 ZINC000025813517 558650735 /nfs/dbraw/zinc/65/07/35/558650735.db2.gz MYKSAWXRIGISTK-NRFANRHFSA-N 0 1 417.534 5.103 50 0 HKAAMN CN(C)[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccsc1 ZINC000025813522 558650813 /nfs/dbraw/zinc/65/08/13/558650813.db2.gz MYKSAWXRIGISTK-OAQYLSRUSA-N 0 1 417.534 5.103 50 0 HKAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000026121245 569017466 /nfs/dbraw/zinc/01/74/66/569017466.db2.gz OUBNIGNTMRVWPP-UHFFFAOYSA-N 0 1 410.949 5.194 50 0 HKAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000026121252 569017487 /nfs/dbraw/zinc/01/74/87/569017487.db2.gz ICZUDPILOMGXAL-UHFFFAOYSA-N 0 1 410.949 5.194 50 0 HKAAMN CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000026121512 569017494 /nfs/dbraw/zinc/01/74/94/569017494.db2.gz GJDHPKHAEMAWDV-UHFFFAOYSA-N 0 1 404.558 5.239 50 0 HKAAMN CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000026121544 558655718 /nfs/dbraw/zinc/65/57/18/558655718.db2.gz YLOKSMKUKUZVJK-UHFFFAOYSA-N 0 1 408.521 5.070 50 0 HKAAMN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H](C)c3ccccc3)c2)[nH]1 ZINC000026961992 558667667 /nfs/dbraw/zinc/66/76/67/558667667.db2.gz VXPWQNBKEIVYIS-OAHLLOKOSA-N 0 1 404.514 6.173 50 0 in-vivo HKAAMN CC(C)N(C)C(=O)c1ccc(CNCc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000027219187 569289059 /nfs/dbraw/zinc/28/90/59/569289059.db2.gz JQDPFFBEXHBUCB-UHFFFAOYSA-N 0 1 419.550 5.327 50 0 HKAAMN Fc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1Br ZINC000027222909 558671059 /nfs/dbraw/zinc/67/10/59/558671059.db2.gz XOEMMOCUENHZTG-HXUWFJFHSA-N 0 1 414.322 5.000 50 0 HKAAMN Fc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1Br ZINC000027222912 558671020 /nfs/dbraw/zinc/67/10/20/558671020.db2.gz XOEMMOCUENHZTG-FQEVSTJZSA-N 0 1 414.322 5.000 50 0 HKAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000027460265 558673246 /nfs/dbraw/zinc/67/32/46/558673246.db2.gz MIHPZRFHIJWLLW-QHCPKHFHSA-N 0 1 415.880 5.181 50 0 HKAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000027460271 558673302 /nfs/dbraw/zinc/67/33/02/558673302.db2.gz MIHPZRFHIJWLLW-HSZRJFAPSA-N 0 1 415.880 5.181 50 0 HKAAMN O=C1S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1c1ccccc1 ZINC000027519499 569328135 /nfs/dbraw/zinc/32/81/35/569328135.db2.gz UWKFSUZKPVWLGT-QPEQYQDCSA-N 0 1 410.676 5.049 50 0 HKAAMN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1ccc(-n2cccn2)cc1 ZINC000027543291 558674633 /nfs/dbraw/zinc/67/46/33/558674633.db2.gz OEUJIARPJQZLPW-UHFFFAOYSA-N 0 1 419.960 5.019 50 0 HKAAMN COc1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccccc3)[nH]2)c1OC ZINC000027548119 569372085 /nfs/dbraw/zinc/37/20/85/569372085.db2.gz VOPZBJWXMNHQEV-UHFFFAOYSA-N 0 1 424.422 6.447 50 0 HKAAMN COc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccccc3)[nH]2)cc1OC ZINC000027548123 569372067 /nfs/dbraw/zinc/37/20/67/569372067.db2.gz XXSXNGMSKHZJHG-UHFFFAOYSA-N 0 1 424.422 6.447 50 0 HKAAMN CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027582670 558675898 /nfs/dbraw/zinc/67/58/98/558675898.db2.gz CKEKFXHLKZCQDQ-OAQYLSRUSA-N 0 1 400.950 5.086 50 0 HKAAMN CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027582674 558676020 /nfs/dbraw/zinc/67/60/20/558676020.db2.gz CKEKFXHLKZCQDQ-NRFANRHFSA-N 0 1 400.950 5.086 50 0 HKAAMN Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)cc1C ZINC000027582680 558676029 /nfs/dbraw/zinc/67/60/29/558676029.db2.gz CMXQUQURVFMSER-HSZRJFAPSA-N 0 1 414.977 5.069 50 0 HKAAMN Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)cc1C ZINC000027582685 558675926 /nfs/dbraw/zinc/67/59/26/558675926.db2.gz CMXQUQURVFMSER-QHCPKHFHSA-N 0 1 414.977 5.069 50 0 HKAAMN Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)c1 ZINC000027582691 558676041 /nfs/dbraw/zinc/67/60/41/558676041.db2.gz GKDNNFJDRWKFBF-HSZRJFAPSA-N 0 1 414.977 5.069 50 0 HKAAMN Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)c1 ZINC000027582697 558675889 /nfs/dbraw/zinc/67/58/89/558675889.db2.gz GKDNNFJDRWKFBF-QHCPKHFHSA-N 0 1 414.977 5.069 50 0 HKAAMN CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)cc1 ZINC000027582771 558675872 /nfs/dbraw/zinc/67/58/72/558675872.db2.gz LUSMMPDXLQZRPR-JOCHJYFZSA-N 0 1 400.950 5.086 50 0 HKAAMN CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)cc1 ZINC000027582775 558675955 /nfs/dbraw/zinc/67/59/55/558675955.db2.gz LUSMMPDXLQZRPR-QFIPXVFZSA-N 0 1 400.950 5.086 50 0 HKAAMN COc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCCCC2)cc1 ZINC000027583182 558676232 /nfs/dbraw/zinc/67/62/32/558676232.db2.gz FCVKDYUKYLSJPM-JOCHJYFZSA-N 0 1 424.516 5.236 50 0 HKAAMN COc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCCCC2)cc1 ZINC000027583187 558676120 /nfs/dbraw/zinc/67/61/20/558676120.db2.gz FCVKDYUKYLSJPM-QFIPXVFZSA-N 0 1 424.516 5.236 50 0 HKAAMN CCCCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000027583778 558676211 /nfs/dbraw/zinc/67/62/11/558676211.db2.gz KUJZSLAOKDKZMW-JOCHJYFZSA-N 0 1 400.950 5.086 50 0 HKAAMN CCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000027583782 558676142 /nfs/dbraw/zinc/67/61/42/558676142.db2.gz KUJZSLAOKDKZMW-QFIPXVFZSA-N 0 1 400.950 5.086 50 0 HKAAMN CCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)c1 ZINC000027584020 558676133 /nfs/dbraw/zinc/67/61/33/558676133.db2.gz SRUMEJUGIYORLC-JOCHJYFZSA-N 0 1 400.950 5.086 50 0 HKAAMN CCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)c1 ZINC000027584027 558676283 /nfs/dbraw/zinc/67/62/83/558676283.db2.gz SRUMEJUGIYORLC-QFIPXVFZSA-N 0 1 400.950 5.086 50 0 HKAAMN Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3cccs3)N3CCCC3)sc2c1 ZINC000027584165 558676417 /nfs/dbraw/zinc/67/64/17/558676417.db2.gz ZPQUHRVAQXOOJW-OAHLLOKOSA-N 0 1 404.988 5.492 50 0 HKAAMN Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3cccs3)N3CCCC3)sc2c1 ZINC000027584171 558676378 /nfs/dbraw/zinc/67/63/78/558676378.db2.gz ZPQUHRVAQXOOJW-HNNXBMFYSA-N 0 1 404.988 5.492 50 0 HKAAMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(-c2ccccc2Cl)o1 ZINC000027605247 558677281 /nfs/dbraw/zinc/67/72/81/558677281.db2.gz VIDJEEHJINYRAQ-QGZVFWFLSA-N 0 1 400.931 5.228 50 0 HKAAMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(-c2ccccc2Cl)o1 ZINC000027605251 558677346 /nfs/dbraw/zinc/67/73/46/558677346.db2.gz VIDJEEHJINYRAQ-KRWDZBQOSA-N 0 1 400.931 5.228 50 0 HKAAMN Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000027661952 558677959 /nfs/dbraw/zinc/67/79/59/558677959.db2.gz GGRUXDTWIGOMFS-JOCHJYFZSA-N 0 1 414.977 5.104 50 0 HKAAMN Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000027661954 558677994 /nfs/dbraw/zinc/67/79/94/558677994.db2.gz GGRUXDTWIGOMFS-QFIPXVFZSA-N 0 1 414.977 5.104 50 0 HKAAMN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027663611 558678947 /nfs/dbraw/zinc/67/89/47/558678947.db2.gz VJOWENYIUQENIL-OAQYLSRUSA-N 0 1 410.945 5.660 50 0 HKAAMN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027663613 558679004 /nfs/dbraw/zinc/67/90/04/558679004.db2.gz VJOWENYIUQENIL-NRFANRHFSA-N 0 1 410.945 5.660 50 0 HKAAMN Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027664524 558679672 /nfs/dbraw/zinc/67/96/72/558679672.db2.gz IGNVMYKXEJOSQN-JOCHJYFZSA-N 0 1 414.977 5.069 50 0 HKAAMN Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027664525 558679638 /nfs/dbraw/zinc/67/96/38/558679638.db2.gz IGNVMYKXEJOSQN-QFIPXVFZSA-N 0 1 414.977 5.069 50 0 HKAAMN Cc1cccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)c1C ZINC000027664542 558679695 /nfs/dbraw/zinc/67/96/95/558679695.db2.gz DOOPKWSASHHIHM-JOCHJYFZSA-N 0 1 414.977 5.069 50 0 HKAAMN Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)c1C ZINC000027664543 558679663 /nfs/dbraw/zinc/67/96/63/558679663.db2.gz DOOPKWSASHHIHM-QFIPXVFZSA-N 0 1 414.977 5.069 50 0 HKAAMN Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027664669 558679825 /nfs/dbraw/zinc/67/98/25/558679825.db2.gz ICLWYTJGSATPSS-OAQYLSRUSA-N 0 1 410.945 5.742 50 0 HKAAMN Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027664670 558679875 /nfs/dbraw/zinc/67/98/75/558679875.db2.gz ICLWYTJGSATPSS-NRFANRHFSA-N 0 1 410.945 5.742 50 0 HKAAMN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCC1 ZINC000027664683 558679892 /nfs/dbraw/zinc/67/98/92/558679892.db2.gz HKNBFAGTYLEOJF-QGZVFWFLSA-N 0 1 402.947 5.413 50 0 HKAAMN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000027664684 558679832 /nfs/dbraw/zinc/67/98/32/558679832.db2.gz HKNBFAGTYLEOJF-KRWDZBQOSA-N 0 1 402.947 5.413 50 0 HKAAMN Cc1cccc(CSc2nnc(NC(=O)c3cc(-c4ccccc4)on3)s2)c1 ZINC000027989763 558688134 /nfs/dbraw/zinc/68/81/34/558688134.db2.gz QRHWBGCNIRBNDO-UHFFFAOYSA-N 0 1 408.508 5.046 50 0 HKAAMN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027991502 558688250 /nfs/dbraw/zinc/68/82/50/558688250.db2.gz YGTMODWQRRVQIX-JOCHJYFZSA-N 0 1 424.972 5.968 50 0 HKAAMN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027991508 558688320 /nfs/dbraw/zinc/68/83/20/558688320.db2.gz YGTMODWQRRVQIX-QFIPXVFZSA-N 0 1 424.972 5.968 50 0 HKAAMN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCC1 ZINC000027991534 558688233 /nfs/dbraw/zinc/68/82/33/558688233.db2.gz ZEOMDWSAHNAJHL-GOSISDBHSA-N 0 1 416.974 5.722 50 0 HKAAMN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000027991540 558688283 /nfs/dbraw/zinc/68/82/83/558688283.db2.gz ZEOMDWSAHNAJHL-SFHVURJKSA-N 0 1 416.974 5.722 50 0 HKAAMN Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027994043 558688924 /nfs/dbraw/zinc/68/89/24/558688924.db2.gz ZIXAXSPDRNRZQH-JOCHJYFZSA-N 0 1 404.554 5.623 50 0 HKAAMN Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027994046 558688939 /nfs/dbraw/zinc/68/89/39/558688939.db2.gz ZIXAXSPDRNRZQH-QFIPXVFZSA-N 0 1 404.554 5.623 50 0 HKAAMN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 ZINC000028287359 558694676 /nfs/dbraw/zinc/69/46/76/558694676.db2.gz PMAOXIVHMLWQON-HSZRJFAPSA-N 0 1 404.554 5.623 50 0 HKAAMN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 ZINC000028287362 558694670 /nfs/dbraw/zinc/69/46/70/558694670.db2.gz PMAOXIVHMLWQON-QHCPKHFHSA-N 0 1 404.554 5.623 50 0 HKAAMN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000028288053 558695190 /nfs/dbraw/zinc/69/51/90/558695190.db2.gz LDFZVPXLPKGFOP-QGZVFWFLSA-N 0 1 402.947 5.331 50 0 HKAAMN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000028288056 558695126 /nfs/dbraw/zinc/69/51/26/558695126.db2.gz LDFZVPXLPKGFOP-KRWDZBQOSA-N 0 1 402.947 5.331 50 0 HKAAMN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028289184 558696076 /nfs/dbraw/zinc/69/60/76/558696076.db2.gz GTJVAOZGFSSYCR-JOCHJYFZSA-N 0 1 422.544 5.745 50 0 HKAAMN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028289186 558696102 /nfs/dbraw/zinc/69/61/02/558696102.db2.gz GTJVAOZGFSSYCR-QFIPXVFZSA-N 0 1 422.544 5.745 50 0 HKAAMN Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028289693 558696261 /nfs/dbraw/zinc/69/62/61/558696261.db2.gz GQSDVOQPQSOPFL-JOCHJYFZSA-N 0 1 404.554 5.606 50 0 HKAAMN Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028289696 558696268 /nfs/dbraw/zinc/69/62/68/558696268.db2.gz GQSDVOQPQSOPFL-QFIPXVFZSA-N 0 1 404.554 5.606 50 0 HKAAMN Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000028290148 558696703 /nfs/dbraw/zinc/69/67/03/558696703.db2.gz VOZWALMLEIONQF-JOCHJYFZSA-N 0 1 424.972 6.050 50 0 HKAAMN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000028290151 558696736 /nfs/dbraw/zinc/69/67/36/558696736.db2.gz VOZWALMLEIONQF-QFIPXVFZSA-N 0 1 424.972 6.050 50 0 HKAAMN Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028290333 558696677 /nfs/dbraw/zinc/69/66/77/558696677.db2.gz LFFGQHJSWSNQPE-HSZRJFAPSA-N 0 1 418.581 5.914 50 0 HKAAMN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028290336 558696696 /nfs/dbraw/zinc/69/66/96/558696696.db2.gz LFFGQHJSWSNQPE-QHCPKHFHSA-N 0 1 418.581 5.914 50 0 HKAAMN Cc1ccc(-c2nsc(NC(=O)c3cc(-c4ccc5c(c4)CCCC5)on3)n2)s1 ZINC000028291181 558697371 /nfs/dbraw/zinc/69/73/71/558697371.db2.gz CSVWVLVCKZUPHA-UHFFFAOYSA-N 0 1 422.535 5.361 50 0 HKAAMN Cc1ccc(-c2nsc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)n2)s1 ZINC000028291184 558697365 /nfs/dbraw/zinc/69/73/65/558697365.db2.gz JNBRNXWSMUSMRP-UHFFFAOYSA-N 0 1 402.888 5.136 50 0 HKAAMN Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028291254 558697401 /nfs/dbraw/zinc/69/74/01/558697401.db2.gz UPRDQEMOAUEHOF-HSZRJFAPSA-N 0 1 418.581 5.914 50 0 HKAAMN Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028291257 558697322 /nfs/dbraw/zinc/69/73/22/558697322.db2.gz UPRDQEMOAUEHOF-QHCPKHFHSA-N 0 1 418.581 5.914 50 0 HKAAMN CC(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1 ZINC000028291843 558697844 /nfs/dbraw/zinc/69/78/44/558697844.db2.gz RSOGVNYDSCGQCJ-OAQYLSRUSA-N 0 1 423.582 5.484 50 0 HKAAMN CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1 ZINC000028291846 558697798 /nfs/dbraw/zinc/69/77/98/558697798.db2.gz RSOGVNYDSCGQCJ-NRFANRHFSA-N 0 1 423.582 5.484 50 0 HKAAMN Cc1ccc2c(c1)sc(C(=O)NC[C@H](c1ccccc1)N1CCCCC1)c2Cl ZINC000028292465 558698174 /nfs/dbraw/zinc/69/81/74/558698174.db2.gz UANUJAHCIKIGMK-LJQANCHMSA-N 0 1 412.986 5.820 50 0 HKAAMN Cc1ccc2c(c1)sc(C(=O)NC[C@@H](c1ccccc1)N1CCCCC1)c2Cl ZINC000028292467 558698106 /nfs/dbraw/zinc/69/81/06/558698106.db2.gz UANUJAHCIKIGMK-IBGZPJMESA-N 0 1 412.986 5.820 50 0 HKAAMN Clc1ccc(-c2nc(CSc3nc(C=Cc4cccs4)n[nH]3)no2)cc1 ZINC000029395838 558714648 /nfs/dbraw/zinc/71/46/48/558714648.db2.gz MKQICRVSCBHPDZ-BQYQJAHWSA-N 0 1 401.904 5.032 50 0 HKAAMN Cc1nc(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)co1 ZINC000029433346 558715173 /nfs/dbraw/zinc/71/51/73/558715173.db2.gz AYAWITBHMVAARY-UHFFFAOYSA-N 0 1 416.808 5.123 50 0 HKAAMN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(O)c(Cl)c1 ZINC000029793815 558721029 /nfs/dbraw/zinc/72/10/29/558721029.db2.gz YMANHEWLIKCKAT-UHFFFAOYSA-N 0 1 412.820 5.364 50 0 HKAAMN O=C(Cc1cccs1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000029957204 558724913 /nfs/dbraw/zinc/72/49/13/558724913.db2.gz GXTZNDRJSSIEDK-IBGZPJMESA-N 0 1 415.440 5.092 50 0 HKAAMN O=C(Cc1cccs1)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000029957206 558724775 /nfs/dbraw/zinc/72/47/75/558724775.db2.gz GXTZNDRJSSIEDK-LJQANCHMSA-N 0 1 415.440 5.092 50 0 HKAAMN COc1ccc(CN(Cc2nc(-c3ccco3)no2)[C@@H](C)Cc2cccs2)cc1 ZINC000029967515 558724831 /nfs/dbraw/zinc/72/48/31/558724831.db2.gz YZTOKXZYFOXOJR-INIZCTEOSA-N 0 1 409.511 5.033 50 0 HKAAMN COc1ccc(CN(Cc2nc(-c3ccco3)no2)[C@H](C)Cc2cccs2)cc1 ZINC000029967520 558724863 /nfs/dbraw/zinc/72/48/63/558724863.db2.gz YZTOKXZYFOXOJR-MRXNPFEDSA-N 0 1 409.511 5.033 50 0 HKAAMN COc1ccc(CNCc2ccc(Cl)cc2Cl)cc1OCc1cccnc1 ZINC000030543973 558732178 /nfs/dbraw/zinc/73/21/78/558732178.db2.gz PJIDWBVWHUVZCY-UHFFFAOYSA-N 0 1 403.309 5.266 50 0 HKAAMN CCC(=O)Nc1ccc([C@@H](C)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000030641070 568878457 /nfs/dbraw/zinc/87/84/57/568878457.db2.gz KXWDNWVFIWBIKE-OAHLLOKOSA-N 0 1 405.523 5.756 50 0 HKAAMN CCC(=O)Nc1ccc([C@H](C)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000030641073 568878555 /nfs/dbraw/zinc/87/85/55/568878555.db2.gz KXWDNWVFIWBIKE-HNNXBMFYSA-N 0 1 405.523 5.756 50 0 HKAAMN Oc1ccccc1-c1nc(/C=C/c2ccccc2)nc(Nc2nc3ccccc3[nH]2)n1 ZINC000030947680 558746769 /nfs/dbraw/zinc/74/67/69/558746769.db2.gz RAIWPUFHCQTMOA-CCEZHUSRSA-N 0 1 406.449 5.035 50 0 HKAAMN Cc1ccc(N2Cc3ccccc3/C(=C\c3ccc(Br)cc3)C2=N)cc1 ZINC000031776098 568931061 /nfs/dbraw/zinc/93/10/61/568931061.db2.gz HRZAHSUHRQYXPT-GURWGSMISA-N 0 1 403.323 6.296 50 0 HKAAMN c1ccc(C(c2ccccc2)N2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000031806748 568931718 /nfs/dbraw/zinc/93/17/18/568931718.db2.gz UCXKNHDMLSWGBE-UHFFFAOYSA-N 0 1 420.516 5.288 50 0 HKAAMN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000031815178 525447362 /nfs/dbraw/zinc/44/73/62/525447362.db2.gz UKUTVZZBLMWKBI-QVKFZJNVSA-N 0 1 405.523 5.091 50 0 HKAAMN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000031815183 525447733 /nfs/dbraw/zinc/44/77/33/525447733.db2.gz UKUTVZZBLMWKBI-VFNWGFHPSA-N 0 1 405.523 5.091 50 0 HKAAMN Cc1ccc2nc(-c3c(N)c(C(=O)c4ccc(Cl)cc4)n4ccccc34)[nH]c2c1 ZINC000031848297 526240499 /nfs/dbraw/zinc/24/04/99/526240499.db2.gz AJUYLUANDZHNBL-UHFFFAOYSA-N 0 1 400.869 5.258 50 0 HKAAMN c1csc(-c2csc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)c1 ZINC000032109940 526574375 /nfs/dbraw/zinc/57/43/75/526574375.db2.gz QQGPKRKJVXBZBZ-UHFFFAOYSA-N 0 1 417.603 5.783 50 0 HKAAMN CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N2CCCCC2)cc1 ZINC000032622143 524029600 /nfs/dbraw/zinc/02/96/00/524029600.db2.gz UIGGLQZFAUZKDH-XMMPIXPASA-N 0 1 417.553 5.169 50 0 HKAAMN CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N2CCCCC2)cc1 ZINC000032622145 524048849 /nfs/dbraw/zinc/04/88/49/524048849.db2.gz UIGGLQZFAUZKDH-DEOSSOPVSA-N 0 1 417.553 5.169 50 0 HKAAMN O=C(NC[C@H](c1cccs1)N1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622155 526581904 /nfs/dbraw/zinc/58/19/04/526581904.db2.gz GJFGPVAWUNADFG-GOSISDBHSA-N 0 1 415.946 5.014 50 0 HKAAMN O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622157 526493693 /nfs/dbraw/zinc/49/36/93/526493693.db2.gz GJFGPVAWUNADFG-SFHVURJKSA-N 0 1 415.946 5.014 50 0 HKAAMN CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCC2)cc1 ZINC000032622333 519048718 /nfs/dbraw/zinc/04/87/18/519048718.db2.gz DPQBAHRKBCLUMK-HSZRJFAPSA-N 0 1 417.553 5.206 50 0 HKAAMN CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCC2)cc1 ZINC000032622335 519049456 /nfs/dbraw/zinc/04/94/56/519049456.db2.gz DPQBAHRKBCLUMK-QHCPKHFHSA-N 0 1 417.553 5.206 50 0 HKAAMN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCC(C)CC2)o1 ZINC000032622956 525956843 /nfs/dbraw/zinc/95/68/43/525956843.db2.gz UFWLVSQNVQTLKM-QFIPXVFZSA-N 0 1 421.541 5.063 50 0 HKAAMN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCC(C)CC2)o1 ZINC000032622958 525762146 /nfs/dbraw/zinc/76/21/46/525762146.db2.gz UFWLVSQNVQTLKM-JOCHJYFZSA-N 0 1 421.541 5.063 50 0 HKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NC1CCCCC1 ZINC000032690908 527156754 /nfs/dbraw/zinc/15/67/54/527156754.db2.gz ANMCDQHFGWEVEO-ICZBVKINSA-N 0 1 420.320 7.662 50 0 HKAAMN CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccc(C)cc4[nH]3)ccc21 ZINC000032692411 523275951 /nfs/dbraw/zinc/27/59/51/523275951.db2.gz CSKCVSKHSMFWKK-UHFFFAOYSA-N 0 1 414.534 5.730 50 0 HKAAMN COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3Cl)o2)N2CCCC2)cc1 ZINC000032732007 525185834 /nfs/dbraw/zinc/18/58/34/525185834.db2.gz BWNYMWXRMJNYHR-OAQYLSRUSA-N 0 1 424.928 5.176 50 0 HKAAMN COc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3Cl)o2)N2CCCC2)cc1 ZINC000032732010 525358597 /nfs/dbraw/zinc/35/85/97/525358597.db2.gz BWNYMWXRMJNYHR-NRFANRHFSA-N 0 1 424.928 5.176 50 0 HKAAMN CC(C)Cc1ccc([C@@H](NCc2nc(=O)c3c4c(sc3[nH]2)CCC4)C(C)C)cc1 ZINC000032759974 519445604 /nfs/dbraw/zinc/44/56/04/519445604.db2.gz LIEKIJJPFLTAPW-QFIPXVFZSA-N 0 1 409.599 5.159 50 0 HKAAMN CC(C)Cc1ccc([C@H](NCc2nc(=O)c3c4c(sc3[nH]2)CCC4)C(C)C)cc1 ZINC000032759977 519450805 /nfs/dbraw/zinc/45/08/05/519450805.db2.gz LIEKIJJPFLTAPW-JOCHJYFZSA-N 0 1 409.599 5.159 50 0 HKAAMN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=S)n3-c3ccccc3)C2)cc1 ZINC000032919384 519015019 /nfs/dbraw/zinc/01/50/19/519015019.db2.gz GYYCAKSNMPTWFL-GOSISDBHSA-N 0 1 420.582 5.247 50 0 HKAAMN CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=S)n3-c3ccccc3)C2)cc1 ZINC000032919386 519015773 /nfs/dbraw/zinc/01/57/73/519015773.db2.gz GYYCAKSNMPTWFL-SFHVURJKSA-N 0 1 420.582 5.247 50 0 HKAAMN COc1ccc(-c2nc(CSc3nc(-c4ccc(C)cc4)n[nH]3)cs2)cc1OC ZINC000032944907 523214839 /nfs/dbraw/zinc/21/48/39/523214839.db2.gz YHGGQQPFXYVLEW-UHFFFAOYSA-N 0 1 424.551 5.213 50 0 HKAAMN Cc1cccc(CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)c1 ZINC000032948403 524463302 /nfs/dbraw/zinc/46/33/02/524463302.db2.gz XYCWZRLNZYCXOJ-UHFFFAOYSA-N 0 1 411.577 5.414 50 0 HKAAMN Cc1ccc(C)c(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)c1 ZINC000032948513 524108454 /nfs/dbraw/zinc/10/84/54/524108454.db2.gz VSXJDPIIHGFBMU-UHFFFAOYSA-N 0 1 411.577 5.414 50 0 HKAAMN Cc1ccc(-n2c3nc(SCc4cccc(C)c4)[nH]c(=O)c3sc2=S)cc1 ZINC000032948581 525902996 /nfs/dbraw/zinc/90/29/96/525902996.db2.gz FHENKTSUWHKIAD-UHFFFAOYSA-N 0 1 411.577 5.414 50 0 HKAAMN Cc1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c1C ZINC000032954377 524603099 /nfs/dbraw/zinc/60/30/99/524603099.db2.gz AYYMOQJTYYXQRI-UHFFFAOYSA-N 0 1 407.326 5.126 50 0 HKAAMN Cc1cccc(C)c1NC(=O)CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000032957645 524282774 /nfs/dbraw/zinc/28/27/74/524282774.db2.gz LTFHYSPZIBOADK-UHFFFAOYSA-N 0 1 407.326 5.126 50 0 HKAAMN COc1ccc(CCC(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000032960938 523926710 /nfs/dbraw/zinc/92/67/10/523926710.db2.gz ZIKGHTRKXBZXID-UHFFFAOYSA-N 0 1 413.521 5.236 50 0 HKAAMN Cc1ccc2nc(CCc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)[nH]c2c1 ZINC000032960966 526099046 /nfs/dbraw/zinc/09/90/46/526099046.db2.gz FFGFWISJFYLBFP-UHFFFAOYSA-N 0 1 419.912 5.327 50 0 HKAAMN CN(C)[C@@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccs1 ZINC000032970898 522024667 /nfs/dbraw/zinc/02/46/67/522024667.db2.gz LZVSWGHCBSKBLI-HNNXBMFYSA-N 0 1 408.445 5.060 50 0 HKAAMN CN(C)[C@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccs1 ZINC000032970899 522083796 /nfs/dbraw/zinc/08/37/96/522083796.db2.gz LZVSWGHCBSKBLI-OAHLLOKOSA-N 0 1 408.445 5.060 50 0 HKAAMN CSc1ccc(Cl)c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 ZINC000032983113 558804196 /nfs/dbraw/zinc/80/41/96/558804196.db2.gz PBBSWXYNMUAAHP-GOSISDBHSA-N 0 1 409.020 5.326 50 0 HKAAMN CSc1ccc(Cl)c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 ZINC000032983114 558804200 /nfs/dbraw/zinc/80/42/00/558804200.db2.gz PBBSWXYNMUAAHP-SFHVURJKSA-N 0 1 409.020 5.326 50 0 HKAAMN Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000032988515 558808247 /nfs/dbraw/zinc/80/82/47/558808247.db2.gz VUTZBMQXFZGCCV-XMMPIXPASA-N 0 1 421.972 5.001 50 0 HKAAMN Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000032988517 568510710 /nfs/dbraw/zinc/51/07/10/568510710.db2.gz VUTZBMQXFZGCCV-DEOSSOPVSA-N 0 1 421.972 5.001 50 0 HKAAMN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)oc3ccc(OC)cc23)cc1 ZINC000033018710 558759988 /nfs/dbraw/zinc/75/99/88/558759988.db2.gz GOCYPXMVHFDZAE-UHFFFAOYSA-N 0 1 415.489 5.013 50 0 HKAAMN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1cc(-c2cccs2)n[nH]1 ZINC000033019619 558836149 /nfs/dbraw/zinc/83/61/49/558836149.db2.gz MAVXSGIBQIPWHW-UHFFFAOYSA-N 0 1 413.506 5.052 50 0 HKAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000033020616 558836810 /nfs/dbraw/zinc/83/68/10/558836810.db2.gz IYPRGZKOYZJPFM-UHFFFAOYSA-N 0 1 414.896 5.735 50 0 HKAAMN O=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccccc1C(F)(F)F ZINC000033025723 568510544 /nfs/dbraw/zinc/51/05/44/568510544.db2.gz FBQIZCWMVXWVLG-UHFFFAOYSA-N 0 1 416.424 5.655 50 0 HKAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000033025735 558846595 /nfs/dbraw/zinc/84/65/95/558846595.db2.gz CKFWNSZOGTXBIX-UHFFFAOYSA-N 0 1 412.898 5.298 50 0 HKAAMN O=S(=O)(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000033025844 558846742 /nfs/dbraw/zinc/84/67/42/558846742.db2.gz LVBAQWDDVYMQGF-UHFFFAOYSA-N 0 1 400.862 5.428 50 0 HKAAMN CC[C@@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(C)cc1 ZINC000033040124 558869471 /nfs/dbraw/zinc/86/94/71/558869471.db2.gz FDCFTFYWRQSVIN-LJQANCHMSA-N 0 1 423.969 5.854 50 0 HKAAMN CC[C@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(C)cc1 ZINC000033040125 558869531 /nfs/dbraw/zinc/86/95/31/558869531.db2.gz FDCFTFYWRQSVIN-IBGZPJMESA-N 0 1 423.969 5.854 50 0 HKAAMN O=C(c1ccc2noc(-c3ccc(Cl)cc3)c2c1)N1CCN(C2CCCCC2)CC1 ZINC000033058223 558942291 /nfs/dbraw/zinc/94/22/91/558942291.db2.gz CQHSXDUOASMMBD-UHFFFAOYSA-N 0 1 423.944 5.239 50 0 HKAAMN Cc1csc2nc(CN(Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc(=O)n12 ZINC000033069041 558982986 /nfs/dbraw/zinc/98/29/86/558982986.db2.gz BQYGQZQYLUFJGD-UHFFFAOYSA-N 0 1 417.578 5.390 50 0 HKAAMN CCC[C@@H](NC(=O)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1)c1cccs1 ZINC000033071180 568511090 /nfs/dbraw/zinc/51/10/90/568511090.db2.gz JIGMVKIZWYQHQN-QGZVFWFLSA-N 0 1 416.978 5.152 50 0 HKAAMN CCC[C@H](NC(=O)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1)c1cccs1 ZINC000033071182 558866577 /nfs/dbraw/zinc/86/65/77/558866577.db2.gz JIGMVKIZWYQHQN-KRWDZBQOSA-N 0 1 416.978 5.152 50 0 HKAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1 ZINC000033106119 558873849 /nfs/dbraw/zinc/87/38/49/558873849.db2.gz QBBOREXIBPRYNO-UHFFFAOYSA-N 0 1 412.898 5.298 50 0 HKAAMN CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)cc1 ZINC000033113769 558875438 /nfs/dbraw/zinc/87/54/38/558875438.db2.gz CEOUZENNJZDJHM-UHFFFAOYSA-N 0 1 416.502 5.214 50 0 HKAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3ccccc3n2)c1 ZINC000033113824 568511580 /nfs/dbraw/zinc/51/15/80/568511580.db2.gz BYUZHFSAVKWHQO-UHFFFAOYSA-N 0 1 424.909 5.365 50 0 HKAAMN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1Cl ZINC000033124017 558880020 /nfs/dbraw/zinc/88/00/20/558880020.db2.gz RACUBSSPMNXMNA-UHFFFAOYSA-N 0 1 400.912 5.418 50 0 HKAAMN CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(C)c3)cc2n1 ZINC000033126253 558883946 /nfs/dbraw/zinc/88/39/46/558883946.db2.gz QWQMNVWDFKLUTQ-UHFFFAOYSA-N 0 1 420.944 5.064 50 0 HKAAMN CCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2[n-]c(-c3ccccc3)cc2n1 ZINC000033126320 558883955 /nfs/dbraw/zinc/88/39/55/558883955.db2.gz NOADIUVLKXFOQP-UHFFFAOYSA-N 0 1 414.553 5.225 50 0 HKAAMN CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(C)cc3)cc2n1 ZINC000033126340 558884031 /nfs/dbraw/zinc/88/40/31/558884031.db2.gz ZLEUVLCWSHHTSI-UHFFFAOYSA-N 0 1 420.944 5.064 50 0 HKAAMN CC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(C)cc3)cc2n1 ZINC000033126355 558883961 /nfs/dbraw/zinc/88/39/61/558883961.db2.gz PMJUNKCLRUVCIA-UHFFFAOYSA-N 0 1 414.553 5.144 50 0 HKAAMN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccccc1Cl ZINC000033169126 526054720 /nfs/dbraw/zinc/05/47/20/526054720.db2.gz QCTYKDNQMJUGAT-UHFFFAOYSA-N 0 1 414.939 5.726 50 0 HKAAMN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(F)cc1Cl ZINC000033169143 527246865 /nfs/dbraw/zinc/24/68/65/527246865.db2.gz JCYXTVIMZXPUPA-UHFFFAOYSA-N 0 1 418.902 5.557 50 0 HKAAMN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(F)cc(F)c1 ZINC000033169149 527247173 /nfs/dbraw/zinc/24/71/73/527247173.db2.gz NYDGLOKXSNOYRM-UHFFFAOYSA-N 0 1 402.447 5.042 50 0 HKAAMN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)sc2c1 ZINC000033169165 526242093 /nfs/dbraw/zinc/24/20/93/526242093.db2.gz FDAWTOITCBKIMA-UHFFFAOYSA-N 0 1 414.939 5.726 50 0 HKAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c(C)s2)n1 ZINC000033169438 558902782 /nfs/dbraw/zinc/90/27/82/558902782.db2.gz WGEOGUSTAQTRTE-UHFFFAOYSA-N 0 1 418.487 5.308 50 0 HKAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c(C)s2)n1 ZINC000033169454 558902720 /nfs/dbraw/zinc/90/27/20/558902720.db2.gz IDMXHHKHOAHYTF-UHFFFAOYSA-N 0 1 418.487 5.308 50 0 HKAAMN CSc1cccc(NS(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)c1 ZINC000033169483 558902788 /nfs/dbraw/zinc/90/27/88/558902788.db2.gz PMNRNWQXJSCFRF-UHFFFAOYSA-N 0 1 410.611 5.320 50 0 HKAAMN CCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268804 558993145 /nfs/dbraw/zinc/99/31/45/558993145.db2.gz BXLYXJLSFQVQIH-UHFFFAOYSA-N 0 1 409.942 5.099 50 0 HKAAMN CCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268808 558993108 /nfs/dbraw/zinc/99/31/08/558993108.db2.gz DBOWXWPSWCKQNF-UHFFFAOYSA-N 0 1 423.969 5.489 50 0 HKAAMN CCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268849 558993185 /nfs/dbraw/zinc/99/31/85/558993185.db2.gz FYFIWQIENIKLDM-UHFFFAOYSA-N 0 1 417.578 5.569 50 0 HKAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3cc(C)nc4ccccc43)c(C)s2)n1 ZINC000033289944 571316125 /nfs/dbraw/zinc/31/61/25/571316125.db2.gz YEGUNSIWYUFUCL-UHFFFAOYSA-N 0 1 415.565 5.146 50 0 HKAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)s2)n1 ZINC000033289992 559046999 /nfs/dbraw/zinc/04/69/99/559046999.db2.gz JXNIMGSXUJXLMW-UHFFFAOYSA-N 0 1 402.925 5.082 50 0 HKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)c(C)s2)sc1C ZINC000033290027 559047016 /nfs/dbraw/zinc/04/70/16/559047016.db2.gz VNFFDAUEBGVIKE-UHFFFAOYSA-N 0 1 412.989 5.559 50 0 HKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cc(Cl)ccc3C)c(C)s2)sc1C ZINC000033290028 559047056 /nfs/dbraw/zinc/04/70/56/559047056.db2.gz YQZVTYPAIKKNAZ-UHFFFAOYSA-N 0 1 412.989 5.559 50 0 HKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3C)c(C)s2)sc1C ZINC000033290058 559047062 /nfs/dbraw/zinc/04/70/62/559047062.db2.gz QUUORTZMTBJIQT-UHFFFAOYSA-N 0 1 412.989 5.559 50 0 HKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c(C)s2)sc1C ZINC000033290059 568513650 /nfs/dbraw/zinc/51/36/50/568513650.db2.gz ZMSNAVHGDGEQKC-UHFFFAOYSA-N 0 1 412.989 5.559 50 0 HKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)s2)sc1C ZINC000033290087 559047023 /nfs/dbraw/zinc/04/70/23/559047023.db2.gz BTXVCUIUNQMTFL-UHFFFAOYSA-N 0 1 416.952 5.390 50 0 HKAAMN CC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)cc1 ZINC000033290116 559047203 /nfs/dbraw/zinc/04/72/03/559047203.db2.gz CXQYMNPRINNUKM-UHFFFAOYSA-N 0 1 420.581 5.307 50 0 HKAAMN COc1cccc(NS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)c1 ZINC000033290117 559047177 /nfs/dbraw/zinc/04/71/77/559047177.db2.gz NERVYJVWZBSOFV-UHFFFAOYSA-N 0 1 408.570 5.113 50 0 HKAAMN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000033290119 559047209 /nfs/dbraw/zinc/04/72/09/559047209.db2.gz PGFMKXPZHCWHKI-UHFFFAOYSA-N 0 1 412.989 5.758 50 0 HKAAMN CCc1ccccc1NS(=O)(=O)c1cc(-c2nc(C(C)C)cs2)sc1C ZINC000033290123 559047212 /nfs/dbraw/zinc/04/72/12/559047212.db2.gz STPWWTRIXDQGJD-UHFFFAOYSA-N 0 1 406.598 5.667 50 0 HKAAMN CCc1cccc(NS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)c1 ZINC000033290147 559047162 /nfs/dbraw/zinc/04/71/62/559047162.db2.gz NQHBQBGZRBHENV-UHFFFAOYSA-N 0 1 406.598 5.667 50 0 HKAAMN O=C1S/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccc(Cl)cc1 ZINC000033293770 559048697 /nfs/dbraw/zinc/04/86/97/559048697.db2.gz MYTMWQCAMDTTEW-AWNIVKPZSA-N 0 1 400.670 5.593 50 0 HKAAMN Cc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c(F)c1 ZINC000033297816 559047743 /nfs/dbraw/zinc/04/77/43/559047743.db2.gz XZHHWKNSQDLGTQ-UHFFFAOYSA-N 0 1 410.561 5.417 50 0 HKAAMN Cc1ccc(F)c(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1 ZINC000033297817 559047728 /nfs/dbraw/zinc/04/77/28/559047728.db2.gz FBXWTUQOFUVTSE-UHFFFAOYSA-N 0 1 410.561 5.417 50 0 HKAAMN CCSc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc2s1 ZINC000033298831 559048041 /nfs/dbraw/zinc/04/80/41/559048041.db2.gz SJJPJCXTMVMRJK-UHFFFAOYSA-N 0 1 402.925 5.002 50 0 HKAAMN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000033299232 559050479 /nfs/dbraw/zinc/05/04/79/559050479.db2.gz FZRJKKXTOBUALI-UHFFFAOYSA-N 0 1 422.837 5.185 50 0 HKAAMN CCc1ccccc1NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)sc1C ZINC000033299243 559050623 /nfs/dbraw/zinc/05/06/23/559050623.db2.gz NBRSCHLVRXHGQE-UHFFFAOYSA-N 0 1 416.446 5.094 50 0 HKAAMN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000033299275 559049269 /nfs/dbraw/zinc/04/92/69/559049269.db2.gz PZMWSMWYRWUGSV-UHFFFAOYSA-N 0 1 416.446 5.148 50 0 HKAAMN Cc1sc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1-c1cc(C(F)(F)F)on1 ZINC000033299389 559049363 /nfs/dbraw/zinc/04/93/63/559049363.db2.gz FIWBZMQCXCTSPF-UHFFFAOYSA-N 0 1 416.446 5.148 50 0 HKAAMN Cc1sc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1-c1cc(C(F)(F)F)on1 ZINC000033299394 559049373 /nfs/dbraw/zinc/04/93/73/559049373.db2.gz JWKOISLYPSEFLP-UHFFFAOYSA-N 0 1 416.446 5.148 50 0 HKAAMN Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1C ZINC000033306733 559051740 /nfs/dbraw/zinc/05/17/40/559051740.db2.gz VICSZVOJIYIQCW-UHFFFAOYSA-N 0 1 409.964 5.135 50 0 HKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)s2)cs1 ZINC000033308409 559052508 /nfs/dbraw/zinc/05/25/08/559052508.db2.gz OURCXBKTLBGECX-UHFFFAOYSA-N 0 1 402.925 5.082 50 0 HKAAMN CCc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)c(C)s2)cs1 ZINC000033308434 559052587 /nfs/dbraw/zinc/05/25/87/559052587.db2.gz FYNODBBKYOTPAE-UHFFFAOYSA-N 0 1 412.989 5.505 50 0 HKAAMN CCc1nc(-c2cc(S(=O)(=O)Nc3cc(Cl)ccc3C)c(C)s2)cs1 ZINC000033308435 559052592 /nfs/dbraw/zinc/05/25/92/559052592.db2.gz CDYHXSZATKROSN-UHFFFAOYSA-N 0 1 412.989 5.505 50 0 HKAAMN CCc1nc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3C)c(C)s2)cs1 ZINC000033308441 559052590 /nfs/dbraw/zinc/05/25/90/559052590.db2.gz UIZJYWOUIXULTF-UHFFFAOYSA-N 0 1 412.989 5.505 50 0 HKAAMN CCn1c2ccccc2c2cc(CN3CCN(C/C=C\c4ccccc4)CC3)ccc21 ZINC000033339321 559064783 /nfs/dbraw/zinc/06/47/83/559064783.db2.gz HPSARTYEDBFIGM-FLIBITNWSA-N 0 1 409.577 5.645 50 0 HKAAMN CN1CCN([P@@](=O)(/C=C(/Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)CC1 ZINC000033402533 568697186 /nfs/dbraw/zinc/69/71/86/568697186.db2.gz DFHLWTZISUGNQT-ARHRGINZSA-N 0 1 421.308 5.987 50 0 HKAAMN COc1cccc(CN(Cc2cccn2Cc2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000033651374 559226141 /nfs/dbraw/zinc/22/61/41/559226141.db2.gz WSVWXAFMJOHYFE-UHFFFAOYSA-N 0 1 414.471 5.728 50 0 HKAAMN CC(C)(C)Cn1c(N)nc2ccc(-c3nc(C(C)(C)C)[nH]c3-c3ccc(F)cc3)nc21 ZINC000034630490 571316374 /nfs/dbraw/zinc/31/63/74/571316374.db2.gz XPPBBJCBDOEXDN-UHFFFAOYSA-N 0 1 420.536 5.553 50 0 investigational HKAAMN Cc1ccc(CN(CCC(C)C)Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)o2)s1 ZINC000034670189 557363101 /nfs/dbraw/zinc/36/31/01/557363101.db2.gz BTHXNZDDJUXMQC-FQEVSTJZSA-N 0 1 424.610 6.189 50 0 HKAAMN Cc1ccc(CN(CCC(C)C)Cc2ccc(C(=O)N[C@H](C)c3ccccc3)o2)s1 ZINC000034670191 557363077 /nfs/dbraw/zinc/36/30/77/557363077.db2.gz BTHXNZDDJUXMQC-HXUWFJFHSA-N 0 1 424.610 6.189 50 0 HKAAMN CCOC(=O)[C@@H]1CCCN(Cc2cncc(-c3ccc(-c4ccccc4)cc3)c2)C1 ZINC000034670370 557363086 /nfs/dbraw/zinc/36/30/86/557363086.db2.gz UHWQVNYYEARZQB-XMMPIXPASA-N 0 1 400.522 5.191 50 0 HKAAMN CCOC(=O)[C@H]1CCCN(Cc2cncc(-c3ccc(-c4ccccc4)cc3)c2)C1 ZINC000034670372 557363106 /nfs/dbraw/zinc/36/31/06/557363106.db2.gz UHWQVNYYEARZQB-DEOSSOPVSA-N 0 1 400.522 5.191 50 0 HKAAMN O=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034682494 557384017 /nfs/dbraw/zinc/38/40/17/557384017.db2.gz GNDSJDCXUQSLIZ-UHFFFAOYSA-N 0 1 410.970 5.713 50 0 HKAAMN O=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034682530 557384393 /nfs/dbraw/zinc/38/43/93/557384393.db2.gz BGMZWIBNACKGAP-UHFFFAOYSA-N 0 1 404.941 5.651 50 0 HKAAMN O=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000034682535 557384387 /nfs/dbraw/zinc/38/43/87/557384387.db2.gz NLLOBJUKTLHDHF-UHFFFAOYSA-N 0 1 404.941 5.651 50 0 HKAAMN Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000034682544 557384252 /nfs/dbraw/zinc/38/42/52/557384252.db2.gz IGYJMWHVWJGTPF-UHFFFAOYSA-N 0 1 418.968 5.960 50 0 HKAAMN O=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2ccsc2)CC1 ZINC000034682587 557384313 /nfs/dbraw/zinc/38/43/13/557384313.db2.gz HMCRTRLFVCCOOL-UHFFFAOYSA-N 0 1 400.544 5.260 50 0 HKAAMN CC(C)CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034682600 557384243 /nfs/dbraw/zinc/38/42/43/557384243.db2.gz VCTNYLFOISYVNO-UHFFFAOYSA-N 0 1 402.941 5.523 50 0 HKAAMN CC(C)CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000034682602 557384221 /nfs/dbraw/zinc/38/42/21/557384221.db2.gz IDOHBQUDFLVCOQ-UHFFFAOYSA-N 0 1 402.941 5.523 50 0 HKAAMN O=C(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034682625 557384183 /nfs/dbraw/zinc/38/41/83/557384183.db2.gz WAJGPOMKTKHZOW-UHFFFAOYSA-N 0 1 422.931 5.791 50 0 HKAAMN Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccsc3)CC2)cc1 ZINC000034682642 557384227 /nfs/dbraw/zinc/38/42/27/557384227.db2.gz LEUKRRZPQDLEAT-UHFFFAOYSA-N 0 1 408.542 5.507 50 0 HKAAMN O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CCN(Cc2ccncc2)CC1 ZINC000034682664 557384264 /nfs/dbraw/zinc/38/42/64/557384264.db2.gz VQZLWSOKZHTYQO-UHFFFAOYSA-N 0 1 423.919 5.186 50 0 HKAAMN COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccsc3)CC2)c1 ZINC000034682688 557384575 /nfs/dbraw/zinc/38/45/75/557384575.db2.gz QPWSDWFUAGCYBP-UHFFFAOYSA-N 0 1 406.551 5.068 50 0 HKAAMN COc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccsc3)CC2)c1 ZINC000034682697 557384640 /nfs/dbraw/zinc/38/46/40/557384640.db2.gz GQMDHRFXCOJVQJ-UHFFFAOYSA-N 0 1 420.578 5.377 50 0 HKAAMN COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccco3)CC2)c1 ZINC000034682704 557384660 /nfs/dbraw/zinc/38/46/60/557384660.db2.gz UXQSLOQLGXRZNT-UHFFFAOYSA-N 0 1 424.928 5.253 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccsc3)CC2)cc1F ZINC000034682733 557384616 /nfs/dbraw/zinc/38/46/16/557384616.db2.gz XXHXQKWGJMKNMK-UHFFFAOYSA-N 0 1 408.542 5.507 50 0 HKAAMN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034682736 557384590 /nfs/dbraw/zinc/38/45/90/557384590.db2.gz LEQYLBOGZNQHDA-UHFFFAOYSA-N 0 1 402.941 5.585 50 0 HKAAMN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000034682741 557384612 /nfs/dbraw/zinc/38/46/12/557384612.db2.gz UFNWLWFTOWRSMH-UHFFFAOYSA-N 0 1 402.941 5.585 50 0 HKAAMN Cc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CCN(Cc3ccsc3)CC2)c1 ZINC000034682751 557384637 /nfs/dbraw/zinc/38/46/37/557384637.db2.gz JWASNEWIAQGSSH-UHFFFAOYSA-N 0 1 422.569 5.815 50 0 HKAAMN Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccsc3)CC2)c1 ZINC000034682770 557384928 /nfs/dbraw/zinc/38/49/28/557384928.db2.gz QNJQMBXMQXKFLD-UHFFFAOYSA-N 0 1 408.542 5.507 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000034682901 557384882 /nfs/dbraw/zinc/38/48/82/557384882.db2.gz WZEMEMBMHCFKSA-UHFFFAOYSA-N 0 1 408.929 5.553 50 0 HKAAMN COc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccsc3)CC2)cc1 ZINC000034682919 557384998 /nfs/dbraw/zinc/38/49/98/557384998.db2.gz PZOPXXMJNZTROP-UHFFFAOYSA-N 0 1 420.578 5.377 50 0 HKAAMN COc1cccc(CN2CCC(N(C(=O)CC(C)C)c3ccc(C)cc3)CC2)c1OC ZINC000034682924 557385017 /nfs/dbraw/zinc/38/50/17/557385017.db2.gz NLXAYCAOWUSCRJ-UHFFFAOYSA-N 0 1 424.585 5.056 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000034682936 557384892 /nfs/dbraw/zinc/38/48/92/557384892.db2.gz PDCLWAMHXYNIJJ-UHFFFAOYSA-N 0 1 418.968 5.960 50 0 HKAAMN Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccsc3)CC2)cc1 ZINC000034682953 557385275 /nfs/dbraw/zinc/38/52/75/557385275.db2.gz LRRQLSIPWNCQIE-UHFFFAOYSA-N 0 1 404.579 5.676 50 0 HKAAMN Cc1ccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccncc3)CC2)cc1 ZINC000034682975 557385267 /nfs/dbraw/zinc/38/52/67/557385267.db2.gz WVCZOTSEFISXTP-UHFFFAOYSA-N 0 1 419.956 5.355 50 0 HKAAMN Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccsc3)CC2)cc1 ZINC000034683012 557385494 /nfs/dbraw/zinc/38/54/94/557385494.db2.gz YPJADPIHYXLULR-UHFFFAOYSA-N 0 1 404.579 5.676 50 0 HKAAMN Cc1ccc(C(=O)N(c2cccc(C)c2)C2CCN(Cc3ccsc3)CC2)cc1 ZINC000034683034 557385548 /nfs/dbraw/zinc/38/55/48/557385548.db2.gz TUMLDVIIJQVQFB-UHFFFAOYSA-N 0 1 404.579 5.676 50 0 HKAAMN COc1ccccc1C(=O)N(c1cccc(C)c1)C1CCN(Cc2ccsc2)CC1 ZINC000034683053 557385515 /nfs/dbraw/zinc/38/55/15/557385515.db2.gz MCSXFSFYOJVBAL-UHFFFAOYSA-N 0 1 420.578 5.377 50 0 HKAAMN CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccco3)CC2)cc1 ZINC000034683057 557385519 /nfs/dbraw/zinc/38/55/19/557385519.db2.gz KUVVOUIBMSSNOT-UHFFFAOYSA-N 0 1 406.501 5.293 50 0 HKAAMN CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccsc3)CC2)cc1 ZINC000034683060 557385896 /nfs/dbraw/zinc/38/58/96/557385896.db2.gz HSOBEFGEEZWBDB-UHFFFAOYSA-N 0 1 422.569 5.761 50 0 HKAAMN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccsc3)CC2)cc1 ZINC000034683095 557385819 /nfs/dbraw/zinc/38/58/19/557385819.db2.gz ACUADLPLOFWHBU-UHFFFAOYSA-N 0 1 404.579 5.622 50 0 HKAAMN CCCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000034683105 557385866 /nfs/dbraw/zinc/38/58/66/557385866.db2.gz PGNZFYCQVUQZEL-UHFFFAOYSA-N 0 1 424.585 5.064 50 0 HKAAMN CCCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000034683106 557385836 /nfs/dbraw/zinc/38/58/36/557385836.db2.gz JXKDUOJRVBUPEY-UHFFFAOYSA-N 0 1 424.585 5.064 50 0 HKAAMN COc1cccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccsc3)CC2)c1 ZINC000034683116 557385822 /nfs/dbraw/zinc/38/58/22/557385822.db2.gz PEYGSJSRZAKWKZ-UHFFFAOYSA-N 0 1 424.541 5.207 50 0 HKAAMN COc1cccc(N(C(=O)c2ccco2)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000034683124 557385804 /nfs/dbraw/zinc/38/58/04/557385804.db2.gz YCZCPGNJNUOGDV-UHFFFAOYSA-N 0 1 424.928 5.253 50 0 HKAAMN COc1cccc(N(C(=O)C(C)C)C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000034683140 557385847 /nfs/dbraw/zinc/38/58/47/557385847.db2.gz KKXNAWKKPHLGNR-UHFFFAOYSA-N 0 1 400.950 5.002 50 0 HKAAMN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3cccs3)CC2)c1 ZINC000034683158 557385774 /nfs/dbraw/zinc/38/57/74/557385774.db2.gz PVPMPGXVTHHGQO-UHFFFAOYSA-N 0 1 412.580 5.130 50 0 HKAAMN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3ccsc3)CC2)c1 ZINC000034683162 557385841 /nfs/dbraw/zinc/38/58/41/557385841.db2.gz QZGSESVUROQTBZ-UHFFFAOYSA-N 0 1 412.580 5.130 50 0 HKAAMN CCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000034683195 557385826 /nfs/dbraw/zinc/38/58/26/557385826.db2.gz KFUATXMAAOYPLY-UHFFFAOYSA-N 0 1 422.466 5.642 50 0 HKAAMN CCC(=O)N(c1ccc(OC)cc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000034683218 557386191 /nfs/dbraw/zinc/38/61/91/557386191.db2.gz GRGZQCLWSLIFJE-UHFFFAOYSA-N 0 1 420.475 5.122 50 0 HKAAMN CCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000034683309 557386096 /nfs/dbraw/zinc/38/60/96/557386096.db2.gz VCRBQACAUBLFKZ-UHFFFAOYSA-N 0 1 404.476 5.421 50 0 HKAAMN CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000034683385 557386072 /nfs/dbraw/zinc/38/60/72/557386072.db2.gz LNGMOSYAAKZVTD-UHFFFAOYSA-N 0 1 417.528 5.095 50 0 HKAAMN CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccoc3)CC2)cc1 ZINC000034683386 557386249 /nfs/dbraw/zinc/38/62/49/557386249.db2.gz NUKWMGXVCWQFKT-UHFFFAOYSA-N 0 1 406.501 5.293 50 0 HKAAMN CCC(=O)N(c1cccc(OC)c1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000034683454 557386580 /nfs/dbraw/zinc/38/65/80/557386580.db2.gz JQKIYRMIIFSBEB-UHFFFAOYSA-N 0 1 420.475 5.122 50 0 HKAAMN CC(C)C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000034683523 557386541 /nfs/dbraw/zinc/38/65/41/557386541.db2.gz FSVLGXHAQJTDFT-UHFFFAOYSA-N 0 1 422.466 5.498 50 0 HKAAMN CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000034683548 557386603 /nfs/dbraw/zinc/38/66/03/557386603.db2.gz GJBIZLGZKONMQH-UHFFFAOYSA-N 0 1 408.439 5.252 50 0 HKAAMN O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CCN(Cc2ccoc2)CC1 ZINC000034683589 557387032 /nfs/dbraw/zinc/38/70/32/557387032.db2.gz VDILXYYDPYVBNZ-UHFFFAOYSA-N 0 1 412.892 5.384 50 0 HKAAMN Cc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CCN(Cc3ccoc3)CC2)c1 ZINC000034683647 557386820 /nfs/dbraw/zinc/38/68/20/557386820.db2.gz PJVRTAIFXQJKMB-UHFFFAOYSA-N 0 1 406.501 5.347 50 0 HKAAMN COc1ccccc1N1CCN(CC[C@H](Oc2ccccc2F)c2ccccc2)CC1 ZINC000034727073 557442934 /nfs/dbraw/zinc/44/29/34/557442934.db2.gz JFUPAVGXSCLMSF-DEOSSOPVSA-N 0 1 420.528 5.167 50 0 HKAAMN COc1ccccc1N1CCN(CC[C@@H](Oc2ccccc2F)c2ccccc2)CC1 ZINC000034727076 557443020 /nfs/dbraw/zinc/44/30/20/557443020.db2.gz JFUPAVGXSCLMSF-XMMPIXPASA-N 0 1 420.528 5.167 50 0 HKAAMN CC[C@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000034793831 557470290 /nfs/dbraw/zinc/47/02/90/557470290.db2.gz GIUDBCGXEPVXGK-SFHVURJKSA-N 0 1 405.498 5.104 50 0 HKAAMN CC[C@@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000034793833 557470321 /nfs/dbraw/zinc/47/03/21/557470321.db2.gz GIUDBCGXEPVXGK-GOSISDBHSA-N 0 1 405.498 5.104 50 0 HKAAMN COc1ccc(-c2[nH]nc(CC(C)C)c2NC(=O)OCc2ccccc2)cc1OC ZINC000034793956 557470451 /nfs/dbraw/zinc/47/04/51/557470451.db2.gz OKKOBZBMGMXGOF-UHFFFAOYSA-N 0 1 409.486 5.041 50 0 HKAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000034794850 557470839 /nfs/dbraw/zinc/47/08/39/557470839.db2.gz XDPGNXKAYSLXFG-UHFFFAOYSA-N 0 1 400.309 6.130 50 0 HKAAMN COc1ccc(CCc2[nH]nc(C)c2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000034795170 557471128 /nfs/dbraw/zinc/47/11/28/557471128.db2.gz CPXZHSNMWRFTRV-UHFFFAOYSA-N 0 1 404.297 5.071 50 0 HKAAMN CCCc1n[nH]c(CCc2ccc(OC)cc2)c1NC(=O)[C@@H](CC)c1ccccc1 ZINC000034795231 557471100 /nfs/dbraw/zinc/47/11/00/557471100.db2.gz NKKKBOJNBAASMV-NRFANRHFSA-N 0 1 405.542 5.288 50 0 HKAAMN CCCc1n[nH]c(CCc2ccc(OC)cc2)c1NC(=O)[C@H](CC)c1ccccc1 ZINC000034795232 557471072 /nfs/dbraw/zinc/47/10/72/557471072.db2.gz NKKKBOJNBAASMV-OAQYLSRUSA-N 0 1 405.542 5.288 50 0 HKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000034795535 557471345 /nfs/dbraw/zinc/47/13/45/557471345.db2.gz LEEKWXQGDOLKQJ-UHFFFAOYSA-N 0 1 405.807 5.879 50 0 HKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000034795567 557471282 /nfs/dbraw/zinc/47/12/82/557471282.db2.gz VLQDEYDBJKETNL-UHFFFAOYSA-N 0 1 405.807 5.879 50 0 HKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F ZINC000034795572 557471273 /nfs/dbraw/zinc/47/12/73/557471273.db2.gz LTRZXMMFELRMHD-UHFFFAOYSA-N 0 1 407.342 5.503 50 0 HKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1 ZINC000034795573 557471341 /nfs/dbraw/zinc/47/13/41/557471341.db2.gz ATICMOWAFVZUDE-UHFFFAOYSA-N 0 1 407.342 5.503 50 0 HKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F ZINC000034795575 557471290 /nfs/dbraw/zinc/47/12/90/557471290.db2.gz UMGGWMBXCGNSNV-UHFFFAOYSA-N 0 1 407.342 5.503 50 0 HKAAMN COc1cc(OC)cc(C(=O)Nc2c(C3CC3)n[nH]c2-c2ccc(C(C)(C)C)cc2)c1 ZINC000034795820 557471529 /nfs/dbraw/zinc/47/15/29/557471529.db2.gz SGNJYFJPGCHYDS-UHFFFAOYSA-N 0 1 419.525 5.521 50 0 HKAAMN CC[C@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(OC)cc1OC)c1ccccc1 ZINC000034796039 557471565 /nfs/dbraw/zinc/47/15/65/557471565.db2.gz IITMQIYPGZSVAN-SFHVURJKSA-N 0 1 405.498 5.104 50 0 HKAAMN CC[C@@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(OC)cc1OC)c1ccccc1 ZINC000034796040 557471608 /nfs/dbraw/zinc/47/16/08/557471608.db2.gz IITMQIYPGZSVAN-GOSISDBHSA-N 0 1 405.498 5.104 50 0 HKAAMN COc1cccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000034796139 557471820 /nfs/dbraw/zinc/47/18/20/557471820.db2.gz LUSOLMDHTDHEKA-UHFFFAOYSA-N 0 1 402.281 5.522 50 0 HKAAMN COc1cccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000034796148 557471755 /nfs/dbraw/zinc/47/17/55/557471755.db2.gz HKXLSFVYXFJCQB-UHFFFAOYSA-N 0 1 401.388 5.234 50 0 HKAAMN COc1cccc(-c2[nH]nc(CC(C)C)c2NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000034796202 557471773 /nfs/dbraw/zinc/47/17/73/557471773.db2.gz RHFPEGQCLVMRAY-UHFFFAOYSA-N 0 1 417.431 5.555 50 0 HKAAMN COc1ccc(NC(=O)Nc2c(C3CC3)n[nH]c2-c2cccc(Cl)c2)c(OC)c1 ZINC000034796552 557471841 /nfs/dbraw/zinc/47/18/41/557471841.db2.gz DQVGTNFVCUDCNU-UHFFFAOYSA-N 0 1 412.877 5.269 50 0 HKAAMN COc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000034796573 557471751 /nfs/dbraw/zinc/47/17/51/557471751.db2.gz CMKGDVWKWUKIRS-UHFFFAOYSA-N 0 1 412.877 5.269 50 0 HKAAMN COc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)Nc2ccc(C(C)C)cc2)cc1OC ZINC000034796576 557471864 /nfs/dbraw/zinc/47/18/64/557471864.db2.gz OESJNFMDMTXHCT-UHFFFAOYSA-N 0 1 420.513 5.739 50 0 HKAAMN CC(C)c1ccc(NC(=O)Nc2c(C3CC3)n[nH]c2-c2ccc3c(c2)OCO3)cc1 ZINC000034796609 557471832 /nfs/dbraw/zinc/47/18/32/557471832.db2.gz DYGUYHXFSZKMCF-UHFFFAOYSA-N 0 1 404.470 5.450 50 0 HKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1 ZINC000034796660 557472066 /nfs/dbraw/zinc/47/20/66/557472066.db2.gz OUQPSPIGRWZSRX-UHFFFAOYSA-N 0 1 420.822 6.270 50 0 HKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)Nc1cccc(Cl)c1 ZINC000034796661 557472107 /nfs/dbraw/zinc/47/21/07/557472107.db2.gz XRFNHWAOEPORLX-UHFFFAOYSA-N 0 1 420.822 6.270 50 0 HKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1 ZINC000034796665 557472121 /nfs/dbraw/zinc/47/21/21/557472121.db2.gz OVXZAQLEWDHSAV-UHFFFAOYSA-N 0 1 404.367 5.756 50 0 HKAAMN CCc1n[nH]c(-c2cccc(OC)c2)c1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000034796722 557472143 /nfs/dbraw/zinc/47/21/43/557472143.db2.gz RDOAIOARQSGACM-UHFFFAOYSA-N 0 1 404.392 5.311 50 0 HKAAMN COc1cccc(-c2[nH]nc(C3CC3)c2NC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000034796728 557472018 /nfs/dbraw/zinc/47/20/18/557472018.db2.gz RPNPTZQUEPRVRL-UHFFFAOYSA-N 0 1 417.296 5.914 50 0 HKAAMN CCCc1n[nH]c(-c2cccc(OC)c2)c1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000034796740 558783968 /nfs/dbraw/zinc/78/39/68/558783968.db2.gz BWJGOBHSZPYBOH-UHFFFAOYSA-N 0 1 418.419 5.701 50 0 HKAAMN CC(C)c1ccc(NC(=O)Nc2c(C3CCOCC3)n[nH]c2-c2ccccc2)cc1 ZINC000034796950 557472089 /nfs/dbraw/zinc/47/20/89/557472089.db2.gz QPEGJDRAWXUYFH-UHFFFAOYSA-N 0 1 404.514 5.738 50 0 HKAAMN COc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000034796956 558784001 /nfs/dbraw/zinc/78/40/01/558784001.db2.gz ROJXXPXKKMTMGO-UHFFFAOYSA-N 0 1 416.403 5.626 50 0 HKAAMN CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000034915652 557482112 /nfs/dbraw/zinc/48/21/12/557482112.db2.gz GIJYWKLNIBYTQD-UHFFFAOYSA-N 0 1 417.512 6.169 50 0 HKAAMN COc1ccc([C@@H]2CCC[N@H+]2[C@H](C(=O)[O-])c2c[nH]c3ccccc32)c2ccccc12 ZINC000035105641 568992073 /nfs/dbraw/zinc/99/20/73/568992073.db2.gz GOWTWRWLJRTLTD-UPVQGACJSA-N 0 1 400.478 5.293 50 0 HKAAMN COc1ccc([C@H]2CCC[N@H+]2[C@H](C(=O)[O-])c2c[nH]c3ccccc32)c2ccccc12 ZINC000035105642 568992002 /nfs/dbraw/zinc/99/20/02/568992002.db2.gz GOWTWRWLJRTLTD-VWNXMTODSA-N 0 1 400.478 5.293 50 0 HKAAMN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1C(=C(O)c1cc(C)ccc1C)CC(=O)N2 ZINC000035170963 569002152 /nfs/dbraw/zinc/00/21/52/569002152.db2.gz XVDJJCDHLFJATN-GOSISDBHSA-N 0 1 407.901 5.068 50 0 HKAAMN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1C(=C(O)c1cc(C)ccc1C)CC(=O)N2 ZINC000035170965 569002128 /nfs/dbraw/zinc/00/21/28/569002128.db2.gz XVDJJCDHLFJATN-SFHVURJKSA-N 0 1 407.901 5.068 50 0 HKAAMN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2ccc(C(C)C)cc2)c1 ZINC000035170967 569002087 /nfs/dbraw/zinc/00/20/87/569002087.db2.gz HIFNSLUSJJQACF-OAQYLSRUSA-N 0 1 401.510 5.175 50 0 HKAAMN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2ccc(C(C)C)cc2)c1 ZINC000035170970 569002180 /nfs/dbraw/zinc/00/21/80/569002180.db2.gz HIFNSLUSJJQACF-NRFANRHFSA-N 0 1 401.510 5.175 50 0 HKAAMN Cc1nn(-c2cccc(Cl)c2C)c2c1C(=C(O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000035171075 569002201 /nfs/dbraw/zinc/00/22/01/569002201.db2.gz ZMBJLVCNZAJGMG-QGZVFWFLSA-N 0 1 407.901 5.068 50 0 HKAAMN Cc1nn(-c2cccc(Cl)c2C)c2c1C(=C(O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000035171077 569002197 /nfs/dbraw/zinc/00/21/97/569002197.db2.gz ZMBJLVCNZAJGMG-KRWDZBQOSA-N 0 1 407.901 5.068 50 0 HKAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)NC1c2ccccc2-c2ccccc21 ZINC000035260590 569012736 /nfs/dbraw/zinc/01/27/36/569012736.db2.gz SAYWYHLPBWWRMJ-UHFFFAOYSA-N 0 1 405.910 5.195 50 0 HKAAMN C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035326254 569032861 /nfs/dbraw/zinc/03/28/61/569032861.db2.gz GMZGSFXWGBIZMI-HOCLYGCPSA-N 0 1 408.502 5.426 50 0 HKAAMN C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035326260 569032855 /nfs/dbraw/zinc/03/28/55/569032855.db2.gz GMZGSFXWGBIZMI-ZBFHGGJFSA-N 0 1 408.502 5.426 50 0 HKAAMN CCCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000035476072 569038298 /nfs/dbraw/zinc/03/82/98/569038298.db2.gz ZPKBXNWWLCNWOH-UHFFFAOYSA-N 0 1 410.606 5.587 50 0 HKAAMN Clc1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)cc1 ZINC000035504146 569040799 /nfs/dbraw/zinc/04/07/99/569040799.db2.gz XFMNULZGMOWWPG-UHFFFAOYSA-N 0 1 401.651 5.210 50 0 HKAAMN Clc1cccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)c1 ZINC000035504152 569040815 /nfs/dbraw/zinc/04/08/15/569040815.db2.gz NEUORJMMULDNBE-UHFFFAOYSA-N 0 1 401.651 5.210 50 0 HKAAMN COc1cc(-c2noc(-c3cc(-c4cc(C)ccc4C)n[nH]3)n2)ccc1OC(C)C ZINC000035504195 569040769 /nfs/dbraw/zinc/04/07/69/569040769.db2.gz FZZIPCQAOHVFJW-UHFFFAOYSA-N 0 1 404.470 5.206 50 0 HKAAMN CC(C)c1cc([C@@H]2CCCN2Cc2c[nH]nc2-c2cccc(Br)c2)on1 ZINC000035511271 558793105 /nfs/dbraw/zinc/79/31/05/558793105.db2.gz IKHYUIDPXUGYSD-SFHVURJKSA-N 0 1 415.335 5.288 50 0 HKAAMN CC(C)c1cc([C@H]2CCCN2Cc2c[nH]nc2-c2cccc(Br)c2)on1 ZINC000035511272 558793144 /nfs/dbraw/zinc/79/31/44/558793144.db2.gz IKHYUIDPXUGYSD-GOSISDBHSA-N 0 1 415.335 5.288 50 0 HKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cccc3ccccc32)c1C ZINC000035552442 569044571 /nfs/dbraw/zinc/04/45/71/569044571.db2.gz QATQJIFNYYWIKC-UHFFFAOYSA-N 0 1 412.536 5.591 50 0 HKAAMN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035581042 569046106 /nfs/dbraw/zinc/04/61/06/569046106.db2.gz UKUTVZZBLMWKBI-BTYIYWSLSA-N 0 1 405.523 5.091 50 0 HKAAMN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035581044 569046100 /nfs/dbraw/zinc/04/61/00/569046100.db2.gz UKUTVZZBLMWKBI-YCRPNKLZSA-N 0 1 405.523 5.091 50 0 HKAAMN Cc1ccc(-c2ncc(Sc3nc(-c4ccc(Br)cc4)n[nH]3)o2)cc1 ZINC000035681811 569048976 /nfs/dbraw/zinc/04/89/76/569048976.db2.gz XKPNHDKXMREQMF-UHFFFAOYSA-N 0 1 413.300 5.349 50 0 HKAAMN COC(=O)c1ccccc1CN(CCC(C)C)Cc1cccn1Cc1ccccc1 ZINC000035840974 569062318 /nfs/dbraw/zinc/06/23/18/569062318.db2.gz WFEUGWPSCWPWQT-UHFFFAOYSA-N 0 1 404.554 5.371 50 0 HKAAMN COCCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccc(C)cc1 ZINC000035841186 569062373 /nfs/dbraw/zinc/06/23/73/569062373.db2.gz SPZFOFXRGXHFKG-UHFFFAOYSA-N 0 1 416.487 5.512 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1C ZINC000035843609 569062403 /nfs/dbraw/zinc/06/24/03/569062403.db2.gz VLHXEZBLIWEBAL-HSZRJFAPSA-N 0 1 400.563 5.010 50 0 HKAAMN CCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1C ZINC000035843610 569062485 /nfs/dbraw/zinc/06/24/85/569062485.db2.gz VLHXEZBLIWEBAL-QHCPKHFHSA-N 0 1 400.563 5.010 50 0 HKAAMN COCCN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843758 569062456 /nfs/dbraw/zinc/06/24/56/569062456.db2.gz QCOGWCCIBHQWHV-UHFFFAOYSA-N 0 1 408.561 5.622 50 0 HKAAMN COCCN(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843759 569062435 /nfs/dbraw/zinc/06/24/35/569062435.db2.gz NHBPSLKMEWZUGY-UHFFFAOYSA-N 0 1 420.450 5.343 50 0 HKAAMN Fc1ccc(Cn2cccc2CN(Cc2ccccc2Cl)CC2CCCCC2)cc1 ZINC000035843781 569062518 /nfs/dbraw/zinc/06/25/18/569062518.db2.gz BJWXAOYNTCOXQJ-UHFFFAOYSA-N 0 1 424.991 6.911 50 0 HKAAMN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1 ZINC000035844744 569062501 /nfs/dbraw/zinc/06/25/01/569062501.db2.gz MNYZGJHBRPDNLV-UHFFFAOYSA-N 0 1 418.581 5.462 50 0 HKAAMN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(Cc4ccccc4)CC2)n1)CCCC3 ZINC000035892712 569065067 /nfs/dbraw/zinc/06/50/67/569065067.db2.gz SWNISLZBKYPFIB-GOSISDBHSA-N 0 1 420.626 5.406 50 0 HKAAMN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(Cc4ccccc4)CC2)n1)CCCC3 ZINC000035892714 569065073 /nfs/dbraw/zinc/06/50/73/569065073.db2.gz SWNISLZBKYPFIB-SFHVURJKSA-N 0 1 420.626 5.406 50 0 HKAAMN c1ccc(CN2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCCC5)CC2)cc1 ZINC000035892940 569065091 /nfs/dbraw/zinc/06/50/91/569065091.db2.gz YQZGAHBMZGEDKK-UHFFFAOYSA-N 0 1 418.610 5.160 50 0 HKAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)s1 ZINC000036031448 569081007 /nfs/dbraw/zinc/08/10/07/569081007.db2.gz VTGLODBTTAMTCN-FQEVSTJZSA-N 0 1 419.949 5.291 50 0 HKAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)s1 ZINC000036031450 569081025 /nfs/dbraw/zinc/08/10/25/569081025.db2.gz VTGLODBTTAMTCN-HXUWFJFHSA-N 0 1 419.949 5.291 50 0 HKAAMN O[C@H](COc1ccc(Cl)cc1)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000036102617 569092110 /nfs/dbraw/zinc/09/21/10/569092110.db2.gz KTSTXZAASGPFKN-QFIPXVFZSA-N 0 1 417.883 5.060 50 0 HKAAMN O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000036102619 569092217 /nfs/dbraw/zinc/09/22/17/569092217.db2.gz KTSTXZAASGPFKN-JOCHJYFZSA-N 0 1 417.883 5.060 50 0 HKAAMN COc1cc2ncc(C(=O)c3ccc(C)cc3)c(N3CCCCCC3)c2cc1OC ZINC000036102752 569092201 /nfs/dbraw/zinc/09/22/01/569092201.db2.gz RZQSPPPSUWTWFY-UHFFFAOYSA-N 0 1 404.510 5.172 50 0 HKAAMN O[C@@H](CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1)c1ccccc1 ZINC000036145882 558797969 /nfs/dbraw/zinc/79/79/69/558797969.db2.gz XOZTZVWOEUGXCB-ZCYQVOJMSA-N 0 1 420.940 5.069 50 0 HKAAMN O[C@@H](CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1)c1ccccc1 ZINC000036145883 558798114 /nfs/dbraw/zinc/79/81/14/558798114.db2.gz XOZTZVWOEUGXCB-NOZRDPDXSA-N 0 1 420.940 5.069 50 0 HKAAMN CC(C)N(Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1cccs1 ZINC000036154628 569100960 /nfs/dbraw/zinc/10/09/60/569100960.db2.gz YLYOUDFVFIOMBI-UHFFFAOYSA-N 0 1 417.574 6.036 50 0 HKAAMN CCCN(Cc1ccc(C(O)(CCC)CCC)o1)Cc1ccc(OC)c(OC)c1 ZINC000036156215 569101315 /nfs/dbraw/zinc/10/13/15/569101315.db2.gz PSIOTGTWJCOJBY-UHFFFAOYSA-N 0 1 403.563 5.497 50 0 HKAAMN CCCC(O)(CCC)c1ccc(CN(Cc2cccc(OC)c2OC)CC(C)C)o1 ZINC000036202334 569109468 /nfs/dbraw/zinc/10/94/68/569109468.db2.gz SZRSNIKODOUAJQ-UHFFFAOYSA-N 0 1 417.590 5.743 50 0 HKAAMN Cc1ccc(CN(Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)C2CC2)cc1 ZINC000036202804 569109436 /nfs/dbraw/zinc/10/94/36/569109436.db2.gz YGUXYOSFTZBJJW-UHFFFAOYSA-N 0 1 423.556 6.037 50 0 HKAAMN Cc1ccccc1CN(Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)C1CC1 ZINC000036203273 569109464 /nfs/dbraw/zinc/10/94/64/569109464.db2.gz CRVWVTJWONJBSP-UHFFFAOYSA-N 0 1 423.556 6.037 50 0 HKAAMN OC(c1ccc(CN(Cc2ccccc2)C2CC2)o1)(c1cccs1)c1cccs1 ZINC000036203658 569109638 /nfs/dbraw/zinc/10/96/38/569109638.db2.gz HCCCTQBXTJIAHC-UHFFFAOYSA-N 0 1 421.587 5.851 50 0 HKAAMN CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304791 569128990 /nfs/dbraw/zinc/12/89/90/569128990.db2.gz KTXYINPAQGEGKM-QHCPKHFHSA-N 0 1 419.569 5.407 50 0 HKAAMN CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304794 569128963 /nfs/dbraw/zinc/12/89/63/569128963.db2.gz KTXYINPAQGEGKM-HSZRJFAPSA-N 0 1 419.569 5.407 50 0 HKAAMN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304806 569128996 /nfs/dbraw/zinc/12/89/96/569128996.db2.gz YJVDZCZNFLBVBA-QFIPXVFZSA-N 0 1 405.542 5.017 50 0 HKAAMN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304808 569128973 /nfs/dbraw/zinc/12/89/73/569128973.db2.gz YJVDZCZNFLBVBA-JOCHJYFZSA-N 0 1 405.542 5.017 50 0 HKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)CC ZINC000036304856 569128955 /nfs/dbraw/zinc/12/89/55/569128955.db2.gz YSZOXCXCPDNZNZ-JOCHJYFZSA-N 0 1 407.558 5.264 50 0 HKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)CC ZINC000036304859 569128934 /nfs/dbraw/zinc/12/89/34/569128934.db2.gz YSZOXCXCPDNZNZ-QFIPXVFZSA-N 0 1 407.558 5.264 50 0 HKAAMN CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308515 569130450 /nfs/dbraw/zinc/13/04/50/569130450.db2.gz GRCGHLXSKQHLES-QFIPXVFZSA-N 0 1 407.558 5.346 50 0 HKAAMN CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308518 569130364 /nfs/dbraw/zinc/13/03/64/569130364.db2.gz GRCGHLXSKQHLES-JOCHJYFZSA-N 0 1 407.558 5.346 50 0 HKAAMN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036313653 569133693 /nfs/dbraw/zinc/13/36/93/569133693.db2.gz HATRANIWOKSYSR-QHCPKHFHSA-N 0 1 421.585 5.735 50 0 HKAAMN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036313654 569133780 /nfs/dbraw/zinc/13/37/80/569133780.db2.gz HATRANIWOKSYSR-HSZRJFAPSA-N 0 1 421.585 5.735 50 0 HKAAMN Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCC[C@@H]2C)cc1 ZINC000036340898 569141528 /nfs/dbraw/zinc/14/15/28/569141528.db2.gz MTWFDWYCWJVQHA-MBSDFSHPSA-N 0 1 409.961 5.201 50 0 HKAAMN Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCC[C@@H]2C)cc1 ZINC000036340899 569141499 /nfs/dbraw/zinc/14/14/99/569141499.db2.gz MTWFDWYCWJVQHA-FDDCHVKYSA-N 0 1 409.961 5.201 50 0 HKAAMN Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036340904 569141673 /nfs/dbraw/zinc/14/16/73/569141673.db2.gz DQFAKTVRXNDFEA-QHCPKHFHSA-N 0 1 409.961 5.058 50 0 HKAAMN Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036340905 569141685 /nfs/dbraw/zinc/14/16/85/569141685.db2.gz DQFAKTVRXNDFEA-HSZRJFAPSA-N 0 1 409.961 5.058 50 0 HKAAMN C[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340948 558799106 /nfs/dbraw/zinc/79/91/06/558799106.db2.gz REACVQCBRXOSLI-ZHRRBRCNSA-N 0 1 413.924 5.031 50 0 HKAAMN C[C@H]1CCCCN1CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340949 558799118 /nfs/dbraw/zinc/79/91/18/558799118.db2.gz REACVQCBRXOSLI-AOMKIAJQSA-N 0 1 413.924 5.031 50 0 HKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340978 569141868 /nfs/dbraw/zinc/14/18/68/569141868.db2.gz ZEFIPKOEOPCODJ-DEOSSOPVSA-N 0 1 423.988 5.366 50 0 HKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340979 569141854 /nfs/dbraw/zinc/14/18/54/569141854.db2.gz ZEFIPKOEOPCODJ-XMMPIXPASA-N 0 1 423.988 5.366 50 0 HKAAMN CCN(CC)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000036340996 569141804 /nfs/dbraw/zinc/14/18/04/569141804.db2.gz JZXAJGQDQKSONW-FQEVSTJZSA-N 0 1 404.341 5.013 50 0 HKAAMN CCN(CC)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000036340997 569141851 /nfs/dbraw/zinc/14/18/51/569141851.db2.gz JZXAJGQDQKSONW-HXUWFJFHSA-N 0 1 404.341 5.013 50 0 HKAAMN CC(C)N(C)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000036341008 569141863 /nfs/dbraw/zinc/14/18/63/569141863.db2.gz UWUDVKMLIFRMFB-FQEVSTJZSA-N 0 1 404.341 5.011 50 0 HKAAMN CC(C)N(C)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000036341009 569141866 /nfs/dbraw/zinc/14/18/66/569141866.db2.gz UWUDVKMLIFRMFB-HXUWFJFHSA-N 0 1 404.341 5.011 50 0 HKAAMN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036341996 569142092 /nfs/dbraw/zinc/14/20/92/569142092.db2.gz BJHPXMRFKUAGQU-FQEVSTJZSA-N 0 1 411.521 5.093 50 0 HKAAMN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036341997 569142226 /nfs/dbraw/zinc/14/22/26/569142226.db2.gz BJHPXMRFKUAGQU-HXUWFJFHSA-N 0 1 411.521 5.093 50 0 HKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)CC ZINC000036342094 569142185 /nfs/dbraw/zinc/14/21/85/569142185.db2.gz RHKPJHDBFWUNGD-OAQYLSRUSA-N 0 1 411.521 5.095 50 0 HKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)CC ZINC000036342095 569142110 /nfs/dbraw/zinc/14/21/10/569142110.db2.gz RHKPJHDBFWUNGD-NRFANRHFSA-N 0 1 411.521 5.095 50 0 HKAAMN Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCCC[C@@H]2C)cc1 ZINC000036343555 569142356 /nfs/dbraw/zinc/14/23/56/569142356.db2.gz AWNLMWISWSJOFI-OFVILXPXSA-N 0 1 403.570 5.164 50 0 HKAAMN Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCCC[C@@H]2C)cc1 ZINC000036343556 569142431 /nfs/dbraw/zinc/14/24/31/569142431.db2.gz AWNLMWISWSJOFI-SQJMNOBHSA-N 0 1 403.570 5.164 50 0 HKAAMN Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036343564 569142360 /nfs/dbraw/zinc/14/23/60/569142360.db2.gz ZFNYZBRFKAOKMV-VWLOTQADSA-N 0 1 403.570 5.021 50 0 HKAAMN Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036343566 569142421 /nfs/dbraw/zinc/14/24/21/569142421.db2.gz ZFNYZBRFKAOKMV-RUZDIDTESA-N 0 1 403.570 5.021 50 0 HKAAMN Cc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCCC[C@@H]2C)cc1 ZINC000036343611 569142390 /nfs/dbraw/zinc/14/23/90/569142390.db2.gz WDAULNIXMGCADE-OFVILXPXSA-N 0 1 403.570 5.164 50 0 HKAAMN Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCCC[C@@H]2C)cc1 ZINC000036343612 569142315 /nfs/dbraw/zinc/14/23/15/569142315.db2.gz WDAULNIXMGCADE-SQJMNOBHSA-N 0 1 403.570 5.164 50 0 HKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036343767 569142342 /nfs/dbraw/zinc/14/23/42/569142342.db2.gz TTXHWSXXBGLICB-QHCPKHFHSA-N 0 1 409.961 5.058 50 0 HKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036343769 569142331 /nfs/dbraw/zinc/14/23/31/569142331.db2.gz TTXHWSXXBGLICB-HSZRJFAPSA-N 0 1 409.961 5.058 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343881 569142333 /nfs/dbraw/zinc/14/23/33/569142333.db2.gz DRZUQQFABSZYOV-DEOSSOPVSA-N 0 1 423.988 5.366 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343883 569142417 /nfs/dbraw/zinc/14/24/17/569142417.db2.gz DRZUQQFABSZYOV-XMMPIXPASA-N 0 1 423.988 5.366 50 0 HKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344602 569142651 /nfs/dbraw/zinc/14/26/51/569142651.db2.gz ITVBYZIGGKVXGX-VWLOTQADSA-N 0 1 403.570 5.021 50 0 HKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344603 569142656 /nfs/dbraw/zinc/14/26/56/569142656.db2.gz ITVBYZIGGKVXGX-RUZDIDTESA-N 0 1 403.570 5.021 50 0 HKAAMN Cc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344630 569142647 /nfs/dbraw/zinc/14/26/47/569142647.db2.gz PNYUHSSRMSGCGK-VWLOTQADSA-N 0 1 403.570 5.021 50 0 HKAAMN Cc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344631 569142711 /nfs/dbraw/zinc/14/27/11/569142711.db2.gz PNYUHSSRMSGCGK-RUZDIDTESA-N 0 1 403.570 5.021 50 0 HKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3cc(C)ccc3C)C2)c(C)c1 ZINC000036344650 569142682 /nfs/dbraw/zinc/14/26/82/569142682.db2.gz GWVUURADEJXFHL-SANMLTNESA-N 0 1 417.597 5.330 50 0 HKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3cc(C)ccc3C)C2)c(C)c1 ZINC000036344651 569142701 /nfs/dbraw/zinc/14/27/01/569142701.db2.gz GWVUURADEJXFHL-AREMUKBSSA-N 0 1 417.597 5.330 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344668 569142722 /nfs/dbraw/zinc/14/27/22/569142722.db2.gz HXXCZJDRUUZQTL-SANMLTNESA-N 0 1 417.597 5.330 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344669 569142706 /nfs/dbraw/zinc/14/27/06/569142706.db2.gz HXXCZJDRUUZQTL-AREMUKBSSA-N 0 1 417.597 5.330 50 0 HKAAMN Cc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCC(C)CC1 ZINC000036344891 569142776 /nfs/dbraw/zinc/14/27/76/569142776.db2.gz YBMLKZGRKPHYBK-QHCPKHFHSA-N 0 1 409.961 5.058 50 0 HKAAMN Cc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCC(C)CC1 ZINC000036344892 569142857 /nfs/dbraw/zinc/14/28/57/569142857.db2.gz YBMLKZGRKPHYBK-HSZRJFAPSA-N 0 1 409.961 5.058 50 0 HKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccccc3C)C2)c(C)c1 ZINC000036344985 569143023 /nfs/dbraw/zinc/14/30/23/569143023.db2.gz AXADJGIKQLGXSC-VWLOTQADSA-N 0 1 403.570 5.021 50 0 HKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccccc3C)C2)c(C)c1 ZINC000036344986 569143017 /nfs/dbraw/zinc/14/30/17/569143017.db2.gz AXADJGIKQLGXSC-RUZDIDTESA-N 0 1 403.570 5.021 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccccc3C)C2)c1 ZINC000036345009 569143079 /nfs/dbraw/zinc/14/30/79/569143079.db2.gz AKYSQWIIZKVXGZ-VWLOTQADSA-N 0 1 403.570 5.021 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccccc3C)C2)c1 ZINC000036345010 569142996 /nfs/dbraw/zinc/14/29/96/569142996.db2.gz AKYSQWIIZKVXGZ-RUZDIDTESA-N 0 1 403.570 5.021 50 0 HKAAMN Cc1cccc(C2=NN(C(=O)CN3CCCC[C@@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345043 569143036 /nfs/dbraw/zinc/14/30/36/569143036.db2.gz ZGONRFLXCAMTJX-MBSDFSHPSA-N 0 1 409.961 5.201 50 0 HKAAMN Cc1cccc(C2=NN(C(=O)CN3CCCC[C@@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345044 569142987 /nfs/dbraw/zinc/14/29/87/569142987.db2.gz ZGONRFLXCAMTJX-FDDCHVKYSA-N 0 1 409.961 5.201 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCCC[C@@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345065 569143059 /nfs/dbraw/zinc/14/30/59/569143059.db2.gz NTNBWGVUMLAPRI-CYFREDJKSA-N 0 1 423.988 5.509 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCCC[C@@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345066 569143026 /nfs/dbraw/zinc/14/30/26/569143026.db2.gz NTNBWGVUMLAPRI-YADARESESA-N 0 1 423.988 5.509 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345071 569143038 /nfs/dbraw/zinc/14/30/38/569143038.db2.gz LXJKUVFMWDBCCA-DEOSSOPVSA-N 0 1 423.988 5.366 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345072 569143092 /nfs/dbraw/zinc/14/30/92/569143092.db2.gz LXJKUVFMWDBCCA-XMMPIXPASA-N 0 1 423.988 5.366 50 0 HKAAMN CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345883 569143375 /nfs/dbraw/zinc/14/33/75/569143375.db2.gz ZRTJGTCTZVXROE-QHCPKHFHSA-N 0 1 419.569 5.407 50 0 HKAAMN CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345884 569143416 /nfs/dbraw/zinc/14/34/16/569143416.db2.gz ZRTJGTCTZVXROE-HSZRJFAPSA-N 0 1 419.569 5.407 50 0 HKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)CC ZINC000036345921 569143492 /nfs/dbraw/zinc/14/34/92/569143492.db2.gz NTQUTHMGVYEPLN-JOCHJYFZSA-N 0 1 407.558 5.264 50 0 HKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)CC ZINC000036345922 569143676 /nfs/dbraw/zinc/14/36/76/569143676.db2.gz NTQUTHMGVYEPLN-QFIPXVFZSA-N 0 1 407.558 5.264 50 0 HKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)CC ZINC000036346061 569143585 /nfs/dbraw/zinc/14/35/85/569143585.db2.gz SUUINDNBWBVCRJ-HXUWFJFHSA-N 0 1 411.521 5.095 50 0 HKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)CC ZINC000036346062 569143617 /nfs/dbraw/zinc/14/36/17/569143617.db2.gz SUUINDNBWBVCRJ-FQEVSTJZSA-N 0 1 411.521 5.095 50 0 HKAAMN CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346336 569143654 /nfs/dbraw/zinc/14/36/54/569143654.db2.gz JLOCFTVSXQETDL-QFIPXVFZSA-N 0 1 423.532 5.238 50 0 HKAAMN CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346338 569143638 /nfs/dbraw/zinc/14/36/38/569143638.db2.gz JLOCFTVSXQETDL-JOCHJYFZSA-N 0 1 423.532 5.238 50 0 HKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)CC ZINC000036346380 569143651 /nfs/dbraw/zinc/14/36/51/569143651.db2.gz XKALJBKZXLOZIU-OAQYLSRUSA-N 0 1 411.521 5.095 50 0 HKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)CC ZINC000036346381 569143634 /nfs/dbraw/zinc/14/36/34/569143634.db2.gz XKALJBKZXLOZIU-NRFANRHFSA-N 0 1 411.521 5.095 50 0 HKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](C)O)C(C)C ZINC000036346513 569143657 /nfs/dbraw/zinc/14/36/57/569143657.db2.gz AOMVLARRXWZLJF-HXUWFJFHSA-N 0 1 407.558 5.127 50 0 HKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](C)O)C(C)C ZINC000036346514 569143628 /nfs/dbraw/zinc/14/36/28/569143628.db2.gz AOMVLARRXWZLJF-FQEVSTJZSA-N 0 1 407.558 5.127 50 0 HKAAMN COc1cc(OC)cc([C@H]2c3cccn3CCCN2Cc2ccc(C(C)C)cc2)c1 ZINC000036347430 569143982 /nfs/dbraw/zinc/14/39/82/569143982.db2.gz JLCGFNJDMYEZCE-SANMLTNESA-N 0 1 404.554 5.624 50 0 HKAAMN COc1cc(OC)cc([C@@H]2c3cccn3CCCN2Cc2ccc(C(C)C)cc2)c1 ZINC000036347431 569143987 /nfs/dbraw/zinc/14/39/87/569143987.db2.gz JLCGFNJDMYEZCE-AREMUKBSSA-N 0 1 404.554 5.624 50 0 HKAAMN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000036347686 569144135 /nfs/dbraw/zinc/14/41/35/569144135.db2.gz LZTHXSHBZCLMFV-SANMLTNESA-N 0 1 418.581 5.798 50 0 HKAAMN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000036347687 569144200 /nfs/dbraw/zinc/14/42/00/569144200.db2.gz LZTHXSHBZCLMFV-AREMUKBSSA-N 0 1 418.581 5.798 50 0 HKAAMN COc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)c1OC ZINC000036347863 569144206 /nfs/dbraw/zinc/14/42/06/569144206.db2.gz SVOBAYGYUQEJPC-RUZDIDTESA-N 0 1 418.581 5.798 50 0 HKAAMN COc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)c1OC ZINC000036347864 569144299 /nfs/dbraw/zinc/14/42/99/569144299.db2.gz SVOBAYGYUQEJPC-VWLOTQADSA-N 0 1 418.581 5.798 50 0 HKAAMN Cc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347871 569144422 /nfs/dbraw/zinc/14/44/22/569144422.db2.gz SZUPMKUAUCPGPE-NDEPHWFRSA-N 0 1 408.545 6.584 50 0 HKAAMN Cc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347872 569144382 /nfs/dbraw/zinc/14/43/82/569144382.db2.gz SZUPMKUAUCPGPE-MUUNZHRXSA-N 0 1 408.545 6.584 50 0 HKAAMN COc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347879 569144487 /nfs/dbraw/zinc/14/44/87/569144487.db2.gz RMBOLYIEAUDSFP-NDEPHWFRSA-N 0 1 424.544 6.284 50 0 HKAAMN COc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347880 569144479 /nfs/dbraw/zinc/14/44/79/569144479.db2.gz RMBOLYIEAUDSFP-MUUNZHRXSA-N 0 1 424.544 6.284 50 0 HKAAMN COc1ccccc1CN1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347883 569144442 /nfs/dbraw/zinc/14/44/42/569144442.db2.gz SYKSCWKGHATVGB-NDEPHWFRSA-N 0 1 424.544 6.284 50 0 HKAAMN COc1ccccc1CN1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347884 569144417 /nfs/dbraw/zinc/14/44/17/569144417.db2.gz SYKSCWKGHATVGB-MUUNZHRXSA-N 0 1 424.544 6.284 50 0 HKAAMN COc1cc(CN2CCCn3cccc3[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000036348011 569144536 /nfs/dbraw/zinc/14/45/36/569144536.db2.gz GMLHJCKIDPEZMG-AREMUKBSSA-N 0 1 404.554 5.624 50 0 HKAAMN COc1cc(CN2CCCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000036348012 569144405 /nfs/dbraw/zinc/14/44/05/569144405.db2.gz GMLHJCKIDPEZMG-SANMLTNESA-N 0 1 404.554 5.624 50 0 HKAAMN COc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(C(C)C)cc2)c1OC ZINC000036348033 569144455 /nfs/dbraw/zinc/14/44/55/569144455.db2.gz PNJXQNCOVMGKFM-RUZDIDTESA-N 0 1 404.554 5.624 50 0 HKAAMN COc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)c1OC ZINC000036348034 569144484 /nfs/dbraw/zinc/14/44/84/569144484.db2.gz PNJXQNCOVMGKFM-VWLOTQADSA-N 0 1 404.554 5.624 50 0 HKAAMN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(C)cc2C)c(OC)c1OC ZINC000036348558 569144503 /nfs/dbraw/zinc/14/45/03/569144503.db2.gz NTWMLMHPCYGEOK-DEOSSOPVSA-N 0 1 420.553 5.126 50 0 HKAAMN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(C)cc2C)c(OC)c1OC ZINC000036348560 569144339 /nfs/dbraw/zinc/14/43/39/569144339.db2.gz NTWMLMHPCYGEOK-XMMPIXPASA-N 0 1 420.553 5.126 50 0 HKAAMN Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000036370415 569154147 /nfs/dbraw/zinc/15/41/47/569154147.db2.gz RWUUYEFLSSWUDM-JTDSTZFVSA-N 0 1 422.554 5.132 50 0 HKAAMN Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(C)cc3)CN(C)[C@@H]2c2cccs2)cc1 ZINC000036383309 569158733 /nfs/dbraw/zinc/15/87/33/569158733.db2.gz XNDXEIYARWEMSV-YMPZKCBVSA-N 0 1 403.547 5.350 50 0 HKAAMN Cc1ccc(C(=O)[C@H]2CN(C)[C@H](c3cccs3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000036383310 558799579 /nfs/dbraw/zinc/79/95/79/558799579.db2.gz XNDXEIYARWEMSV-MDNUFGMLSA-N 0 1 403.547 5.350 50 0 HKAAMN CN(CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[C@H]1CCCc2ccccc21 ZINC000036447036 569185043 /nfs/dbraw/zinc/18/50/43/569185043.db2.gz MPKOXKGPBIYWGW-KNQAVFIVSA-N 0 1 419.594 5.012 50 0 HKAAMN Clc1ccccc1/C=C1/CCCC2=C1N=C1N=CNN1[C@@H]2c1ccccc1Cl ZINC000036490673 560880279 /nfs/dbraw/zinc/88/02/79/560880279.db2.gz CQVVXEGDIXUDOK-OKULMJQMSA-N 0 1 409.320 5.774 50 0 HKAAMN COc1ccc(-c2n[nH]c(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)n2)cc1 ZINC000036644200 558800690 /nfs/dbraw/zinc/80/06/90/558800690.db2.gz ATXNJEOFFKPKAJ-UHFFFAOYSA-N 0 1 413.502 5.027 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037280020 569246444 /nfs/dbraw/zinc/24/64/44/569246444.db2.gz HEUBPAHUDIQQTO-UHFFFAOYSA-N 0 1 420.503 5.585 50 0 HKAAMN Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037280034 569246398 /nfs/dbraw/zinc/24/63/98/569246398.db2.gz LNVIWRAQMYUKFO-UHFFFAOYSA-N 0 1 416.540 5.754 50 0 HKAAMN COc1cc([C@H]2c3cccn3CCCN2Cc2cc(C)ccc2C)cc(OC)c1OC ZINC000037523242 569302914 /nfs/dbraw/zinc/30/29/14/569302914.db2.gz UCOMDIACLZYKNL-VWLOTQADSA-N 0 1 420.553 5.126 50 0 HKAAMN COc1cc([C@@H]2c3cccn3CCCN2Cc2cc(C)ccc2C)cc(OC)c1OC ZINC000037523243 569302923 /nfs/dbraw/zinc/30/29/23/569302923.db2.gz UCOMDIACLZYKNL-RUZDIDTESA-N 0 1 420.553 5.126 50 0 HKAAMN CCOC(=O)C1CCN(Cc2cncc(-c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000037554020 569306144 /nfs/dbraw/zinc/30/61/44/569306144.db2.gz JDRQOEDWWUVCAB-UHFFFAOYSA-N 0 1 400.522 5.191 50 0 HKAAMN Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3ccccc3F)CC2)n1 ZINC000037554728 569306310 /nfs/dbraw/zinc/30/63/10/569306310.db2.gz CBBHCLNDFWCMTL-UHFFFAOYSA-N 0 1 423.576 5.219 50 0 HKAAMN Cc1ccc(C(=O)N2CCCCC2)c(C2CCN(Cc3cccc(Cl)c3)CC2)n1 ZINC000037554730 569306243 /nfs/dbraw/zinc/30/62/43/569306243.db2.gz YGNZEPOPRYSBKA-UHFFFAOYSA-N 0 1 411.977 5.049 50 0 HKAAMN COc1ccccc1CN1CCC(N(C(=O)c2ccccc2)c2ccc(F)cc2)CC1 ZINC000037559573 569306818 /nfs/dbraw/zinc/30/68/18/569306818.db2.gz YUDSJLBFYGCGOG-UHFFFAOYSA-N 0 1 418.512 5.146 50 0 HKAAMN Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000037559575 569306834 /nfs/dbraw/zinc/30/68/34/569306834.db2.gz ZXKSWLGYVLMHQP-UHFFFAOYSA-N 0 1 420.503 5.585 50 0 HKAAMN O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000037559581 569306838 /nfs/dbraw/zinc/30/68/38/569306838.db2.gz SLFMWHVVVGYCEG-UHFFFAOYSA-N 0 1 424.466 5.415 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000037559653 569306797 /nfs/dbraw/zinc/30/67/97/569306797.db2.gz YPWUCFXBAYQXAG-UHFFFAOYSA-N 0 1 420.503 5.585 50 0 HKAAMN COc1ccc(CN2CCC(N(C(=O)c3cccs3)c3ccc(C)cc3)CC2)cc1 ZINC000037559659 569306814 /nfs/dbraw/zinc/30/68/14/569306814.db2.gz WOJCEVMIBJSKNV-UHFFFAOYSA-N 0 1 420.578 5.377 50 0 HKAAMN COc1ccccc1CN1CCC(N(C(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000037559825 569306806 /nfs/dbraw/zinc/30/68/06/569306806.db2.gz VSJKGQSWKVBICQ-UHFFFAOYSA-N 0 1 414.549 5.315 50 0 HKAAMN COc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000037559872 569306988 /nfs/dbraw/zinc/30/69/88/569306988.db2.gz CGBCASKUJDUADA-UHFFFAOYSA-N 0 1 418.512 5.146 50 0 HKAAMN COc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000037559932 569306944 /nfs/dbraw/zinc/30/69/44/569306944.db2.gz ACRCJLVUCKCSSY-UHFFFAOYSA-N 0 1 418.512 5.146 50 0 HKAAMN Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000037559938 569306935 /nfs/dbraw/zinc/30/69/35/569306935.db2.gz LRKPUHDLRNMLFV-UHFFFAOYSA-N 0 1 420.503 5.585 50 0 HKAAMN COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000037559977 569306966 /nfs/dbraw/zinc/30/69/66/569306966.db2.gz VVADEBKUZGAITI-UHFFFAOYSA-N 0 1 418.512 5.146 50 0 HKAAMN COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037559979 569306974 /nfs/dbraw/zinc/30/69/74/569306974.db2.gz WGUICDYYMFQDNO-UHFFFAOYSA-N 0 1 418.512 5.146 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000037559993 569306927 /nfs/dbraw/zinc/30/69/27/569306927.db2.gz SWUNZCNERDCONB-UHFFFAOYSA-N 0 1 420.503 5.585 50 0 HKAAMN COc1cccc(CN2CCC(N(C(=O)c3cccs3)c3ccc(C)cc3)CC2)c1 ZINC000037560015 569306952 /nfs/dbraw/zinc/30/69/52/569306952.db2.gz NSDLTTCXUMCVPQ-UHFFFAOYSA-N 0 1 420.578 5.377 50 0 HKAAMN COc1ccccc1CN1CCC(N(C(=O)c2cccs2)c2ccc(C)cc2)CC1 ZINC000037560018 569306983 /nfs/dbraw/zinc/30/69/83/569306983.db2.gz SMKOSTPUHAPGRO-UHFFFAOYSA-N 0 1 420.578 5.377 50 0 HKAAMN COc1ccccc1CN1CCC(N(C(=O)c2ccccc2)c2ccc(C)cc2)CC1 ZINC000037560037 569306942 /nfs/dbraw/zinc/30/69/42/569306942.db2.gz GAMDSNMBZFQWAJ-UHFFFAOYSA-N 0 1 414.549 5.315 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccccc2F)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037560040 569306956 /nfs/dbraw/zinc/30/69/56/569306956.db2.gz DVBAWERYWIGZKW-UHFFFAOYSA-N 0 1 420.503 5.585 50 0 HKAAMN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000037560105 569306913 /nfs/dbraw/zinc/30/69/13/569306913.db2.gz ZGZKNUZOOFVLCO-UHFFFAOYSA-N 0 1 424.541 5.207 50 0 HKAAMN COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000037560121 569306960 /nfs/dbraw/zinc/30/69/60/569306960.db2.gz NCVBDKDOJSGCPN-UHFFFAOYSA-N 0 1 418.512 5.146 50 0 HKAAMN COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000037560123 569306950 /nfs/dbraw/zinc/30/69/50/569306950.db2.gz OCZBPZSPDFWKPT-UHFFFAOYSA-N 0 1 418.512 5.146 50 0 HKAAMN COc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037560293 569306904 /nfs/dbraw/zinc/30/69/04/569306904.db2.gz MQCOYNHMRLUKBT-UHFFFAOYSA-N 0 1 418.512 5.146 50 0 HKAAMN O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000037560335 569306954 /nfs/dbraw/zinc/30/69/54/569306954.db2.gz ISLDBNQJFIJJHL-UHFFFAOYSA-N 0 1 424.466 5.415 50 0 HKAAMN Cc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000037560399 569306995 /nfs/dbraw/zinc/30/69/95/569306995.db2.gz RCGDZBYOVHACJS-UHFFFAOYSA-N 0 1 408.542 5.507 50 0 HKAAMN Cc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037560402 569306993 /nfs/dbraw/zinc/30/69/93/569306993.db2.gz QCBFJAMIEGGJFR-UHFFFAOYSA-N 0 1 408.542 5.507 50 0 HKAAMN Cc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000037560404 569306958 /nfs/dbraw/zinc/30/69/58/569306958.db2.gz QHVCQOHHFUTFBT-UHFFFAOYSA-N 0 1 408.542 5.507 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000037560424 569306981 /nfs/dbraw/zinc/30/69/81/569306981.db2.gz WWJZDJPDVANAIM-UHFFFAOYSA-N 0 1 402.513 5.446 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000037560426 569306962 /nfs/dbraw/zinc/30/69/62/569306962.db2.gz MGICJQGGJJZGHG-UHFFFAOYSA-N 0 1 402.513 5.446 50 0 HKAAMN Cc1ccc(C(=O)N(c2cccc(C)c2)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000037560452 569306946 /nfs/dbraw/zinc/30/69/46/569306946.db2.gz XNTIIUZTLJTAEK-UHFFFAOYSA-N 0 1 416.540 5.754 50 0 HKAAMN Cc1ccc(C(=O)N(c2cccc(C)c2)C2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000037560455 569307088 /nfs/dbraw/zinc/30/70/88/569307088.db2.gz RSDCPLQSVYGRDI-UHFFFAOYSA-N 0 1 416.540 5.754 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1F ZINC000037560480 569307073 /nfs/dbraw/zinc/30/70/73/569307073.db2.gz QRDQFIDROTZNPJ-UHFFFAOYSA-N 0 1 420.503 5.585 50 0 HKAAMN COc1ccccc1CN1CCC(N(C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000037560650 569307079 /nfs/dbraw/zinc/30/70/79/569307079.db2.gz UJUNKEPJEMIYQW-UHFFFAOYSA-N 0 1 400.522 5.007 50 0 HKAAMN O=C(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000037560701 569307062 /nfs/dbraw/zinc/30/70/62/569307062.db2.gz LOQVHMJETAYWHE-UHFFFAOYSA-N 0 1 406.476 5.276 50 0 HKAAMN O=C(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000037560703 569307113 /nfs/dbraw/zinc/30/71/13/569307113.db2.gz BCUTYZURCBWXMF-UHFFFAOYSA-N 0 1 406.476 5.276 50 0 HKAAMN COc1cccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000037560705 569307053 /nfs/dbraw/zinc/30/70/53/569307053.db2.gz FIOKNZZWDSXLJU-UHFFFAOYSA-N 0 1 418.512 5.146 50 0 HKAAMN Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000037560730 569307066 /nfs/dbraw/zinc/30/70/66/569307066.db2.gz YBRBHIIBCZJSOU-UHFFFAOYSA-N 0 1 420.503 5.585 50 0 HKAAMN Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000037560732 569307107 /nfs/dbraw/zinc/30/71/07/569307107.db2.gz AXSYJXPTNBFTNM-UHFFFAOYSA-N 0 1 420.503 5.585 50 0 HKAAMN O=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000037560759 569307055 /nfs/dbraw/zinc/30/70/55/569307055.db2.gz VNISHYQNGPLGFL-UHFFFAOYSA-N 0 1 412.505 5.338 50 0 HKAAMN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000037560873 569307110 /nfs/dbraw/zinc/30/71/10/569307110.db2.gz MRSREGBYSNFPRO-UHFFFAOYSA-N 0 1 424.541 5.207 50 0 HKAAMN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000037560875 569307090 /nfs/dbraw/zinc/30/70/90/569307090.db2.gz YHZFMBVERHTNPT-UHFFFAOYSA-N 0 1 424.541 5.207 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3ccc(F)cc3)CC2)cc1F ZINC000037570530 569307409 /nfs/dbraw/zinc/30/74/09/569307409.db2.gz LINPAWPMWZZKEB-UHFFFAOYSA-N 0 1 410.464 5.178 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037570626 569307444 /nfs/dbraw/zinc/30/74/44/569307444.db2.gz GHHVCBPWTVOMKM-UHFFFAOYSA-N 0 1 402.513 5.446 50 0 HKAAMN Cc1ccc(C(=O)N(c2cccc(C)c2)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037570638 569307449 /nfs/dbraw/zinc/30/74/49/569307449.db2.gz JWZADZSIDOQXGT-UHFFFAOYSA-N 0 1 416.540 5.754 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccc(F)c3)CC2)cc1F ZINC000037570644 569307407 /nfs/dbraw/zinc/30/74/07/569307407.db2.gz WJPPVFBRVRPWQH-UHFFFAOYSA-N 0 1 420.503 5.585 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3F)CC2)cc1F ZINC000037572185 569307396 /nfs/dbraw/zinc/30/73/96/569307396.db2.gz GWLIFKIHHVTELN-UHFFFAOYSA-N 0 1 420.503 5.585 50 0 HKAAMN Cc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3cccc(F)c3)CC2)cc1F ZINC000037572193 569307441 /nfs/dbraw/zinc/30/74/41/569307441.db2.gz KNXAYTAVHGVSGJ-UHFFFAOYSA-N 0 1 410.464 5.178 50 0 HKAAMN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000037587659 569308276 /nfs/dbraw/zinc/30/82/76/569308276.db2.gz WMHFAZWZXPWGNA-UHFFFAOYSA-N 0 1 416.540 5.700 50 0 HKAAMN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037587681 569308192 /nfs/dbraw/zinc/30/81/92/569308192.db2.gz ZXNHORCNPSBSPS-UHFFFAOYSA-N 0 1 416.540 5.700 50 0 HKAAMN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000037587960 559255484 /nfs/dbraw/zinc/25/54/84/559255484.db2.gz CIFIPTMYABMYKD-UHFFFAOYSA-N 0 1 416.540 5.700 50 0 HKAAMN O=C(CSc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1)Nc1ccccc1 ZINC000037868001 569404252 /nfs/dbraw/zinc/40/42/52/569404252.db2.gz XQQMUPLBIHVIBC-UHFFFAOYSA-N 0 1 403.482 5.614 50 0 HKAAMN Clc1ccccc1/C=C1/CCCC2=C1N=C1N=CNN1[C@H]2c1ccccc1Cl ZINC000038182398 568570583 /nfs/dbraw/zinc/57/05/83/568570583.db2.gz CQVVXEGDIXUDOK-MQGIHEMASA-N 0 1 409.320 5.774 50 0 HKAAMN Cc1nc(-c2ccc(C)cc2)sc1-c1cc(C(=O)N2CCc3ccccc3C2)n[nH]1 ZINC000038486472 568996988 /nfs/dbraw/zinc/99/69/88/568996988.db2.gz IURWDKZMWUEZSI-UHFFFAOYSA-N 0 1 414.534 5.016 50 0 HKAAMN COc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000038545862 568999837 /nfs/dbraw/zinc/99/98/37/568999837.db2.gz RLXWGKCSNPWIOT-OAQYLSRUSA-N 0 1 410.539 5.486 50 0 HKAAMN COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000038545863 568999795 /nfs/dbraw/zinc/99/97/95/568999795.db2.gz RLXWGKCSNPWIOT-NRFANRHFSA-N 0 1 410.539 5.486 50 0 HKAAMN COc1cccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)c1 ZINC000038545864 568999786 /nfs/dbraw/zinc/99/97/86/568999786.db2.gz QDPLWFNMYPXRSZ-OAQYLSRUSA-N 0 1 410.539 5.486 50 0 HKAAMN COc1cccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)c1 ZINC000038545865 568999698 /nfs/dbraw/zinc/99/96/98/568999698.db2.gz QDPLWFNMYPXRSZ-NRFANRHFSA-N 0 1 410.539 5.486 50 0 HKAAMN COc1ccccc1[C@H](c1cc(C)sc1NC(=O)c1ccco1)N1CCCCC1 ZINC000038545866 568999802 /nfs/dbraw/zinc/99/98/02/568999802.db2.gz QUDOBIRLISKFJW-OAQYLSRUSA-N 0 1 410.539 5.486 50 0 HKAAMN COc1ccccc1[C@@H](c1cc(C)sc1NC(=O)c1ccco1)N1CCCCC1 ZINC000038545867 568999770 /nfs/dbraw/zinc/99/97/70/568999770.db2.gz QUDOBIRLISKFJW-NRFANRHFSA-N 0 1 410.539 5.486 50 0 HKAAMN CCOc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000038545889 568999809 /nfs/dbraw/zinc/99/98/09/568999809.db2.gz URKZSTXZXGYFCB-QFIPXVFZSA-N 0 1 424.566 5.876 50 0 HKAAMN CCOc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000038545890 568999703 /nfs/dbraw/zinc/99/97/03/568999703.db2.gz URKZSTXZXGYFCB-JOCHJYFZSA-N 0 1 424.566 5.876 50 0 HKAAMN Cc1cc([C@@H](c2ccc3c(c2)OCO3)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545903 568999792 /nfs/dbraw/zinc/99/97/92/568999792.db2.gz RFHARNZEGLXDEF-OAQYLSRUSA-N 0 1 424.522 5.206 50 0 HKAAMN Cc1cc([C@H](c2ccc3c(c2)OCO3)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545904 568999707 /nfs/dbraw/zinc/99/97/07/568999707.db2.gz RFHARNZEGLXDEF-NRFANRHFSA-N 0 1 424.522 5.206 50 0 HKAAMN CCc1cc([C@@H](c2ccc(OC)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545917 568999736 /nfs/dbraw/zinc/99/97/36/568999736.db2.gz NKAZOAGZWJPEBQ-JOCHJYFZSA-N 0 1 424.566 5.740 50 0 HKAAMN CCc1cc([C@H](c2ccc(OC)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545918 568999863 /nfs/dbraw/zinc/99/98/63/568999863.db2.gz NKAZOAGZWJPEBQ-QFIPXVFZSA-N 0 1 424.566 5.740 50 0 HKAAMN CCc1cc([C@@H](c2cccc(OC)c2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545919 568999855 /nfs/dbraw/zinc/99/98/55/568999855.db2.gz TZBFOKZNPKXEOF-JOCHJYFZSA-N 0 1 424.566 5.740 50 0 HKAAMN CCc1cc([C@H](c2cccc(OC)c2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545920 568999834 /nfs/dbraw/zinc/99/98/34/568999834.db2.gz TZBFOKZNPKXEOF-QFIPXVFZSA-N 0 1 424.566 5.740 50 0 HKAAMN CCc1cc([C@@H](c2ccc(C)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545929 568999712 /nfs/dbraw/zinc/99/97/12/568999712.db2.gz DDIUARLRAHYGIM-JOCHJYFZSA-N 0 1 408.567 6.040 50 0 HKAAMN CCc1cc([C@H](c2ccc(C)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545930 568999827 /nfs/dbraw/zinc/99/98/27/568999827.db2.gz DDIUARLRAHYGIM-QFIPXVFZSA-N 0 1 408.567 6.040 50 0 HKAAMN CCc1cc([C@@H](c2cccs2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545949 568999782 /nfs/dbraw/zinc/99/97/82/568999782.db2.gz GCUMODPLLYKIQQ-IBGZPJMESA-N 0 1 400.569 5.793 50 0 HKAAMN CCc1cc([C@H](c2cccs2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545950 568999761 /nfs/dbraw/zinc/99/97/61/568999761.db2.gz GCUMODPLLYKIQQ-LJQANCHMSA-N 0 1 400.569 5.793 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccn2)N2CCCCC2)c1C ZINC000038545985 568999679 /nfs/dbraw/zinc/99/96/79/568999679.db2.gz GTFSQMHFLXUSDP-HXUWFJFHSA-N 0 1 411.596 5.649 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccn2)N2CCCCC2)c1C ZINC000038545986 568999682 /nfs/dbraw/zinc/99/96/82/568999682.db2.gz GTFSQMHFLXUSDP-FQEVSTJZSA-N 0 1 411.596 5.649 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccnc2)N2CCCCC2)c1C ZINC000038545987 568999813 /nfs/dbraw/zinc/99/98/13/568999813.db2.gz JQAFFAOWRUXQBN-HXUWFJFHSA-N 0 1 411.596 5.649 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccnc2)N2CCCCC2)c1C ZINC000038545988 568999728 /nfs/dbraw/zinc/99/97/28/568999728.db2.gz JQAFFAOWRUXQBN-FQEVSTJZSA-N 0 1 411.596 5.649 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccncc2)N2CCCCC2)c1C ZINC000038545989 568999798 /nfs/dbraw/zinc/99/97/98/568999798.db2.gz LUIGLDSKEOQUQF-HXUWFJFHSA-N 0 1 411.596 5.649 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccncc2)N2CCCCC2)c1C ZINC000038545990 568999715 /nfs/dbraw/zinc/99/97/15/568999715.db2.gz LUIGLDSKEOQUQF-FQEVSTJZSA-N 0 1 411.596 5.649 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccsc2)N2CCCCC2)c1C ZINC000038546006 568999750 /nfs/dbraw/zinc/99/97/50/568999750.db2.gz GZVWCGABUSABBJ-LJQANCHMSA-N 0 1 416.637 6.316 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccsc2)N2CCCCC2)c1C ZINC000038546007 568999820 /nfs/dbraw/zinc/99/98/20/568999820.db2.gz GZVWCGABUSABBJ-IBGZPJMESA-N 0 1 416.637 6.316 50 0 HKAAMN CCc1cc([C@@H](c2ccccc2OC)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546107 568999957 /nfs/dbraw/zinc/99/99/57/568999957.db2.gz YMULKJJGPYKYGT-JOCHJYFZSA-N 0 1 424.566 5.740 50 0 HKAAMN CCc1cc([C@H](c2ccccc2OC)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546108 568999968 /nfs/dbraw/zinc/99/99/68/568999968.db2.gz YMULKJJGPYKYGT-QFIPXVFZSA-N 0 1 424.566 5.740 50 0 HKAAMN CCc1cc([C@@H](c2ccsc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546119 568999980 /nfs/dbraw/zinc/99/99/80/568999980.db2.gz AYTBDXJZVOMUFN-LJQANCHMSA-N 0 1 400.569 5.793 50 0 HKAAMN CCc1cc([C@H](c2ccsc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546120 568999974 /nfs/dbraw/zinc/99/99/74/568999974.db2.gz AYTBDXJZVOMUFN-IBGZPJMESA-N 0 1 400.569 5.793 50 0 HKAAMN O=C(Nc1sc2c(c1[C@H](c1ccccn1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038546121 569000024 /nfs/dbraw/zinc/00/00/24/569000024.db2.gz SGKNMDJYNOWZSS-QFIPXVFZSA-N 0 1 421.566 5.443 50 0 HKAAMN O=C(Nc1sc2c(c1[C@@H](c1ccccn1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038546122 568999986 /nfs/dbraw/zinc/99/99/86/568999986.db2.gz SGKNMDJYNOWZSS-JOCHJYFZSA-N 0 1 421.566 5.443 50 0 HKAAMN O=C(Nc1sc2c(c1[C@H](c1cccnc1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038546123 568999995 /nfs/dbraw/zinc/99/99/95/568999995.db2.gz ARFBSXBIXXLRDJ-QFIPXVFZSA-N 0 1 421.566 5.443 50 0 HKAAMN O=C(Nc1sc2c(c1[C@@H](c1cccnc1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038546124 569000045 /nfs/dbraw/zinc/00/00/45/569000045.db2.gz ARFBSXBIXXLRDJ-JOCHJYFZSA-N 0 1 421.566 5.443 50 0 HKAAMN O=C(Nc1sc2c(c1[C@@H](c1ccncc1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038546125 569000039 /nfs/dbraw/zinc/00/00/39/569000039.db2.gz HAPRBPPXZLJPCY-JOCHJYFZSA-N 0 1 421.566 5.443 50 0 HKAAMN O=C(Nc1sc2c(c1[C@H](c1ccncc1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038546126 569000049 /nfs/dbraw/zinc/00/00/49/569000049.db2.gz HAPRBPPXZLJPCY-QFIPXVFZSA-N 0 1 421.566 5.443 50 0 HKAAMN COc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCC(C)CC2)cc1 ZINC000038546226 569000285 /nfs/dbraw/zinc/00/02/85/569000285.db2.gz SVLWFISRLACTLO-JOCHJYFZSA-N 0 1 424.566 5.732 50 0 HKAAMN COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCC(C)CC2)cc1 ZINC000038546227 569000199 /nfs/dbraw/zinc/00/01/99/569000199.db2.gz SVLWFISRLACTLO-QFIPXVFZSA-N 0 1 424.566 5.732 50 0 HKAAMN COc1cccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCC(C)CC2)c1 ZINC000038546228 569000152 /nfs/dbraw/zinc/00/01/52/569000152.db2.gz KFMRRILZOOMTLZ-JOCHJYFZSA-N 0 1 424.566 5.732 50 0 HKAAMN COc1cccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCC(C)CC2)c1 ZINC000038546229 569000148 /nfs/dbraw/zinc/00/01/48/569000148.db2.gz KFMRRILZOOMTLZ-QFIPXVFZSA-N 0 1 424.566 5.732 50 0 HKAAMN COc1ccccc1[C@H](c1cc(C)sc1NC(=O)c1ccco1)N1CCC(C)CC1 ZINC000038546230 569000234 /nfs/dbraw/zinc/00/02/34/569000234.db2.gz VOCMSDKUOXKRPH-JOCHJYFZSA-N 0 1 424.566 5.732 50 0 HKAAMN COc1ccccc1[C@@H](c1cc(C)sc1NC(=O)c1ccco1)N1CCC(C)CC1 ZINC000038546231 569000185 /nfs/dbraw/zinc/00/01/85/569000185.db2.gz VOCMSDKUOXKRPH-QFIPXVFZSA-N 0 1 424.566 5.732 50 0 HKAAMN Cc1cc([C@@H](c2ccc(F)cc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546238 569000245 /nfs/dbraw/zinc/00/02/45/569000245.db2.gz QKLQISPVSHYQCO-OAQYLSRUSA-N 0 1 412.530 5.862 50 0 HKAAMN Cc1cc([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546239 568577839 /nfs/dbraw/zinc/57/78/39/568577839.db2.gz QKLQISPVSHYQCO-NRFANRHFSA-N 0 1 412.530 5.862 50 0 HKAAMN Cc1cc([C@@H](c2cccc(F)c2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546240 568577879 /nfs/dbraw/zinc/57/78/79/568577879.db2.gz VNMZZQOMUJTPRL-OAQYLSRUSA-N 0 1 412.530 5.862 50 0 HKAAMN Cc1cc([C@H](c2cccc(F)c2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546241 569000161 /nfs/dbraw/zinc/00/01/61/569000161.db2.gz VNMZZQOMUJTPRL-NRFANRHFSA-N 0 1 412.530 5.862 50 0 HKAAMN Cc1cc([C@@H](c2ccccc2F)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546242 569000256 /nfs/dbraw/zinc/00/02/56/569000256.db2.gz PQLWOGXBMLLDNC-OAQYLSRUSA-N 0 1 412.530 5.862 50 0 HKAAMN Cc1cc([C@H](c2ccccc2F)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546243 569000267 /nfs/dbraw/zinc/00/02/67/569000267.db2.gz PQLWOGXBMLLDNC-NRFANRHFSA-N 0 1 412.530 5.862 50 0 HKAAMN Cc1cc([C@@H](c2cccs2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546273 569000251 /nfs/dbraw/zinc/00/02/51/569000251.db2.gz GZEFDTIPCTYOCU-IBGZPJMESA-N 0 1 400.569 5.785 50 0 HKAAMN Cc1cc([C@H](c2cccs2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546274 569000241 /nfs/dbraw/zinc/00/02/41/569000241.db2.gz GZEFDTIPCTYOCU-LJQANCHMSA-N 0 1 400.569 5.785 50 0 HKAAMN Cc1cc([C@@H](c2ccsc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546275 569000270 /nfs/dbraw/zinc/00/02/70/569000270.db2.gz CQXBCLBDNMTLPK-LJQANCHMSA-N 0 1 400.569 5.785 50 0 HKAAMN Cc1cc([C@H](c2ccsc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546276 568577825 /nfs/dbraw/zinc/57/78/25/568577825.db2.gz CQXBCLBDNMTLPK-IBGZPJMESA-N 0 1 400.569 5.785 50 0 HKAAMN CCc1cc([C@@H](c2ccncc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546289 569000196 /nfs/dbraw/zinc/00/01/96/569000196.db2.gz ZOZYSAQELQYCLN-OAQYLSRUSA-N 0 1 409.555 5.372 50 0 HKAAMN CCc1cc([C@H](c2ccncc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546290 568577790 /nfs/dbraw/zinc/57/77/90/568577790.db2.gz ZOZYSAQELQYCLN-NRFANRHFSA-N 0 1 409.555 5.372 50 0 HKAAMN CCc1cc([C@@H](c2cccs2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546303 569000138 /nfs/dbraw/zinc/00/01/38/569000138.db2.gz DKLDREAVTQPXHT-FQEVSTJZSA-N 0 1 414.596 6.039 50 0 HKAAMN CCc1cc([C@H](c2cccs2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546304 568577817 /nfs/dbraw/zinc/57/78/17/568577817.db2.gz DKLDREAVTQPXHT-HXUWFJFHSA-N 0 1 414.596 6.039 50 0 HKAAMN CCc1cc([C@@H](c2ccsc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546305 569000222 /nfs/dbraw/zinc/00/02/22/569000222.db2.gz BUCYVQNXCCKURU-HXUWFJFHSA-N 0 1 414.596 6.039 50 0 HKAAMN CCc1cc([C@H](c2ccsc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546306 569000298 /nfs/dbraw/zinc/00/02/98/569000298.db2.gz BUCYVQNXCCKURU-FQEVSTJZSA-N 0 1 414.596 6.039 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(F)cc2)N2CCCC2)c1C ZINC000038546869 569000534 /nfs/dbraw/zinc/00/05/34/569000534.db2.gz HQOOAJLGCXAEJI-HXUWFJFHSA-N 0 1 414.571 6.003 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(F)cc2)N2CCCC2)c1C ZINC000038546871 569000368 /nfs/dbraw/zinc/00/03/68/569000368.db2.gz HQOOAJLGCXAEJI-FQEVSTJZSA-N 0 1 414.571 6.003 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccc(F)c2)N2CCCC2)c1C ZINC000038546873 569000468 /nfs/dbraw/zinc/00/04/68/569000468.db2.gz CIALMLOEVADBPZ-HXUWFJFHSA-N 0 1 414.571 6.003 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccc(F)c2)N2CCCC2)c1C ZINC000038546875 569000456 /nfs/dbraw/zinc/00/04/56/569000456.db2.gz CIALMLOEVADBPZ-FQEVSTJZSA-N 0 1 414.571 6.003 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2F)N2CCCC2)c1C ZINC000038546877 569000508 /nfs/dbraw/zinc/00/05/08/569000508.db2.gz AIVVIFQZQGZDJV-HXUWFJFHSA-N 0 1 414.571 6.003 50 0 HKAAMN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2F)N2CCCC2)c1C ZINC000038546879 569000555 /nfs/dbraw/zinc/00/05/55/569000555.db2.gz AIVVIFQZQGZDJV-FQEVSTJZSA-N 0 1 414.571 6.003 50 0 HKAAMN CC(C)N(C(=O)Cn1c2ccccc2nc1[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC000039917353 571134968 /nfs/dbraw/zinc/13/49/68/571134968.db2.gz UKFCLRJKLMJDJL-OAQYLSRUSA-N 0 1 418.585 5.415 50 0 HKAAMN CC(C)N(C(=O)Cn1c2ccccc2nc1[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000039917354 571134834 /nfs/dbraw/zinc/13/48/34/571134834.db2.gz UKFCLRJKLMJDJL-NRFANRHFSA-N 0 1 418.585 5.415 50 0 HKAAMN Fc1ccc(Br)cc1CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000040086368 571156876 /nfs/dbraw/zinc/15/68/76/571156876.db2.gz JMZDVZAUCLIKNI-HXUWFJFHSA-N 0 1 414.322 5.000 50 0 HKAAMN Fc1ccc(Br)cc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000040086369 571156809 /nfs/dbraw/zinc/15/68/09/571156809.db2.gz JMZDVZAUCLIKNI-FQEVSTJZSA-N 0 1 414.322 5.000 50 0 HKAAMN CC(C)(C)[C@H](NCn1nc(-c2cccs2)n(C2CC2)c1=S)c1cccs1 ZINC000040155517 571202572 /nfs/dbraw/zinc/20/25/72/571202572.db2.gz CANMQCVHKNPSDF-MRXNPFEDSA-N 0 1 404.630 5.873 50 0 HKAAMN CC(C)(C)[C@@H](NCn1nc(-c2cccs2)n(C2CC2)c1=S)c1cccs1 ZINC000040155518 571202689 /nfs/dbraw/zinc/20/26/89/571202689.db2.gz CANMQCVHKNPSDF-INIZCTEOSA-N 0 1 404.630 5.873 50 0 HKAAMN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1 ZINC000040158524 571204896 /nfs/dbraw/zinc/20/48/96/571204896.db2.gz DNZZTBLOTOYUDT-UHFFFAOYSA-N 0 1 414.490 5.436 50 0 HKAAMN COC(=O)c1ccccc1CN(Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000040382430 522260358 /nfs/dbraw/zinc/26/03/58/522260358.db2.gz XKLIHGBKDQPUKU-UHFFFAOYSA-N 0 1 404.554 5.290 50 0 HKAAMN COc1cccc(N(C(=O)C(C)C)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000040416033 526127567 /nfs/dbraw/zinc/12/75/67/526127567.db2.gz RVYCRAMHFKBGJS-UHFFFAOYSA-N 0 1 400.950 5.002 50 0 HKAAMN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478257 527248356 /nfs/dbraw/zinc/24/83/56/527248356.db2.gz DFPUODVBFKBFBR-UHFFFAOYSA-N 0 1 403.869 5.561 50 0 HKAAMN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478286 527173447 /nfs/dbraw/zinc/17/34/47/527173447.db2.gz WIUXBAYJWICJHY-UHFFFAOYSA-N 0 1 400.187 5.655 50 0 HKAAMN O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000040478299 527184970 /nfs/dbraw/zinc/18/49/70/527184970.db2.gz ZFTPILRZAMIIBW-UHFFFAOYSA-N 0 1 411.086 5.398 50 0 HKAAMN COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000040478303 522515952 /nfs/dbraw/zinc/51/59/52/522515952.db2.gz ZDSSCTCXURTUJQ-UHFFFAOYSA-N 0 1 420.694 5.062 50 0 HKAAMN O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837410 527111410 /nfs/dbraw/zinc/11/14/10/527111410.db2.gz RJDKBXCNEHZPJO-UHFFFAOYSA-N 0 1 411.086 5.398 50 0 HKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837414 527175120 /nfs/dbraw/zinc/17/51/20/527175120.db2.gz WTCBQDMBGYOYBZ-UHFFFAOYSA-N 0 1 411.086 5.398 50 0 HKAAMN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837419 527109345 /nfs/dbraw/zinc/10/93/45/527109345.db2.gz WPXWQCRZLMSJDC-UHFFFAOYSA-N 0 1 411.086 5.398 50 0 HKAAMN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837459 527411654 /nfs/dbraw/zinc/41/16/54/527411654.db2.gz ABBCTYHQCJBAOJ-UHFFFAOYSA-N 0 1 410.193 5.110 50 0 HKAAMN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837464 527330930 /nfs/dbraw/zinc/33/09/30/527330930.db2.gz NEXWHEDMOUWVLT-UHFFFAOYSA-N 0 1 410.193 5.110 50 0 HKAAMN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837469 527164726 /nfs/dbraw/zinc/16/47/26/527164726.db2.gz RQDXXPHKVLCOTI-UHFFFAOYSA-N 0 1 410.193 5.110 50 0 HKAAMN CCOc1ccc(OCC)c(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c1 ZINC000044838018 521168985 /nfs/dbraw/zinc/16/89/85/521168985.db2.gz PREDPOSEIYEBAQ-UHFFFAOYSA-N 0 1 401.466 5.280 50 0 HKAAMN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838022 527248663 /nfs/dbraw/zinc/24/86/63/527248663.db2.gz BDYYJGLFOHEMHS-UHFFFAOYSA-N 0 1 419.484 6.061 50 0 HKAAMN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838049 527410701 /nfs/dbraw/zinc/41/07/01/527410701.db2.gz IIAIMSUEWABEPH-UHFFFAOYSA-N 0 1 417.468 5.713 50 0 HKAAMN O=C(Nc1ccc(F)cc1Br)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838201 527208310 /nfs/dbraw/zinc/20/83/10/527208310.db2.gz AEHUPMSVOCSSTR-UHFFFAOYSA-N 0 1 410.246 5.384 50 0 HKAAMN Cc1cc(Br)ccc1NC(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838253 526173337 /nfs/dbraw/zinc/17/33/37/526173337.db2.gz JSOGKHCTBAHMMA-UHFFFAOYSA-N 0 1 406.283 5.553 50 0 HKAAMN Cc1cc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)ccc1Br ZINC000044838258 525240724 /nfs/dbraw/zinc/24/07/24/525240724.db2.gz MJDCVUAYVGSBMQ-UHFFFAOYSA-N 0 1 406.283 5.553 50 0 HKAAMN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c(Br)c1 ZINC000044838278 525230250 /nfs/dbraw/zinc/23/02/50/525230250.db2.gz RUQJFMXUEXTFAR-UHFFFAOYSA-N 0 1 406.283 5.553 50 0 HKAAMN COc1cc(OC)c(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)cc1Cl ZINC000044838293 522813173 /nfs/dbraw/zinc/81/31/73/522813173.db2.gz CLHIMPUFCZMZHI-UHFFFAOYSA-N 0 1 407.857 5.153 50 0 HKAAMN COc1cc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c(OC)cc1Cl ZINC000044838298 522717207 /nfs/dbraw/zinc/71/72/07/522717207.db2.gz WZJBCUZTPYNUPH-UHFFFAOYSA-N 0 1 407.857 5.153 50 0 HKAAMN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838308 527103590 /nfs/dbraw/zinc/10/35/90/527103590.db2.gz UWSDRUVQCLIJKX-UHFFFAOYSA-N 0 1 415.802 6.154 50 0 HKAAMN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838313 527173174 /nfs/dbraw/zinc/17/31/74/527173174.db2.gz JFDIDDOMXZQAMJ-UHFFFAOYSA-N 0 1 415.802 6.154 50 0 HKAAMN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838318 527184876 /nfs/dbraw/zinc/18/48/76/527184876.db2.gz IUARDRVYPBSNRX-UHFFFAOYSA-N 0 1 415.802 6.154 50 0 HKAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1nc2cc(Cl)ccc2s1 ZINC000045068065 527059808 /nfs/dbraw/zinc/05/98/08/527059808.db2.gz MWJGLNUADOADPN-UHFFFAOYSA-N 0 1 409.323 5.210 50 0 HKAAMN Cc1ccc2nc(CN(Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc(=O)n2c1 ZINC000045974136 568422782 /nfs/dbraw/zinc/42/27/82/568422782.db2.gz XJCYTQYADGQYHG-UHFFFAOYSA-N 0 1 411.549 5.329 50 0 HKAAMN CCc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)s1 ZINC000046056359 568425705 /nfs/dbraw/zinc/42/57/05/568425705.db2.gz MHMQBKKEZQYDJJ-CQSZACIVSA-N 0 1 413.930 5.075 50 0 HKAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)s1 ZINC000046056359 568425706 /nfs/dbraw/zinc/42/57/06/568425706.db2.gz MHMQBKKEZQYDJJ-CQSZACIVSA-N 0 1 413.930 5.075 50 0 HKAAMN CCc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)s1 ZINC000046056362 568425746 /nfs/dbraw/zinc/42/57/46/568425746.db2.gz MHMQBKKEZQYDJJ-AWEZNQCLSA-N 0 1 413.930 5.075 50 0 HKAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)s1 ZINC000046056362 568425747 /nfs/dbraw/zinc/42/57/47/568425747.db2.gz MHMQBKKEZQYDJJ-AWEZNQCLSA-N 0 1 413.930 5.075 50 0 HKAAMN CCc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)s1 ZINC000046056365 568425736 /nfs/dbraw/zinc/42/57/36/568425736.db2.gz WFYLNZLZVUIYOC-OAHLLOKOSA-N 0 1 413.930 5.075 50 0 HKAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)s1 ZINC000046056365 568425737 /nfs/dbraw/zinc/42/57/37/568425737.db2.gz WFYLNZLZVUIYOC-OAHLLOKOSA-N 0 1 413.930 5.075 50 0 HKAAMN CCc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)s1 ZINC000046056369 568425764 /nfs/dbraw/zinc/42/57/64/568425764.db2.gz WFYLNZLZVUIYOC-HNNXBMFYSA-N 0 1 413.930 5.075 50 0 HKAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)s1 ZINC000046056369 568425765 /nfs/dbraw/zinc/42/57/65/568425765.db2.gz WFYLNZLZVUIYOC-HNNXBMFYSA-N 0 1 413.930 5.075 50 0 HKAAMN CCc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000046056450 568425948 /nfs/dbraw/zinc/42/59/48/568425948.db2.gz YADAUZBGPCUNDK-GOSISDBHSA-N 0 1 407.901 5.014 50 0 HKAAMN CCc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000046056453 568425946 /nfs/dbraw/zinc/42/59/46/568425946.db2.gz YADAUZBGPCUNDK-SFHVURJKSA-N 0 1 407.901 5.014 50 0 HKAAMN Cc1nn(-c2cccc(Cl)c2C)c2c1C(=C(O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056488 568425868 /nfs/dbraw/zinc/42/58/68/568425868.db2.gz JSRYTFYHECQEDI-QGZVFWFLSA-N 0 1 407.901 5.068 50 0 HKAAMN Cc1nn(-c2cccc(Cl)c2C)c2c1C(=C(O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056491 568425892 /nfs/dbraw/zinc/42/58/92/568425892.db2.gz JSRYTFYHECQEDI-KRWDZBQOSA-N 0 1 407.901 5.068 50 0 HKAAMN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1C(=C(O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056494 568425915 /nfs/dbraw/zinc/42/59/15/568425915.db2.gz PGLLHUCFBJYTSO-GOSISDBHSA-N 0 1 407.901 5.068 50 0 HKAAMN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1C(=C(O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056496 568425896 /nfs/dbraw/zinc/42/58/96/568425896.db2.gz PGLLHUCFBJYTSO-SFHVURJKSA-N 0 1 407.901 5.068 50 0 HKAAMN Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C(O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056510 568425917 /nfs/dbraw/zinc/42/59/17/568425917.db2.gz VLJSRIUYYWEDCQ-JOCHJYFZSA-N 0 1 409.489 5.259 50 0 HKAAMN Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C(O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056512 568425900 /nfs/dbraw/zinc/42/59/00/568425900.db2.gz VLJSRIUYYWEDCQ-QFIPXVFZSA-N 0 1 409.489 5.259 50 0 HKAAMN CCc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2ccc3ccccc3c2)cc1 ZINC000046056548 568425925 /nfs/dbraw/zinc/42/59/25/568425925.db2.gz UXBAVEHCGMNQNY-JOCHJYFZSA-N 0 1 409.489 5.205 50 0 HKAAMN CCc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2ccc3ccccc3c2)cc1 ZINC000046056551 568425927 /nfs/dbraw/zinc/42/59/27/568425927.db2.gz UXBAVEHCGMNQNY-QFIPXVFZSA-N 0 1 409.489 5.205 50 0 HKAAMN Cc1nn(-c2cc(C)cc(C)c2)c2c1[C@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056554 568425944 /nfs/dbraw/zinc/42/59/44/568425944.db2.gz ZXOLLENLCHEVHI-JOCHJYFZSA-N 0 1 409.489 5.259 50 0 HKAAMN Cc1nn(-c2cc(C)cc(C)c2)c2c1[C@@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056558 568425954 /nfs/dbraw/zinc/42/59/54/568425954.db2.gz ZXOLLENLCHEVHI-QFIPXVFZSA-N 0 1 409.489 5.259 50 0 HKAAMN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056561 568425889 /nfs/dbraw/zinc/42/58/89/568425889.db2.gz KJBCVQLZJBACEI-FQEVSTJZSA-N 0 1 415.880 5.296 50 0 HKAAMN Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056564 568425941 /nfs/dbraw/zinc/42/59/41/568425941.db2.gz KJBCVQLZJBACEI-HXUWFJFHSA-N 0 1 415.880 5.296 50 0 HKAAMN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056566 568425921 /nfs/dbraw/zinc/42/59/21/568425921.db2.gz UIWCZYKLGHSLRU-FQEVSTJZSA-N 0 1 415.880 5.296 50 0 HKAAMN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056569 568425929 /nfs/dbraw/zinc/42/59/29/568425929.db2.gz UIWCZYKLGHSLRU-HXUWFJFHSA-N 0 1 415.880 5.296 50 0 HKAAMN Cc1nn(-c2cccc(Cl)c2C)c2c1C(=C(O)c1cc(C)ccc1C)CC(=O)N2 ZINC000046056698 568425959 /nfs/dbraw/zinc/42/59/59/568425959.db2.gz TWWQDCHAZIQSCQ-QGZVFWFLSA-N 0 1 407.901 5.068 50 0 HKAAMN Cc1nn(-c2cccc(Cl)c2C)c2c1C(=C(O)c1cc(C)ccc1C)CC(=O)N2 ZINC000046056700 568425911 /nfs/dbraw/zinc/42/59/11/568425911.db2.gz TWWQDCHAZIQSCQ-KRWDZBQOSA-N 0 1 407.901 5.068 50 0 HKAAMN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056709 568425855 /nfs/dbraw/zinc/42/58/55/568425855.db2.gz WEQLMBDKJDUZPW-JOCHJYFZSA-N 0 1 409.489 5.259 50 0 HKAAMN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056712 568426102 /nfs/dbraw/zinc/42/61/02/568426102.db2.gz WEQLMBDKJDUZPW-QFIPXVFZSA-N 0 1 409.489 5.259 50 0 HKAAMN Cc1nn(-c2ccc(C)cc2C)c2c1[C@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056886 568426121 /nfs/dbraw/zinc/42/61/21/568426121.db2.gz FSJUWDFKQUVVLQ-OAQYLSRUSA-N 0 1 409.489 5.259 50 0 HKAAMN Cc1nn(-c2ccc(C)cc2C)c2c1[C@@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056889 568426001 /nfs/dbraw/zinc/42/60/01/568426001.db2.gz FSJUWDFKQUVVLQ-NRFANRHFSA-N 0 1 409.489 5.259 50 0 HKAAMN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2ccc3ccccc3c2)c1 ZINC000046057346 568426213 /nfs/dbraw/zinc/42/62/13/568426213.db2.gz JKQZEBGYTQLLAM-JOCHJYFZSA-N 0 1 409.489 5.205 50 0 HKAAMN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2ccc3ccccc3c2)c1 ZINC000046057350 568426253 /nfs/dbraw/zinc/42/62/53/568426253.db2.gz JKQZEBGYTQLLAM-QFIPXVFZSA-N 0 1 409.489 5.205 50 0 HKAAMN CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(SCCC)s3)no2)cc1 ZINC000046086563 568428110 /nfs/dbraw/zinc/42/81/10/568428110.db2.gz IOORUFIPGWBKPA-UHFFFAOYSA-N 0 1 418.544 5.126 50 0 HKAAMN CN(Cc1ccc(OCc2ccccn2)cc1)Cc1ccccc1OC(F)(F)F ZINC000048291018 568435334 /nfs/dbraw/zinc/43/53/34/568435334.db2.gz YQOGYTYVCIWCMS-UHFFFAOYSA-N 0 1 402.416 5.191 50 0 HKAAMN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000048362434 568441615 /nfs/dbraw/zinc/44/16/15/568441615.db2.gz DGTLJMKUAREVQN-BTYIYWSLSA-N 0 1 407.514 5.118 50 0 HKAAMN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000048362437 568441604 /nfs/dbraw/zinc/44/16/04/568441604.db2.gz DGTLJMKUAREVQN-VFNWGFHPSA-N 0 1 407.514 5.118 50 0 HKAAMN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000048362440 568441678 /nfs/dbraw/zinc/44/16/78/568441678.db2.gz DGTLJMKUAREVQN-YCRPNKLZSA-N 0 1 407.514 5.118 50 0 HKAAMN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000048362443 568441617 /nfs/dbraw/zinc/44/16/17/568441617.db2.gz DGTLJMKUAREVQN-QVKFZJNVSA-N 0 1 407.514 5.118 50 0 HKAAMN Cc1nc(-c2cccc(C)c2)sc1-c1cc(C(=O)N2CCc3ccccc3C2)n[nH]1 ZINC000049002310 568446078 /nfs/dbraw/zinc/44/60/78/568446078.db2.gz VPYOTAPUSYAKII-UHFFFAOYSA-N 0 1 414.534 5.016 50 0 HKAAMN O=C([O-])CN1C(c2ccccc2)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000049582809 558850453 /nfs/dbraw/zinc/85/04/53/558850453.db2.gz KFZPWKYCTWLVSI-OAQYLSRUSA-N 0 1 421.294 5.017 50 0 HKAAMN O=C([O-])CN1C(c2ccccc2)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000049582811 558850504 /nfs/dbraw/zinc/85/05/04/558850504.db2.gz KFZPWKYCTWLVSI-NRFANRHFSA-N 0 1 421.294 5.017 50 0 HKAAMN CC(C)[C@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000049590266 568452961 /nfs/dbraw/zinc/45/29/61/568452961.db2.gz OGZOQJPESBARSQ-UUOWRZLLSA-N 0 1 403.570 6.019 50 0 HKAAMN CC(C)[C@@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000049590267 568453051 /nfs/dbraw/zinc/45/30/51/568453051.db2.gz OGZOQJPESBARSQ-MHECFPHRSA-N 0 1 403.570 6.019 50 0 HKAAMN CC(C)[C@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000049590268 568453035 /nfs/dbraw/zinc/45/30/35/568453035.db2.gz OGZOQJPESBARSQ-KOSHJBKYSA-N 0 1 403.570 6.019 50 0 HKAAMN CC(C)[C@@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000049590269 568453076 /nfs/dbraw/zinc/45/30/76/568453076.db2.gz OGZOQJPESBARSQ-HOYKHHGWSA-N 0 1 403.570 6.019 50 0 HKAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)[nH]n2)cc1 ZINC000051315518 560855975 /nfs/dbraw/zinc/85/59/75/560855975.db2.gz WDUUKOUQOCTYKX-UHFFFAOYSA-N 0 1 409.795 5.400 50 0 HKAAMN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000051315694 560856171 /nfs/dbraw/zinc/85/61/71/560856171.db2.gz RNJKNZHPGSPJPX-UHFFFAOYSA-N 0 1 405.457 6.275 50 0 HKAAMN Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1CN(Cc1ccccc1)Cc1ccccc1 ZINC000054219796 569061240 /nfs/dbraw/zinc/06/12/40/569061240.db2.gz MCULONDEFPFYFQ-UHFFFAOYSA-N 0 1 416.952 6.001 50 0 HKAAMN Cc1sc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1-c1ccc(F)cc1 ZINC000054235502 569061485 /nfs/dbraw/zinc/06/14/85/569061485.db2.gz KXPHOPATZNRTNA-UHFFFAOYSA-N 0 1 418.541 5.128 50 0 HKAAMN Cc1cc(Cl)cc2c(=O)c(CN(Cc3ccccc3)Cc3ccccc3)c(C)[nH]c12 ZINC000054268703 569062774 /nfs/dbraw/zinc/06/27/74/569062774.db2.gz YXFLLADEPASCTB-UHFFFAOYSA-N 0 1 416.952 6.001 50 0 HKAAMN O=C(CNCc1ccccc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000054956562 569369273 /nfs/dbraw/zinc/36/92/73/569369273.db2.gz WGZYIDPDAOLAMM-UHFFFAOYSA-N 0 1 414.452 5.625 50 0 HKAAMN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cc(C)c(OC)cc1C)NC2 ZINC000055008566 569375223 /nfs/dbraw/zinc/37/52/23/569375223.db2.gz UMNFUBGCQCAOLZ-VWLOTQADSA-N 0 1 406.526 5.093 50 0 HKAAMN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cc(C)c(OC)cc1C)NC2 ZINC000055008567 569375314 /nfs/dbraw/zinc/37/53/14/569375314.db2.gz UMNFUBGCQCAOLZ-RUZDIDTESA-N 0 1 406.526 5.093 50 0 HKAAMN COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2cccc(C)c2)C3)c1OC ZINC000055036398 569376302 /nfs/dbraw/zinc/37/63/02/569376302.db2.gz VSBYFMMCCCYGAQ-UHFFFAOYSA-N 0 1 419.521 5.082 50 0 HKAAMN CCCN1CCN(C(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)CC1 ZINC000055060369 558870926 /nfs/dbraw/zinc/87/09/26/558870926.db2.gz XSLCTNWZRLKZTD-UHFFFAOYSA-N 0 1 407.945 5.031 50 0 HKAAMN CCCN1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccc(C)cc32)CC1 ZINC000055060422 558870922 /nfs/dbraw/zinc/87/09/22/558870922.db2.gz FTLHZABNGUITOW-UHFFFAOYSA-N 0 1 407.945 5.031 50 0 HKAAMN Cc1ncc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)s1 ZINC000055060595 558871146 /nfs/dbraw/zinc/87/11/46/558871146.db2.gz YGMZYWMNQYZPQC-UHFFFAOYSA-N 0 1 405.567 5.278 50 0 HKAAMN O=C(CC[C@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1)Nc1ccccc1F ZINC000055060815 569381468 /nfs/dbraw/zinc/38/14/68/569381468.db2.gz HPCXJOYWXBVNGV-GCFJHJGGSA-N 0 1 400.925 5.536 50 0 HKAAMN O=C(CC[C@@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1)Nc1ccccc1F ZINC000055060816 569381382 /nfs/dbraw/zinc/38/13/82/569381382.db2.gz HPCXJOYWXBVNGV-RVPSJEOCSA-N 0 1 400.925 5.536 50 0 HKAAMN CCCN1CCN(C(=O)c2cc(-c3ccccc3C)nc3ccc(Cl)cc32)CC1 ZINC000055062782 558871545 /nfs/dbraw/zinc/87/15/45/558871545.db2.gz VXVZKJGZDZPKPC-UHFFFAOYSA-N 0 1 407.945 5.031 50 0 HKAAMN Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)C(=O)CCC1 ZINC000055065537 558871449 /nfs/dbraw/zinc/87/14/49/558871449.db2.gz OHGLORUDWRVTKT-UHFFFAOYSA-N 0 1 422.572 6.171 50 0 HKAAMN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(-c3ccccc3)cc1)NC2 ZINC000055214602 569394002 /nfs/dbraw/zinc/39/40/02/569394002.db2.gz YMBJUTJKIOXNDY-NDEPHWFRSA-N 0 1 424.544 6.134 50 0 HKAAMN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(-c3ccccc3)cc1)NC2 ZINC000055214605 569393983 /nfs/dbraw/zinc/39/39/83/569393983.db2.gz YMBJUTJKIOXNDY-MUUNZHRXSA-N 0 1 424.544 6.134 50 0 HKAAMN c1cnn(C[C@H](NCc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)c2ccccc2)c1 ZINC000055243437 558877062 /nfs/dbraw/zinc/87/70/62/558877062.db2.gz MKHBLIBKIPVSLF-SANMLTNESA-N 0 1 419.532 5.471 50 0 HKAAMN c1cnn(C[C@@H](NCc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)c2ccccc2)c1 ZINC000055243440 558877028 /nfs/dbraw/zinc/87/70/28/558877028.db2.gz MKHBLIBKIPVSLF-AREMUKBSSA-N 0 1 419.532 5.471 50 0 HKAAMN COc1cccc(N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c1 ZINC000055291826 558878643 /nfs/dbraw/zinc/87/86/43/558878643.db2.gz FOZLVIKZMUFVJV-UHFFFAOYSA-N 0 1 408.929 5.463 50 0 HKAAMN Cc1ccc(C)c(N2CCN(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c1 ZINC000055292220 558878665 /nfs/dbraw/zinc/87/86/65/558878665.db2.gz POHWGBXJPFOEDA-UHFFFAOYSA-N 0 1 408.630 5.926 50 0 HKAAMN Cc1ccc(C)c(N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c1 ZINC000055292396 558878628 /nfs/dbraw/zinc/87/86/28/558878628.db2.gz KODJJSRFRGZXBZ-UHFFFAOYSA-N 0 1 406.957 6.071 50 0 HKAAMN Cc1sc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1-c1ccc(C)cc1 ZINC000055416889 568774727 /nfs/dbraw/zinc/77/47/27/568774727.db2.gz KLWKCPUCEZWGCN-UHFFFAOYSA-N 0 1 414.578 5.297 50 0 HKAAMN Cc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1Cl ZINC000055477861 558881554 /nfs/dbraw/zinc/88/15/54/558881554.db2.gz LHBFKPBAODEFFC-UHFFFAOYSA-N 0 1 419.956 5.223 50 0 HKAAMN CC(C)(C)c1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(C(C)(C)C)c1O ZINC000055543387 558882076 /nfs/dbraw/zinc/88/20/76/558882076.db2.gz OKLNOVLBTNJVCF-UHFFFAOYSA-N 0 1 415.021 5.963 50 0 HKAAMN CCn1c2ccccc2c2cc(CN3CCN(c4ccccc4Cl)CC3)ccc21 ZINC000055543449 558882092 /nfs/dbraw/zinc/88/20/92/558882092.db2.gz NZOFDLJBWLJARP-UHFFFAOYSA-N 0 1 403.957 5.790 50 0 HKAAMN Cc1cccc(N2CCN(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c1C ZINC000055543470 558882053 /nfs/dbraw/zinc/88/20/53/558882053.db2.gz VBMGNBBZBNITHP-UHFFFAOYSA-N 0 1 408.630 5.926 50 0 HKAAMN Clc1ccc(Oc2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)cc1 ZINC000055543530 558882108 /nfs/dbraw/zinc/88/21/08/558882108.db2.gz FJQFVDJMOCIODZ-UHFFFAOYSA-N 0 1 413.348 6.108 50 0 HKAAMN CC(C)(C)c1cc(CN2CCN(c3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O ZINC000055543836 558882124 /nfs/dbraw/zinc/88/21/24/558882124.db2.gz CGNJTFKKBVFAQA-UHFFFAOYSA-N 0 1 415.021 5.963 50 0 HKAAMN Clc1ccc(Oc2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c2)cc1 ZINC000055543946 558882004 /nfs/dbraw/zinc/88/20/04/558882004.db2.gz YVLPFNVCIYYCEO-UHFFFAOYSA-N 0 1 413.348 6.108 50 0 HKAAMN Cc1cccc(N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c1C ZINC000055544040 558882024 /nfs/dbraw/zinc/88/20/24/558882024.db2.gz IYXDRMKOEANGOP-UHFFFAOYSA-N 0 1 406.957 6.071 50 0 HKAAMN FC(F)(F)c1cccc(N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000055544068 558882115 /nfs/dbraw/zinc/88/21/15/558882115.db2.gz RCGYJKOYSAQKLF-UHFFFAOYSA-N 0 1 412.455 5.820 50 0 HKAAMN Cc1nc(C)c([C@@H](C)N[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000056215035 568794431 /nfs/dbraw/zinc/79/44/31/568794431.db2.gz LTOSBQYZIPUXTI-APPZFPTMSA-N 0 1 406.766 5.398 50 0 HKAAMN Cc1nc(C)c([C@H](C)N[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000056215036 568794447 /nfs/dbraw/zinc/79/44/47/568794447.db2.gz LTOSBQYZIPUXTI-CBAPKCEASA-N 0 1 406.766 5.398 50 0 HKAAMN Cc1nc(C)c([C@@H](C)N[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000056215037 568794451 /nfs/dbraw/zinc/79/44/51/568794451.db2.gz LTOSBQYZIPUXTI-VXNVDRBHSA-N 0 1 406.766 5.398 50 0 HKAAMN Cc1nc(C)c([C@H](C)N[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000056215038 568794470 /nfs/dbraw/zinc/79/44/70/568794470.db2.gz LTOSBQYZIPUXTI-IONNQARKSA-N 0 1 406.766 5.398 50 0 HKAAMN CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1 ZINC000056961724 558887113 /nfs/dbraw/zinc/88/71/13/558887113.db2.gz SACNIGZYDTUHKB-UHFFFAOYSA-N 0 1 424.653 9.428 50 0 HKAAMN FC(F)(F)c1cccc(N2CCN(CCOc3cccc4ccccc43)CC2)c1 ZINC000057050663 568823692 /nfs/dbraw/zinc/82/36/92/568823692.db2.gz BOHRAKGAVRMLCC-UHFFFAOYSA-N 0 1 400.444 5.060 50 0 HKAAMN O=C1C2=C(CCCC2)[C@@H](N[C@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 ZINC000057256210 568825250 /nfs/dbraw/zinc/82/52/50/568825250.db2.gz JDUZKWIQKHHAOK-DQEYMECFSA-N 0 1 420.984 5.589 50 0 HKAAMN O=C1C2=C(CCCC2)[C@@H](N[C@@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 ZINC000057256211 568825212 /nfs/dbraw/zinc/82/52/12/568825212.db2.gz JDUZKWIQKHHAOK-RPBOFIJWSA-N 0 1 420.984 5.589 50 0 HKAAMN O=C1C2=C(CCCC2)[C@H](N[C@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 ZINC000057256212 568825215 /nfs/dbraw/zinc/82/52/15/568825215.db2.gz JDUZKWIQKHHAOK-LOSJGSFVSA-N 0 1 420.984 5.589 50 0 HKAAMN O=C1C2=C(CCCC2)[C@H](N[C@@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 ZINC000057256213 568825208 /nfs/dbraw/zinc/82/52/08/568825208.db2.gz JDUZKWIQKHHAOK-JWQCQUIFSA-N 0 1 420.984 5.589 50 0 HKAAMN O=C(Nc1ccccc1)c1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000057273680 568825748 /nfs/dbraw/zinc/82/57/48/568825748.db2.gz FOOBTUKRBSHMKG-QFIPXVFZSA-N 0 1 406.551 5.182 50 0 HKAAMN O=C(Nc1ccccc1)c1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000057273683 568825732 /nfs/dbraw/zinc/82/57/32/568825732.db2.gz FOOBTUKRBSHMKG-JOCHJYFZSA-N 0 1 406.551 5.182 50 0 HKAAMN CC(=O)c1oc2ccccc2c1NC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000057315492 568826866 /nfs/dbraw/zinc/82/68/66/568826866.db2.gz NUMDZEGSAWHFAY-NSHDSACASA-N 0 1 405.281 5.232 50 0 HKAAMN CC(=O)c1oc2ccccc2c1NC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000057315493 568826885 /nfs/dbraw/zinc/82/68/85/568826885.db2.gz NUMDZEGSAWHFAY-LLVKDONJSA-N 0 1 405.281 5.232 50 0 HKAAMN c1ccc(CN2CCN(c3nc(-c4ccccc4)nc4c5ccccc5oc43)CC2)cc1 ZINC000057381099 568830639 /nfs/dbraw/zinc/83/06/39/568830639.db2.gz JYSGAOKHJSLNRE-UHFFFAOYSA-N 0 1 420.516 5.365 50 0 HKAAMN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000057412075 568832963 /nfs/dbraw/zinc/83/29/63/568832963.db2.gz QZLLVKOUJAABAF-UHFFFAOYSA-N 0 1 401.853 5.213 50 0 HKAAMN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412228 568832921 /nfs/dbraw/zinc/83/29/21/568832921.db2.gz FDGVTXLXCMOPHK-UHFFFAOYSA-N 0 1 403.869 5.561 50 0 HKAAMN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412251 568833116 /nfs/dbraw/zinc/83/31/16/568833116.db2.gz OUUGMXYOPSBSNP-UHFFFAOYSA-N 0 1 401.853 5.213 50 0 HKAAMN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412508 568833098 /nfs/dbraw/zinc/83/30/98/568833098.db2.gz FPWSSZGUAXSQNV-UHFFFAOYSA-N 0 1 403.869 5.561 50 0 HKAAMN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412528 568833092 /nfs/dbraw/zinc/83/30/92/568833092.db2.gz GPNVTOSVVBKNBZ-UHFFFAOYSA-N 0 1 401.853 5.213 50 0 HKAAMN CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4cccc(Cl)c4)n[nH]3)ccc21 ZINC000057412573 568833163 /nfs/dbraw/zinc/83/31/63/568833163.db2.gz BFOXDIWWDFUTAI-UHFFFAOYSA-N 0 1 414.896 6.110 50 0 HKAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]n2)c(OC)c1 ZINC000057412888 568833167 /nfs/dbraw/zinc/83/31/67/568833167.db2.gz FERMJCJJFLUCGR-UHFFFAOYSA-N 0 1 415.449 5.139 50 0 HKAAMN O=C(Nc1ccc(Br)cc1F)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000057413169 568833277 /nfs/dbraw/zinc/83/32/77/568833277.db2.gz XURPLYWSHBYJJR-UHFFFAOYSA-N 0 1 410.246 5.384 50 0 HKAAMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N(Cc1ccccc1)Cc1ccccc1 ZINC000057413190 568833374 /nfs/dbraw/zinc/83/33/74/568833374.db2.gz XOZAMBYIZZWSDC-UHFFFAOYSA-N 0 1 401.897 5.573 50 0 HKAAMN CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)n[nH]2)cc1 ZINC000057413284 568833247 /nfs/dbraw/zinc/83/32/47/568833247.db2.gz JDDNOVZSPFUXEZ-UHFFFAOYSA-N 0 1 411.505 5.318 50 0 HKAAMN O=C(c1cc(-c2cccc3ccccc32)[nH]n1)N(Cc1ccccc1)Cc1ccccc1 ZINC000057413418 568833265 /nfs/dbraw/zinc/83/32/65/568833265.db2.gz ZQMYPPVWEHLUBK-UHFFFAOYSA-N 0 1 417.512 6.073 50 0 HKAAMN O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000057477012 568839518 /nfs/dbraw/zinc/83/95/18/568839518.db2.gz FNZNMQZNCCHGHZ-UHFFFAOYSA-N 0 1 411.086 5.398 50 0 HKAAMN C[C@H](N[C@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000057508736 568847523 /nfs/dbraw/zinc/84/75/23/568847523.db2.gz FUKZBLFDOFKNIJ-LIRRHRJNSA-N 0 1 415.356 5.217 50 0 HKAAMN C[C@@H](N[C@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000057508737 568847442 /nfs/dbraw/zinc/84/74/42/568847442.db2.gz FUKZBLFDOFKNIJ-KUHUBIRLSA-N 0 1 415.356 5.217 50 0 HKAAMN C[C@H](N[C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000057508742 568847452 /nfs/dbraw/zinc/84/74/52/568847452.db2.gz FUKZBLFDOFKNIJ-IFXJQAMLSA-N 0 1 415.356 5.217 50 0 HKAAMN C[C@@H](N[C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000057508747 568847417 /nfs/dbraw/zinc/84/74/17/568847417.db2.gz FUKZBLFDOFKNIJ-AUUYWEPGSA-N 0 1 415.356 5.217 50 0 HKAAMN CC(C)c1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)cc1 ZINC000057510930 568848631 /nfs/dbraw/zinc/84/86/31/568848631.db2.gz CUARHTUISMGITQ-UHFFFAOYSA-N 0 1 409.287 5.680 50 0 HKAAMN C[C@H](N[C@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000057593865 568854646 /nfs/dbraw/zinc/85/46/46/568854646.db2.gz LAWMZDSMQXGDAW-LIRRHRJNSA-N 0 1 415.356 5.217 50 0 HKAAMN C[C@@H](N[C@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000057593871 568854668 /nfs/dbraw/zinc/85/46/68/568854668.db2.gz LAWMZDSMQXGDAW-KUHUBIRLSA-N 0 1 415.356 5.217 50 0 HKAAMN C[C@H](N[C@@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000057593876 568854748 /nfs/dbraw/zinc/85/47/48/568854748.db2.gz LAWMZDSMQXGDAW-IFXJQAMLSA-N 0 1 415.356 5.217 50 0 HKAAMN C[C@@H](N[C@@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000057593881 568854704 /nfs/dbraw/zinc/85/47/04/568854704.db2.gz LAWMZDSMQXGDAW-AUUYWEPGSA-N 0 1 415.356 5.217 50 0 HKAAMN Cc1cc2oc(=O)cc(CN(Cc3ccccc3)Cc3ccccc3)c2cc1C(C)C ZINC000057945241 558891682 /nfs/dbraw/zinc/89/16/82/558891682.db2.gz OZKQTSVUAVJNML-UHFFFAOYSA-N 0 1 411.545 6.427 50 0 HKAAMN CCCN1CCN(C(=O)c2cnc(Nc3ccc(C)c(Cl)c3)c3ccccc23)CC1 ZINC000058011407 568875913 /nfs/dbraw/zinc/87/59/13/568875913.db2.gz MSGYKWVCANKJCL-UHFFFAOYSA-N 0 1 422.960 5.108 50 0 HKAAMN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000058012663 568876132 /nfs/dbraw/zinc/87/61/32/568876132.db2.gz REYUDEWFDVRERN-SANMLTNESA-N 0 1 404.598 5.440 50 0 HKAAMN Cc1ccc([C@H](C(=O)NC2CCCCC2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000058012665 568876210 /nfs/dbraw/zinc/87/62/10/568876210.db2.gz REYUDEWFDVRERN-AREMUKBSSA-N 0 1 404.598 5.440 50 0 HKAAMN O=C(c1cc2c(s1)c1ccccc1nc2Cl)N1CCN(C2CCCCC2)CC1 ZINC000058056728 568881503 /nfs/dbraw/zinc/88/15/03/568881503.db2.gz BYEQPGLBYBUJRJ-UHFFFAOYSA-N 0 1 413.974 5.193 50 0 HKAAMN Cc1c(C(=O)Nc2cc(CN3CCSCC3)ccc2C)sc2cccc(F)c12 ZINC000058158592 558903821 /nfs/dbraw/zinc/90/38/21/558903821.db2.gz MWZCQPYCLAFDRO-UHFFFAOYSA-N 0 1 414.571 5.458 50 0 HKAAMN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000058159645 558904614 /nfs/dbraw/zinc/90/46/14/558904614.db2.gz REVHXXAHXSLHJT-ROUUACIJSA-N 0 1 404.510 5.049 50 0 HKAAMN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000058159647 558904650 /nfs/dbraw/zinc/90/46/50/558904650.db2.gz REVHXXAHXSLHJT-MSOLQXFVSA-N 0 1 404.510 5.049 50 0 HKAAMN COc1ccc(OC)c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000058159649 558904640 /nfs/dbraw/zinc/90/46/40/558904640.db2.gz REVHXXAHXSLHJT-ZWKOTPCHSA-N 0 1 404.510 5.049 50 0 HKAAMN COc1ccc(OC)c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000058159650 558904577 /nfs/dbraw/zinc/90/45/77/558904577.db2.gz REVHXXAHXSLHJT-QZTJIDSGSA-N 0 1 404.510 5.049 50 0 HKAAMN COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000058166232 558906932 /nfs/dbraw/zinc/90/69/32/558906932.db2.gz QCPBWWRLIAKLLI-DEOSSOPVSA-N 0 1 404.510 5.015 50 0 HKAAMN COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000058166233 558906914 /nfs/dbraw/zinc/90/69/14/558906914.db2.gz QCPBWWRLIAKLLI-XMMPIXPASA-N 0 1 404.510 5.015 50 0 HKAAMN CC(C)(NCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000058178010 558909923 /nfs/dbraw/zinc/90/99/23/558909923.db2.gz AZVFBNFYPCFINU-UHFFFAOYSA-N 0 1 406.140 5.764 50 0 HKAAMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2OCc2cscn2)cc1 ZINC000058202332 558911547 /nfs/dbraw/zinc/91/15/47/558911547.db2.gz PDMSNYGVVRBKFN-OAHLLOKOSA-N 0 1 402.541 5.036 50 0 HKAAMN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2OCc2cscn2)cc1 ZINC000058202333 558911504 /nfs/dbraw/zinc/91/15/04/558911504.db2.gz PDMSNYGVVRBKFN-HNNXBMFYSA-N 0 1 402.541 5.036 50 0 HKAAMN CC(C)(NCC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000058325134 558919632 /nfs/dbraw/zinc/91/96/32/558919632.db2.gz KIPMZIQJQAGXAX-UHFFFAOYSA-N 0 1 416.146 5.219 50 0 HKAAMN Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000059647041 558937957 /nfs/dbraw/zinc/93/79/57/558937957.db2.gz OUXLGJKDPVYYFI-UHFFFAOYSA-N 0 1 419.956 5.223 50 0 HKAAMN CN(C)/C=C(/C=C1\CCCC2=C1O[C@H](N(C)C)C(c1ccccc1)=C2)c1ccccc1 ZINC000059942402 558620384 /nfs/dbraw/zinc/62/03/84/558620384.db2.gz JNEITWJXNGTTIY-XLMHAHFNSA-N 0 1 412.577 5.955 50 0 HKAAMN C[C@@H](c1ccccc1)N(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)CC1CC1 ZINC000060339131 558852043 /nfs/dbraw/zinc/85/20/43/558852043.db2.gz IOAPCIOZTQWIJL-AWEZNQCLSA-N 0 1 402.325 6.017 50 0 HKAAMN C[C@H](c1ccccc1)N(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)CC1CC1 ZINC000060339132 558852057 /nfs/dbraw/zinc/85/20/57/558852057.db2.gz IOAPCIOZTQWIJL-CQSZACIVSA-N 0 1 402.325 6.017 50 0 HKAAMN CCc1ccc(-c2nc3ccccn3c2CNCc2ccccc2Br)cc1 ZINC000063666740 569000938 /nfs/dbraw/zinc/00/09/38/569000938.db2.gz KVCAGNKNFJILAF-UHFFFAOYSA-N 0 1 420.354 5.616 50 0 HKAAMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000063809566 569016798 /nfs/dbraw/zinc/01/67/98/569016798.db2.gz XQBBJBYAHJTVCT-VIFPVBQESA-N 0 1 408.310 5.138 50 0 HKAAMN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C(O)c1cccc3ccccc31)CC(=O)N2 ZINC000064450200 569062800 /nfs/dbraw/zinc/06/28/00/569062800.db2.gz ZVULIIODRUWGKZ-JOCHJYFZSA-N 0 1 409.489 5.259 50 0 HKAAMN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C(O)c1cccc3ccccc31)CC(=O)N2 ZINC000064450201 569062760 /nfs/dbraw/zinc/06/27/60/569062760.db2.gz ZVULIIODRUWGKZ-QFIPXVFZSA-N 0 1 409.489 5.259 50 0 HKAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000064670121 569079043 /nfs/dbraw/zinc/07/90/43/569079043.db2.gz AYSZMOAQDRENEV-UHFFFAOYSA-N 0 1 422.959 5.280 50 0 HKAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000064670123 569079021 /nfs/dbraw/zinc/07/90/21/569079021.db2.gz HZLRKRHJADCWSR-UHFFFAOYSA-N 0 1 422.959 5.280 50 0 HKAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000064670166 569079121 /nfs/dbraw/zinc/07/91/21/569079121.db2.gz YWXRIPHFMQETBA-UHFFFAOYSA-N 0 1 422.959 5.280 50 0 HKAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000064670168 569079072 /nfs/dbraw/zinc/07/90/72/569079072.db2.gz OQMYHTGIQQBAMJ-UHFFFAOYSA-N 0 1 422.959 5.280 50 0 HKAAMN CCc1csc(-c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3F)s2)n1 ZINC000064755838 569089670 /nfs/dbraw/zinc/08/96/70/569089670.db2.gz ADYKYTQEMICLNU-UHFFFAOYSA-N 0 1 402.925 5.027 50 0 HKAAMN CC(C)c1csc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)n1 ZINC000064755872 569089747 /nfs/dbraw/zinc/08/97/47/569089747.db2.gz YXWIPJXJHCPGEZ-UHFFFAOYSA-N 0 1 400.497 5.074 50 0 HKAAMN CCc1csc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3F)s2)n1 ZINC000064769374 569092646 /nfs/dbraw/zinc/09/26/46/569092646.db2.gz COUWIJFVIIQQFH-UHFFFAOYSA-N 0 1 402.925 5.027 50 0 HKAAMN CC(C)c1csc(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)s2)n1 ZINC000064769434 569092641 /nfs/dbraw/zinc/09/26/41/569092641.db2.gz OPDRMYGHBXHBIH-UHFFFAOYSA-N 0 1 400.497 5.074 50 0 HKAAMN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000064837451 569104627 /nfs/dbraw/zinc/10/46/27/569104627.db2.gz VGRBVGBAVDGRSY-UHFFFAOYSA-N 0 1 410.417 5.086 50 0 HKAAMN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cccc(C(F)(F)F)c2)on1 ZINC000064845309 569108063 /nfs/dbraw/zinc/10/80/63/569108063.db2.gz DTOBOKVHNXSZED-UHFFFAOYSA-N 0 1 416.446 5.148 50 0 HKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(Cl)cc2C)c1C ZINC000064845698 569108136 /nfs/dbraw/zinc/10/81/36/569108136.db2.gz BUXCNPGUXOZONJ-UHFFFAOYSA-N 0 1 410.948 5.399 50 0 HKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cc(Cl)ccc2C)c1C ZINC000064845702 569108084 /nfs/dbraw/zinc/10/80/84/569108084.db2.gz FTGJMBOZUCMUBN-UHFFFAOYSA-N 0 1 410.948 5.399 50 0 HKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cccc(Cl)c2C)c1C ZINC000064845785 569108167 /nfs/dbraw/zinc/10/81/67/569108167.db2.gz ULXGQNTYZQSIHX-UHFFFAOYSA-N 0 1 410.948 5.399 50 0 HKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1C ZINC000064845788 569108176 /nfs/dbraw/zinc/10/81/76/569108176.db2.gz PHWIFAXGIPLYLC-UHFFFAOYSA-N 0 1 410.948 5.399 50 0 HKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2c(C)cc(C)cc2C)c1C ZINC000064845810 569108249 /nfs/dbraw/zinc/10/82/49/569108249.db2.gz AUMWWLFWCNMBPD-UHFFFAOYSA-N 0 1 404.557 5.363 50 0 HKAAMN CCc1cccc(C)c1NS(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C ZINC000064845825 569108192 /nfs/dbraw/zinc/10/81/92/569108192.db2.gz IBWYAVZJSZWIIX-UHFFFAOYSA-N 0 1 404.557 5.308 50 0 HKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(C(C)C)cc2)c1C ZINC000064845838 569108234 /nfs/dbraw/zinc/10/82/34/569108234.db2.gz PKEGZNDQKGSFFO-UHFFFAOYSA-N 0 1 404.557 5.561 50 0 HKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1C ZINC000064845860 569108243 /nfs/dbraw/zinc/10/82/43/569108243.db2.gz KMGNWSXHJGXXND-UHFFFAOYSA-N 0 1 414.911 5.230 50 0 HKAAMN O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004486 569152493 /nfs/dbraw/zinc/15/24/93/569152493.db2.gz ORXPWNVUBUAWBZ-UHFFFAOYSA-N 0 1 412.895 5.264 50 0 HKAAMN O=S(=O)(Nc1cc(F)ccc1F)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004574 558969175 /nfs/dbraw/zinc/96/91/75/558969175.db2.gz SRBJBNABNYKNOM-UHFFFAOYSA-N 0 1 410.467 5.140 50 0 HKAAMN O=S(=O)(Nc1ccc(F)cc1F)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004634 558969199 /nfs/dbraw/zinc/96/91/99/558969199.db2.gz ZLOSREPOMVZHJF-UHFFFAOYSA-N 0 1 410.467 5.140 50 0 HKAAMN CCOc1ccccc1NS(=O)(=O)c1cc(-c2csc(C)n2)ccc1C(C)C ZINC000065060167 569163977 /nfs/dbraw/zinc/16/39/77/569163977.db2.gz XHBIOLOOTMVSQM-UHFFFAOYSA-N 0 1 416.568 5.441 50 0 HKAAMN COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2csc(C)n2)ccc1C(C)C ZINC000065060173 569163967 /nfs/dbraw/zinc/16/39/67/569163967.db2.gz ABLZQTNHVQOZFJ-UHFFFAOYSA-N 0 1 416.568 5.360 50 0 HKAAMN COc1ccccc1NS(=O)(=O)c1cc(-c2csc(C)n2)ccc1C(C)C ZINC000065060175 569163854 /nfs/dbraw/zinc/16/38/54/569163854.db2.gz OHBIUMAATLZLJZ-UHFFFAOYSA-N 0 1 402.541 5.051 50 0 HKAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000065060268 569164034 /nfs/dbraw/zinc/16/40/34/569164034.db2.gz PUVIXFXCQWRSLD-UHFFFAOYSA-N 0 1 416.568 5.243 50 0 HKAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1c(C)cccc1CC ZINC000065060275 569164022 /nfs/dbraw/zinc/16/40/22/569164022.db2.gz OOQVDXUKJUAIAF-UHFFFAOYSA-N 0 1 416.568 5.189 50 0 HKAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000065060279 569164102 /nfs/dbraw/zinc/16/41/02/569164102.db2.gz SWKUUESNGLLRMV-UHFFFAOYSA-N 0 1 416.568 5.441 50 0 HKAAMN CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000065322241 569224457 /nfs/dbraw/zinc/22/44/57/569224457.db2.gz ROXHNMGOKLEBMC-UHFFFAOYSA-N 0 1 404.558 5.239 50 0 HKAAMN Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CN2CCC(C)CC2)n3C(C)C)c1 ZINC000065322302 569224535 /nfs/dbraw/zinc/22/45/35/569224535.db2.gz NELKPZJGGYIAFZ-UHFFFAOYSA-N 0 1 404.558 5.410 50 0 HKAAMN Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C(C)C ZINC000065322306 569224613 /nfs/dbraw/zinc/22/46/13/569224613.db2.gz ARDQWRRUQWJQDW-UHFFFAOYSA-N 0 1 404.558 5.410 50 0 HKAAMN CC(C)n1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000065322309 569224586 /nfs/dbraw/zinc/22/45/86/569224586.db2.gz PPIHKEHMQWQSNM-UHFFFAOYSA-N 0 1 424.976 5.755 50 0 HKAAMN CC(C)n1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000065322310 569224573 /nfs/dbraw/zinc/22/45/73/569224573.db2.gz DGXWASDBPGQVHL-UHFFFAOYSA-N 0 1 424.976 5.755 50 0 HKAAMN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCC(C)CC2)n3C(C)C)cc1 ZINC000065322312 569224527 /nfs/dbraw/zinc/22/45/27/569224527.db2.gz ROLJTOBWGVLKQL-UHFFFAOYSA-N 0 1 420.557 5.110 50 0 HKAAMN CC(C)n1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000065322319 569224626 /nfs/dbraw/zinc/22/46/26/569224626.db2.gz ZJVPNBVUMYYNLU-UHFFFAOYSA-N 0 1 408.521 5.241 50 0 HKAAMN CCCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000065322374 569224567 /nfs/dbraw/zinc/22/45/67/569224567.db2.gz HBHFOFLFUCKXPL-UHFFFAOYSA-N 0 1 404.558 5.321 50 0 HKAAMN CCCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000065322385 569224517 /nfs/dbraw/zinc/22/45/17/569224517.db2.gz OEPVUHZEMUWOTI-UHFFFAOYSA-N 0 1 410.587 5.382 50 0 HKAAMN Cc1cc(C)c2nc(-c3c(O)c(C(C)(C)C)cc(C(C)(C)C)cc3=O)cc(Cl)c2c1 ZINC000067317179 571076181 /nfs/dbraw/zinc/07/61/81/571076181.db2.gz KWQQWLSRJMJZPL-UHFFFAOYSA-N 0 1 423.984 6.833 50 0 HKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2S[C@H](c2cccs2)C1 ZINC000068734536 571134541 /nfs/dbraw/zinc/13/45/41/571134541.db2.gz PKIIEHJWGZZTDA-FQEVSTJZSA-N 0 1 419.527 6.226 50 0 HKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2S[C@@H](c2cccs2)C1 ZINC000068734539 571134549 /nfs/dbraw/zinc/13/45/49/571134549.db2.gz PKIIEHJWGZZTDA-HXUWFJFHSA-N 0 1 419.527 6.226 50 0 HKAAMN O=C(C1CC1)N1CCCCC[C@H]1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000069872007 571247864 /nfs/dbraw/zinc/24/78/64/571247864.db2.gz IENQGENAIWREFJ-NRFANRHFSA-N 0 1 408.508 5.099 50 0 HKAAMN O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000069872012 571247791 /nfs/dbraw/zinc/24/77/91/571247791.db2.gz IENQGENAIWREFJ-OAQYLSRUSA-N 0 1 408.508 5.099 50 0 HKAAMN Cc1cc(Nc2ccc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c3c2)c2ccccc2n1 ZINC000071405488 571293814 /nfs/dbraw/zinc/29/38/14/571293814.db2.gz WLYDUKDONMTQHU-UHFFFAOYSA-N 0 1 419.315 7.137 50 0 HKAAMN Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000072260004 558653582 /nfs/dbraw/zinc/65/35/82/558653582.db2.gz BPYOMVXWGUNMOQ-RUZDIDTESA-N 0 1 405.586 5.053 50 0 HKAAMN Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000072260005 558653640 /nfs/dbraw/zinc/65/36/40/558653640.db2.gz BPYOMVXWGUNMOQ-VWLOTQADSA-N 0 1 405.586 5.053 50 0 HKAAMN Cc1ccc([C@@H](c2ccccc2C)N2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000072260006 558653644 /nfs/dbraw/zinc/65/36/44/558653644.db2.gz OOWZNMIZBZRZST-VWLOTQADSA-N 0 1 405.586 5.053 50 0 HKAAMN Cc1ccc([C@H](c2ccccc2C)N2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000072260007 558653809 /nfs/dbraw/zinc/65/38/09/558653809.db2.gz OOWZNMIZBZRZST-RUZDIDTESA-N 0 1 405.586 5.053 50 0 HKAAMN Cc1ccc([C@@H](c2ccccc2C)N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000072265285 558666505 /nfs/dbraw/zinc/66/65/05/558666505.db2.gz OGANKKOANZVVNE-SANMLTNESA-N 0 1 413.565 5.551 50 0 HKAAMN Cc1ccc([C@H](c2ccccc2C)N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000072265286 558666498 /nfs/dbraw/zinc/66/64/98/558666498.db2.gz OGANKKOANZVVNE-AREMUKBSSA-N 0 1 413.565 5.551 50 0 HKAAMN Cc1ccc([C@@H](c2ccccc2C)N2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000072265287 558666538 /nfs/dbraw/zinc/66/65/38/558666538.db2.gz NDLMKWXDVOPKLC-SANMLTNESA-N 0 1 413.565 5.551 50 0 HKAAMN Cc1ccc([C@H](c2ccccc2C)N2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000072265288 558666446 /nfs/dbraw/zinc/66/64/46/558666446.db2.gz NDLMKWXDVOPKLC-AREMUKBSSA-N 0 1 413.565 5.551 50 0 HKAAMN CSCC[C@H](C)N(C)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000072290444 558723222 /nfs/dbraw/zinc/72/32/22/558723222.db2.gz HRVLHIPDPIWYIQ-QMMMGPOBSA-N 0 1 404.190 5.312 50 0 HKAAMN CSCC[C@@H](C)N(C)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000072290445 558723361 /nfs/dbraw/zinc/72/33/61/558723361.db2.gz HRVLHIPDPIWYIQ-MRVPVSSYSA-N 0 1 404.190 5.312 50 0 HKAAMN Cc1cc(-c2csc(Cc3nnc(-c4ccccc4)[nH]3)n2)c(C)n1CC(F)(F)F ZINC000072294559 558741759 /nfs/dbraw/zinc/74/17/59/558741759.db2.gz JUDBFIDBFZBMBF-UHFFFAOYSA-N 0 1 417.460 5.167 50 0 HKAAMN Cc1cc(-c2csc(Cc3n[nH]c(-c4ccccc4)n3)n2)c(C)n1CC(F)(F)F ZINC000072294559 558741762 /nfs/dbraw/zinc/74/17/62/558741762.db2.gz JUDBFIDBFZBMBF-UHFFFAOYSA-N 0 1 417.460 5.167 50 0 HKAAMN Brc1ccsc1-c1csc(Cc2nnc(-c3ccccc3)[nH]2)n1 ZINC000072294560 559088593 /nfs/dbraw/zinc/08/85/93/559088593.db2.gz GZHGPCVUHGYZCS-UHFFFAOYSA-N 0 1 403.330 5.010 50 0 HKAAMN Brc1ccsc1-c1csc(Cc2n[nH]c(-c3ccccc3)n2)n1 ZINC000072294560 559088595 /nfs/dbraw/zinc/08/85/95/559088595.db2.gz GZHGPCVUHGYZCS-UHFFFAOYSA-N 0 1 403.330 5.010 50 0 HKAAMN O=C(Nc1ccccc1)c1ccc(CN[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000072296317 558749083 /nfs/dbraw/zinc/74/90/83/558749083.db2.gz RDIJMBPAZWYVLH-DEOSSOPVSA-N 0 1 416.521 6.019 50 0 HKAAMN O=C(Nc1ccccc1)c1ccc(CN[C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000072296318 558749107 /nfs/dbraw/zinc/74/91/07/558749107.db2.gz RDIJMBPAZWYVLH-XMMPIXPASA-N 0 1 416.521 6.019 50 0 HKAAMN Cc1nc([C@@H]2CCCN2C(=O)Nc2c(C)nn(C(C)C)c2C)[nH]c1-c1ccccc1 ZINC000072305877 558762350 /nfs/dbraw/zinc/76/23/50/558762350.db2.gz LIIIQQMJKBCMQE-IBGZPJMESA-N 0 1 406.534 5.148 50 0 HKAAMN Cc1nc([C@H]2CCCN2C(=O)Nc2c(C)nn(C(C)C)c2C)[nH]c1-c1ccccc1 ZINC000072305878 558762280 /nfs/dbraw/zinc/76/22/80/558762280.db2.gz LIIIQQMJKBCMQE-LJQANCHMSA-N 0 1 406.534 5.148 50 0 HKAAMN CCCN(CCCc1nc2ccccc2o1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000072308187 558768887 /nfs/dbraw/zinc/76/88/87/558768887.db2.gz NWGBSFIDVOVFSN-UHFFFAOYSA-N 0 1 410.905 5.376 50 0 HKAAMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1CCC(=O)Nc1ccccc1Cl ZINC000072308894 558771658 /nfs/dbraw/zinc/77/16/58/558771658.db2.gz ITONPGMHGJITSW-NRFANRHFSA-N 0 1 410.949 5.436 50 0 HKAAMN CC(C)n1c2ccccc2nc1[C@H]1CCCN1CCC(=O)Nc1ccccc1Cl ZINC000072308895 558771689 /nfs/dbraw/zinc/77/16/89/558771689.db2.gz ITONPGMHGJITSW-OAQYLSRUSA-N 0 1 410.949 5.436 50 0 HKAAMN Cc1ccccc1NC(=O)Cc1nc(CN2CCCC[C@@H]2Cc2ccccc2)cs1 ZINC000072309147 559162301 /nfs/dbraw/zinc/16/23/01/559162301.db2.gz DMGXXBZWCVIINN-JOCHJYFZSA-N 0 1 419.594 5.230 50 0 HKAAMN Cc1ccccc1NC(=O)Cc1nc(CN2CCCC[C@H]2Cc2ccccc2)cs1 ZINC000072309148 559162279 /nfs/dbraw/zinc/16/22/79/559162279.db2.gz DMGXXBZWCVIINN-QFIPXVFZSA-N 0 1 419.594 5.230 50 0 HKAAMN Cc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)c(C(C)C)cc1Br ZINC000072414276 558891125 /nfs/dbraw/zinc/89/11/25/558891125.db2.gz AWGCYQPUJDHZRZ-UHFFFAOYSA-N 0 1 419.344 5.230 50 0 HKAAMN COC[C@@H](c1ccccn1)N(C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072420427 558978285 /nfs/dbraw/zinc/97/82/85/558978285.db2.gz GYXRKDKDZBRQNC-NRFANRHFSA-N 0 1 403.551 5.486 50 0 HKAAMN COC[C@H](c1ccccn1)N(C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072420428 558978394 /nfs/dbraw/zinc/97/83/94/558978394.db2.gz GYXRKDKDZBRQNC-OAQYLSRUSA-N 0 1 403.551 5.486 50 0 HKAAMN Cc1cc([C@@H]2CCCN2Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)on1 ZINC000072421258 558978421 /nfs/dbraw/zinc/97/84/21/558978421.db2.gz CENKQUFNPDLTCK-QFIPXVFZSA-N 0 1 421.903 6.328 50 0 HKAAMN Cc1cc([C@H]2CCCN2Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)on1 ZINC000072421259 558978348 /nfs/dbraw/zinc/97/83/48/558978348.db2.gz CENKQUFNPDLTCK-JOCHJYFZSA-N 0 1 421.903 6.328 50 0 HKAAMN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC(F)(F)CC1 ZINC000072427250 558979118 /nfs/dbraw/zinc/97/91/18/558979118.db2.gz JJANTIMSLYZROO-UHFFFAOYSA-N 0 1 403.423 5.357 50 0 HKAAMN FC1(F)CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000072474412 558983770 /nfs/dbraw/zinc/98/37/70/558983770.db2.gz KPIXZNPDPDWNQV-UHFFFAOYSA-N 0 1 407.464 5.576 50 0 HKAAMN CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000076941130 523558640 /nfs/dbraw/zinc/55/86/40/523558640.db2.gz ULXGHZHMDSCTOI-UHFFFAOYSA-N 0 1 422.916 5.677 50 0 HKAAMN CCc1nnc(-c2c(C)[nH]c(-c3ccccc3)c2-c2c(CC)onc2-c2ccccc2)[nH]1 ZINC000077099420 571310998 /nfs/dbraw/zinc/31/09/98/571310998.db2.gz CVQIJJWEIBRQFL-UHFFFAOYSA-N 0 1 423.520 6.222 50 0 HKAAMN FC(F)(F)c1nnc(C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)o1 ZINC000077198052 571312713 /nfs/dbraw/zinc/31/27/13/571312713.db2.gz POEGZQGQSIGINU-UHFFFAOYSA-N 0 1 417.431 5.047 50 0 HKAAMN Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 ZINC000077358214 559002413 /nfs/dbraw/zinc/00/24/13/559002413.db2.gz UKUASIOEFBAWFT-UHFFFAOYSA-N 0 1 411.452 5.006 50 0 HKAAMN Cc1nc(COc2ccc(CN[C@@H](CC(C)C)c3nc4ccccc4[nH]3)cc2)cs1 ZINC000078869822 569420865 /nfs/dbraw/zinc/42/08/65/569420865.db2.gz LNWJIVKZQIPCCA-QHCPKHFHSA-N 0 1 420.582 5.784 50 0 HKAAMN Cc1nc(COc2ccc(CN[C@H](CC(C)C)c3nc4ccccc4[nH]3)cc2)cs1 ZINC000078869825 569420918 /nfs/dbraw/zinc/42/09/18/569420918.db2.gz LNWJIVKZQIPCCA-HSZRJFAPSA-N 0 1 420.582 5.784 50 0 HKAAMN CCC(=O)N1CCCN(Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 ZINC000079016425 569424009 /nfs/dbraw/zinc/42/40/09/569424009.db2.gz MKRAPDMFYZFDMA-UHFFFAOYSA-N 0 1 413.974 5.061 50 0 HKAAMN O=C(CN1CCCCC[C@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052014 569425726 /nfs/dbraw/zinc/42/57/26/569425726.db2.gz CVFSFZOCGDMFRB-GHTZIAJQSA-N 0 1 420.475 5.012 50 0 HKAAMN O=C(CN1CCCCC[C@H]1C[C@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052021 569425715 /nfs/dbraw/zinc/42/57/15/569425715.db2.gz CVFSFZOCGDMFRB-RXVVDRJESA-N 0 1 420.475 5.012 50 0 HKAAMN O=C(CN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052024 560541509 /nfs/dbraw/zinc/54/15/09/560541509.db2.gz CVFSFZOCGDMFRB-WIYYLYMNSA-N 0 1 420.475 5.012 50 0 HKAAMN O=C(CN1CCCCC[C@@H]1C[C@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052031 569425678 /nfs/dbraw/zinc/42/56/78/569425678.db2.gz CVFSFZOCGDMFRB-NQIIRXRSSA-N 0 1 420.475 5.012 50 0 HKAAMN CC(C)(C)N(Cc1nnc(-c2ccccc2Br)o1)Cc1ccccc1 ZINC000079065306 569426604 /nfs/dbraw/zinc/42/66/04/569426604.db2.gz VRNPMOQBNHFUHC-UHFFFAOYSA-N 0 1 400.320 5.300 50 0 HKAAMN Cc1[nH]c(SCc2cn3cc(Br)ccc3n2)nc1Cc1ccccc1 ZINC000084052219 568933823 /nfs/dbraw/zinc/93/38/23/568933823.db2.gz QESWFWTYVBEDEB-UHFFFAOYSA-N 0 1 413.344 5.011 50 0 HKAAMN O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1cc(-c2ccccc2Cl)on1 ZINC000084514455 568950064 /nfs/dbraw/zinc/95/00/64/568950064.db2.gz CALFKOYYIMHLAZ-UHFFFAOYSA-N 0 1 417.277 5.419 50 0 HKAAMN FC(F)(F)c1ccc2nc(SCc3nnc(-c4ccccc4Cl)o3)[nH]c2c1 ZINC000084514905 568950001 /nfs/dbraw/zinc/95/00/01/568950001.db2.gz PMYHIPGXYBKKIX-UHFFFAOYSA-N 0 1 410.808 5.577 50 0 HKAAMN O=C([C@@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1)N1CCCC1 ZINC000084519348 568950017 /nfs/dbraw/zinc/95/00/17/568950017.db2.gz CMHGMAZHEDEQNL-KRWDZBQOSA-N 0 1 405.445 5.038 50 0 HKAAMN O=C([C@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1)N1CCCC1 ZINC000084519349 568950012 /nfs/dbraw/zinc/95/00/12/568950012.db2.gz CMHGMAZHEDEQNL-QGZVFWFLSA-N 0 1 405.445 5.038 50 0 HKAAMN CSc1ccc(/C=C2\CN(C)C[C@@H]3C2=NN(C)[C@H]3c2ccc(SC)cc2)cc1 ZINC000085388999 568984373 /nfs/dbraw/zinc/98/43/73/568984373.db2.gz AXTUZIIIXMUDOU-AFTIPQHOSA-N 0 1 409.624 5.118 50 0 HKAAMN CSc1ccc(-c2noc(-c3cc(-c4cccc(Br)c4)n[nH]3)n2)cc1 ZINC000085659768 569006533 /nfs/dbraw/zinc/00/65/33/569006533.db2.gz HKFVIYXHDYSRKJ-UHFFFAOYSA-N 0 1 413.300 5.278 50 0 HKAAMN CC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000089331613 569058334 /nfs/dbraw/zinc/05/83/34/569058334.db2.gz GASOEMXWKPYAAQ-UHFFFAOYSA-N 0 1 401.871 5.136 50 0 HKAAMN Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](c4nc5ccc(C)cc5[nH]4)C3)s2)o1 ZINC000089657586 569261800 /nfs/dbraw/zinc/26/18/00/569261800.db2.gz CWASHESXFHIAAG-MRXNPFEDSA-N 0 1 420.538 5.224 50 0 HKAAMN Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](c4nc5ccc(C)cc5[nH]4)C3)s2)o1 ZINC000089657587 569261832 /nfs/dbraw/zinc/26/18/32/569261832.db2.gz CWASHESXFHIAAG-INIZCTEOSA-N 0 1 420.538 5.224 50 0 HKAAMN FC(F)(F)c1cc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2n1 ZINC000089866633 569267441 /nfs/dbraw/zinc/26/74/41/569267441.db2.gz CBQSIQWAQVPHMY-UHFFFAOYSA-N 0 1 419.878 5.984 50 0 HKAAMN O=C(Nc1nc(-c2ccccc2)ns1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000095364816 568601914 /nfs/dbraw/zinc/60/19/14/568601914.db2.gz QVOOTFKYENSPRY-UHFFFAOYSA-N 0 1 420.108 5.466 50 0 HKAAMN c1ccc(COc2ccc(CNCc3ccccn3)cc2OCc2ccccc2)cc1 ZINC000095377567 568603307 /nfs/dbraw/zinc/60/33/07/568603307.db2.gz ZHSOGYRMGVTOLP-UHFFFAOYSA-N 0 1 410.517 5.529 50 0 HKAAMN COc1ccc(CN(Cc2nnc(-c3ccccc3)o2)C2CCCCC2)cc1OC ZINC000095389770 568603892 /nfs/dbraw/zinc/60/38/92/568603892.db2.gz XBYBAFKVNLSEKD-UHFFFAOYSA-N 0 1 407.514 5.089 50 0 HKAAMN COc1cc(CN2CCC(C(=O)c3ccccc3)CC2)ccc1OCc1cccs1 ZINC000095453936 568615869 /nfs/dbraw/zinc/61/58/69/568615869.db2.gz JYCSGMKWNWEISJ-UHFFFAOYSA-N 0 1 421.562 5.431 50 0 HKAAMN COc1cccc(OC)c1Oc1ccc(CN[C@@H](c2ccc(C)o2)C2CCCC2)cn1 ZINC000095462782 568621635 /nfs/dbraw/zinc/62/16/35/568621635.db2.gz DLIHIGOQRLFVTN-XMMPIXPASA-N 0 1 422.525 5.814 50 0 HKAAMN COc1cccc(OC)c1Oc1ccc(CN[C@H](c2ccc(C)o2)C2CCCC2)cn1 ZINC000095462783 568621670 /nfs/dbraw/zinc/62/16/70/568621670.db2.gz DLIHIGOQRLFVTN-DEOSSOPVSA-N 0 1 422.525 5.814 50 0 HKAAMN Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2CNCc1ccco1 ZINC000095472394 568627897 /nfs/dbraw/zinc/62/78/97/568627897.db2.gz GDPWFJOFENBHTL-UHFFFAOYSA-N 0 1 400.434 5.101 50 0 HKAAMN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CNCc3ccco3)cc(=O)oc2c1C ZINC000095472747 568628134 /nfs/dbraw/zinc/62/81/34/568628134.db2.gz PPYGZGIWLTVMRL-UHFFFAOYSA-N 0 1 414.461 5.409 50 0 HKAAMN Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4CNCc3ccco3)c2cc1C ZINC000095474354 568629234 /nfs/dbraw/zinc/62/92/34/568629234.db2.gz RDFDEQHBJYNWFD-UHFFFAOYSA-N 0 1 414.461 5.409 50 0 HKAAMN Cc1ncc(CN2CCCCC2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095475992 568630341 /nfs/dbraw/zinc/63/03/41/568630341.db2.gz AFXCWTHVWNFOOG-UHFFFAOYSA-N 0 1 413.315 5.116 50 0 HKAAMN COc1cc(-c2n[nH]c(=S)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000095929451 568660419 /nfs/dbraw/zinc/66/04/19/568660419.db2.gz ZQVLXWFAWIPRNW-UHFFFAOYSA-N 0 1 403.507 5.493 50 0 HKAAMN COc1cc(-c2n[nH]c(=S)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000095929455 568660442 /nfs/dbraw/zinc/66/04/42/568660442.db2.gz DFQJGWSDWZGQEG-UHFFFAOYSA-N 0 1 423.925 5.838 50 0 HKAAMN Fc1ccc(-c2ccc(CNCc3cn4cc(Br)ccc4n3)s2)cc1 ZINC000095953190 568668083 /nfs/dbraw/zinc/66/80/83/568668083.db2.gz QNVLOJHZSIHAEL-UHFFFAOYSA-N 0 1 416.319 5.254 50 0 HKAAMN O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000095992966 568678117 /nfs/dbraw/zinc/67/81/17/568678117.db2.gz DCLIFWJAXIUTGS-LZLYRXPVSA-N 0 1 409.917 5.130 50 0 HKAAMN O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000095992968 568678082 /nfs/dbraw/zinc/67/80/82/568678082.db2.gz DCLIFWJAXIUTGS-XYJFISCASA-N 0 1 409.917 5.130 50 0 HKAAMN C[S@@](=O)C[C@H](NCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000096003647 568682179 /nfs/dbraw/zinc/68/21/79/568682179.db2.gz QPJSOFYMMQJRNK-FIPFOOKPSA-N 0 1 413.970 5.128 50 0 HKAAMN C[S@](=O)C[C@H](NCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000096003648 568682079 /nfs/dbraw/zinc/68/20/79/568682079.db2.gz QPJSOFYMMQJRNK-NEKDWFFYSA-N 0 1 413.970 5.128 50 0 HKAAMN C[S@@](=O)C[C@@H](NCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000096003649 568682118 /nfs/dbraw/zinc/68/21/18/568682118.db2.gz QPJSOFYMMQJRNK-LXFBAYGMSA-N 0 1 413.970 5.128 50 0 HKAAMN C[S@](=O)C[C@@H](NCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000096003650 568682188 /nfs/dbraw/zinc/68/21/88/568682188.db2.gz QPJSOFYMMQJRNK-QDPGVEIFSA-N 0 1 413.970 5.128 50 0 HKAAMN CN(C)C(=O)Sc1cccc(CN[C@@H]2CCOc3c(-c4ccccc4)cccc32)c1 ZINC000096006936 568683257 /nfs/dbraw/zinc/68/32/57/568683257.db2.gz ZAGCEXSTCDYHEK-HSZRJFAPSA-N 0 1 418.562 5.741 50 0 HKAAMN CN(C)C(=O)Sc1cccc(CN[C@H]2CCOc3c(-c4ccccc4)cccc32)c1 ZINC000096006937 568683045 /nfs/dbraw/zinc/68/30/45/568683045.db2.gz ZAGCEXSTCDYHEK-QHCPKHFHSA-N 0 1 418.562 5.741 50 0 HKAAMN CCCSc1ccccc1N1CCN(CCC[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000096026889 568686615 /nfs/dbraw/zinc/68/66/15/568686615.db2.gz IYMOODJKUHAUQN-QFIPXVFZSA-N 0 1 419.034 5.478 50 0 HKAAMN CCCSc1ccccc1N1CCN(CCC[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000096026890 568686783 /nfs/dbraw/zinc/68/67/83/568686783.db2.gz IYMOODJKUHAUQN-JOCHJYFZSA-N 0 1 419.034 5.478 50 0 HKAAMN FC(F)(F)c1cccc([C@H](c2ccccc2)N2CCC(Oc3ccccc3)CC2)c1 ZINC000096027767 568686748 /nfs/dbraw/zinc/68/67/48/568686748.db2.gz ZYIUEDKQQGSDGP-DEOSSOPVSA-N 0 1 411.467 6.338 50 0 HKAAMN FC(F)(F)c1cccc([C@@H](c2ccccc2)N2CCC(Oc3ccccc3)CC2)c1 ZINC000096027768 568686689 /nfs/dbraw/zinc/68/66/89/568686689.db2.gz ZYIUEDKQQGSDGP-XMMPIXPASA-N 0 1 411.467 6.338 50 0 HKAAMN CC(C)(C)Cn1c(N)nc2c1nccc2-c1nc(C(C)(C)C)[nH]c1-c1ccc(F)cc1 ZINC000096029327 568686990 /nfs/dbraw/zinc/68/69/90/568686990.db2.gz NYEQBUGWNAVBSQ-UHFFFAOYSA-N 0 1 420.536 5.553 50 0 HKAAMN Cc1ccc(NC(=O)N2CCN([C@@H](c3ccc(C)cc3)c3ccccc3C)CC2)cc1 ZINC000096182533 568702720 /nfs/dbraw/zinc/70/27/20/568702720.db2.gz JMKSSIBGGHHOKK-SANMLTNESA-N 0 1 413.565 5.551 50 0 HKAAMN Cc1ccc(NC(=O)N2CCN([C@H](c3ccc(C)cc3)c3ccccc3C)CC2)cc1 ZINC000096182535 568702818 /nfs/dbraw/zinc/70/28/18/568702818.db2.gz JMKSSIBGGHHOKK-AREMUKBSSA-N 0 1 413.565 5.551 50 0 HKAAMN Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000096183720 568703140 /nfs/dbraw/zinc/70/31/40/568703140.db2.gz HJYPTHMUOQNMLZ-MUUNZHRXSA-N 0 1 412.577 5.170 50 0 HKAAMN Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000096183721 568702987 /nfs/dbraw/zinc/70/29/87/568702987.db2.gz HJYPTHMUOQNMLZ-NDEPHWFRSA-N 0 1 412.577 5.170 50 0 HKAAMN Cc1cccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)c1 ZINC000096183764 568702900 /nfs/dbraw/zinc/70/29/00/568702900.db2.gz ZRMDWVWBTYHJFS-SANMLTNESA-N 0 1 413.565 5.551 50 0 HKAAMN Cc1cccc(NC(=O)N2CCN([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)c1 ZINC000096183766 568702959 /nfs/dbraw/zinc/70/29/59/568702959.db2.gz ZRMDWVWBTYHJFS-AREMUKBSSA-N 0 1 413.565 5.551 50 0 HKAAMN Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)Nc3ccccc3C)CC2)c1 ZINC000096183770 568703119 /nfs/dbraw/zinc/70/31/19/568703119.db2.gz JBFQTKFVWRFQOC-AREMUKBSSA-N 0 1 413.565 5.551 50 0 HKAAMN Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)Nc3ccccc3C)CC2)c1 ZINC000096183772 568702863 /nfs/dbraw/zinc/70/28/63/568702863.db2.gz JBFQTKFVWRFQOC-SANMLTNESA-N 0 1 413.565 5.551 50 0 HKAAMN Cc1ccc(CN(CCC(C)C)Cc2ccc(C(=O)N(C)Cc3ccccc3)o2)s1 ZINC000096280608 568717962 /nfs/dbraw/zinc/71/79/62/568717962.db2.gz PDJIJZBTECACHH-UHFFFAOYSA-N 0 1 424.610 5.970 50 0 HKAAMN Cc1ccc(CN(CCC(C)C)Cc2ccc(C(=O)Nc3ccc(C)cc3)o2)s1 ZINC000096280610 568718060 /nfs/dbraw/zinc/71/80/60/568718060.db2.gz CDWQEKCGABJFBT-UHFFFAOYSA-N 0 1 410.583 6.259 50 0 HKAAMN COc1ccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccsc3)CC2)cc1 ZINC000096281062 568718483 /nfs/dbraw/zinc/71/84/83/568718483.db2.gz HRVKVBRISWRVEG-UHFFFAOYSA-N 0 1 420.578 5.377 50 0 HKAAMN CCc1n[nH]c(-c2ccc3c(c2)OCO3)c1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000096281959 568718932 /nfs/dbraw/zinc/71/89/32/568718932.db2.gz FMTZXQKTUFGFPV-UHFFFAOYSA-N 0 1 418.375 5.031 50 0 HKAAMN COc1cccc(CN(Cc2cccn2Cc2ccccc2C)Cc2ccccc2)c1 ZINC000096299846 568723099 /nfs/dbraw/zinc/72/30/99/568723099.db2.gz QUQYVGLCDDJOLT-UHFFFAOYSA-N 0 1 410.561 6.056 50 0 HKAAMN CCCCc1ccc2[nH]c(C)c(CN(Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000096300407 560559473 /nfs/dbraw/zinc/55/94/73/560559473.db2.gz DKUXGTQDBWMRAX-UHFFFAOYSA-N 0 1 424.588 6.382 50 0 HKAAMN COc1ccc(CC(=O)Nc2cc(-c3nc4ccc(C)cc4[nH]3)ccc2C)cc1OC ZINC000096319752 568728257 /nfs/dbraw/zinc/72/82/57/568728257.db2.gz PYOZLFRBEZWMBX-UHFFFAOYSA-N 0 1 415.493 5.045 50 0 HKAAMN CCCc1nc2ccc(CCC(=O)Nc3ccc(Br)c(C)c3)cc2[nH]1 ZINC000096332864 568736482 /nfs/dbraw/zinc/73/64/82/568736482.db2.gz QHYZZVDHLWENML-UHFFFAOYSA-N 0 1 400.320 5.158 50 0 HKAAMN CCCc1nc2ccc(CCC(=O)Nc3ccc(Br)cc3C)cc2[nH]1 ZINC000096332867 568736394 /nfs/dbraw/zinc/73/63/94/568736394.db2.gz ROJJAZZYIQEMQR-UHFFFAOYSA-N 0 1 400.320 5.158 50 0 HKAAMN Cc1cc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)ccc1Br ZINC000096332886 568736355 /nfs/dbraw/zinc/73/63/55/568736355.db2.gz JAPSCELRCTZOON-UHFFFAOYSA-N 0 1 400.320 5.329 50 0 HKAAMN Cc1cc(Br)ccc1NC(=O)CCc1ccc2nc(C(C)C)[nH]c2c1 ZINC000096332887 568736342 /nfs/dbraw/zinc/73/63/42/568736342.db2.gz MHRSGPGISDVHJF-UHFFFAOYSA-N 0 1 400.320 5.329 50 0 HKAAMN CC(C)c1nc2ccc(CCC(=O)Nc3ccc(Br)c(F)c3)cc2[nH]1 ZINC000096332890 568736324 /nfs/dbraw/zinc/73/63/24/568736324.db2.gz MYZLFXMBEBXJEE-UHFFFAOYSA-N 0 1 404.283 5.159 50 0 HKAAMN Cc1ccc(-c2n[nH]c(SC(=Cc3ccccc3)C(=O)NC3CCCCC3)n2)cc1 ZINC000096336882 568736738 /nfs/dbraw/zinc/73/67/38/568736738.db2.gz KVOBXXDAHXHACQ-LTGZKZEYSA-N 0 1 418.566 5.362 50 0 HKAAMN O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)c1cc(-c2cccs2)on1 ZINC000096345952 568737690 /nfs/dbraw/zinc/73/76/90/568737690.db2.gz PEOMBIPVYZEGMX-UHFFFAOYSA-N 0 1 422.413 5.193 50 0 HKAAMN CC(C)Sc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc2s1 ZINC000096363678 560848667 /nfs/dbraw/zinc/84/86/67/560848667.db2.gz LMLDQNATWXXTBO-UHFFFAOYSA-N 0 1 416.952 5.390 50 0 HKAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2ccccc2Br)[nH]n1 ZINC000096398616 568747341 /nfs/dbraw/zinc/74/73/41/568747341.db2.gz KYPQMNCXZRVEFJ-UHFFFAOYSA-N 0 1 423.314 5.375 50 0 HKAAMN CCn1c(-c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)[nH]n2)cc2ccc(OC)cc21 ZINC000096398654 568747528 /nfs/dbraw/zinc/74/75/28/568747528.db2.gz CHMXMSTVDJAOJK-UHFFFAOYSA-N 0 1 416.525 5.610 50 0 HKAAMN CCCSc1nc2ccc(NS(=O)(=O)c3c(C)cccc3Cl)cc2s1 ZINC000096399593 568747985 /nfs/dbraw/zinc/74/79/85/568747985.db2.gz SHMYXNLMQQJYLA-UHFFFAOYSA-N 0 1 412.989 5.561 50 0 HKAAMN Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc2nc(SC(C)C)sc2c1 ZINC000096399604 568747913 /nfs/dbraw/zinc/74/79/13/568747913.db2.gz RVBLUIGKAJNWMM-UHFFFAOYSA-N 0 1 412.989 5.559 50 0 HKAAMN CC(C)CSc1nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2s1 ZINC000096399624 568748097 /nfs/dbraw/zinc/74/80/97/568748097.db2.gz VPWHNLGSODNFBH-UHFFFAOYSA-N 0 1 412.989 5.499 50 0 HKAAMN CC(C)CSc1nc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cc2s1 ZINC000096399629 568748226 /nfs/dbraw/zinc/74/82/26/568748226.db2.gz TUGIASUTXKDMCJ-UHFFFAOYSA-N 0 1 414.524 5.123 50 0 HKAAMN CCn1c(-c2cc(NC(=O)c3ccc(C(C)C)cc3)[nH]n2)cc2cc(OC)ccc21 ZINC000096400260 568749381 /nfs/dbraw/zinc/74/93/81/568749381.db2.gz PBLPCJPSQVUEPW-UHFFFAOYSA-N 0 1 402.498 5.436 50 0 HKAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1 ZINC000096400270 568749716 /nfs/dbraw/zinc/74/97/16/568749716.db2.gz RBCWDGHUNMAIQI-UHFFFAOYSA-N 0 1 423.314 5.375 50 0 HKAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)COc2ccc(Cl)cc2)[nH]n1 ZINC000096400273 568749635 /nfs/dbraw/zinc/74/96/35/568749635.db2.gz DSGIEVQXJYSNGD-UHFFFAOYSA-N 0 1 408.889 5.031 50 0 HKAAMN CCn1c(-c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)[nH]n2)cc2c1cccc2OC ZINC000096400289 568749649 /nfs/dbraw/zinc/74/96/49/568749649.db2.gz KRUYEVKTCXAJSP-UHFFFAOYSA-N 0 1 416.525 5.610 50 0 HKAAMN CC[C@H](C(=O)Nc1cc(-c2cc3c(cccc3OC)n2CC)n[nH]1)c1ccccc1 ZINC000096400298 568749565 /nfs/dbraw/zinc/74/95/65/568749565.db2.gz KIRLLYCUSXZCAF-KRWDZBQOSA-N 0 1 402.498 5.192 50 0 HKAAMN CC[C@@H](C(=O)Nc1cc(-c2cc3c(cccc3OC)n2CC)n[nH]1)c1ccccc1 ZINC000096400299 568749591 /nfs/dbraw/zinc/74/95/91/568749591.db2.gz KIRLLYCUSXZCAF-QGZVFWFLSA-N 0 1 402.498 5.192 50 0 HKAAMN COC(=O)Nc1nc2cc(Cl)c(Oc3cc(Cl)c4ccccc4c3)cc2[nH]1 ZINC000096562095 568760059 /nfs/dbraw/zinc/76/00/59/568760059.db2.gz KBMCYPILCLWCMI-UHFFFAOYSA-N 0 1 402.237 5.415 50 0 HKAAMN CSc1ccc(/C=C2/CN(C)C[C@@H]3C2=NN(C)[C@H]3c2ccc(SC)cc2)cc1 ZINC000096562117 568760263 /nfs/dbraw/zinc/76/02/63/568760263.db2.gz AXTUZIIIXMUDOU-CICJMKGZSA-N 0 1 409.624 5.118 50 0 HKAAMN O=C(NC(=Cc1ccccc1Cl)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000096562330 568760304 /nfs/dbraw/zinc/76/03/04/568760304.db2.gz GDOUSCJRZSEVMK-UDWIEESQSA-N 0 1 408.288 5.798 50 0 HKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2S[C@H](c2cccnc2)C1 ZINC000096581902 568762638 /nfs/dbraw/zinc/76/26/38/568762638.db2.gz FXQLHNJZIZUZBB-NRFANRHFSA-N 0 1 414.486 5.560 50 0 HKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2S[C@@H](c2cccnc2)C1 ZINC000096581904 568762644 /nfs/dbraw/zinc/76/26/44/568762644.db2.gz FXQLHNJZIZUZBB-OAQYLSRUSA-N 0 1 414.486 5.560 50 0 HKAAMN CCCNc1nc(C)c(/C=C/C(C)(C)c2ccc(C(F)(F)F)cc2)c(NCCC)n1 ZINC000096592494 568763306 /nfs/dbraw/zinc/76/33/06/568763306.db2.gz FANSPLGUMRZFAY-OUKQBFOZSA-N 0 1 420.523 6.439 50 0 HKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2N[C@H](c2cccs2)C1 ZINC000096594059 568763492 /nfs/dbraw/zinc/76/34/92/568763492.db2.gz BRZJXVKCTITTEO-KRWDZBQOSA-N 0 1 402.475 5.546 50 0 HKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2N[C@@H](c2cccs2)C1 ZINC000096594060 568763441 /nfs/dbraw/zinc/76/34/41/568763441.db2.gz BRZJXVKCTITTEO-QGZVFWFLSA-N 0 1 402.475 5.546 50 0 HKAAMN CCCOc1ccc(CN2CCC(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000096602306 558981344 /nfs/dbraw/zinc/98/13/44/558981344.db2.gz XGWCMYSTTPKRKW-UHFFFAOYSA-N 0 1 405.460 5.589 50 0 HKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2S[C@H](c2ccco2)C1 ZINC000096602359 558981562 /nfs/dbraw/zinc/98/15/62/558981562.db2.gz ROUXYAIXLCMAPC-FQEVSTJZSA-N 0 1 403.459 5.758 50 0 HKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2S[C@@H](c2ccco2)C1 ZINC000096602360 558981613 /nfs/dbraw/zinc/98/16/13/558981613.db2.gz ROUXYAIXLCMAPC-HXUWFJFHSA-N 0 1 403.459 5.758 50 0 HKAAMN Clc1ccc(-c2nc(CSc3nc(C=Cc4cccs4)n[nH]3)no2)cc1 ZINC000096812667 558986871 /nfs/dbraw/zinc/98/68/71/558986871.db2.gz MKQICRVSCBHPDZ-FPLPWBNLSA-N 0 1 401.904 5.032 50 0 HKAAMN O=C(CSc1nc(C=Cc2cccs2)n[nH]1)Nc1ccc(SC(F)F)cc1 ZINC000096940012 558894654 /nfs/dbraw/zinc/89/46/54/558894654.db2.gz LQPAZEYNTOQEHP-FPLPWBNLSA-N 0 1 424.523 5.082 50 0 HKAAMN FC(F)(F)c1cccc([C@H](NCc2cc(Cl)ccc2Cl)c2nnc[nH]2)c1 ZINC000097162203 558998138 /nfs/dbraw/zinc/99/81/38/558998138.db2.gz VTDRUWMKWQUAAJ-HNNXBMFYSA-N 0 1 401.219 5.010 50 0 HKAAMN FC(F)(F)c1cccc([C@@H](NCc2cc(Cl)ccc2Cl)c2nnc[nH]2)c1 ZINC000097162204 558998152 /nfs/dbraw/zinc/99/81/52/558998152.db2.gz VTDRUWMKWQUAAJ-OAHLLOKOSA-N 0 1 401.219 5.010 50 0 HKAAMN O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)c1cc(-c2ccccc2)on1 ZINC000098086555 559065191 /nfs/dbraw/zinc/06/51/91/559065191.db2.gz BIZPXQAJQVEPNH-UHFFFAOYSA-N 0 1 416.384 5.131 50 0 HKAAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@@H]34)C2)cc1 ZINC000100424171 559135144 /nfs/dbraw/zinc/13/51/44/559135144.db2.gz RUYMIXHFMUVAQO-QYBDOPJKSA-N 0 1 406.485 6.172 50 0 HKAAMN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@@H]34)C2)cc1 ZINC000100424174 559135136 /nfs/dbraw/zinc/13/51/36/559135136.db2.gz RUYMIXHFMUVAQO-DWXRJYCRSA-N 0 1 406.485 6.172 50 0 HKAAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@H]34)C2)cc1 ZINC000100424176 559135109 /nfs/dbraw/zinc/13/51/09/559135109.db2.gz RUYMIXHFMUVAQO-HFJWLAOPSA-N 0 1 406.485 6.172 50 0 HKAAMN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@H]34)C2)cc1 ZINC000100424182 559135123 /nfs/dbraw/zinc/13/51/23/559135123.db2.gz RUYMIXHFMUVAQO-WXTAPIANSA-N 0 1 406.485 6.172 50 0 HKAAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000100429237 559200446 /nfs/dbraw/zinc/20/04/46/559200446.db2.gz YHEYBFZIYBBNIO-QYBDOPJKSA-N 0 1 412.489 6.240 50 0 HKAAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000100429241 559200412 /nfs/dbraw/zinc/20/04/12/559200412.db2.gz YHEYBFZIYBBNIO-DWXRJYCRSA-N 0 1 412.489 6.240 50 0 HKAAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccco1 ZINC000100429246 559200424 /nfs/dbraw/zinc/20/04/24/559200424.db2.gz YHEYBFZIYBBNIO-HFJWLAOPSA-N 0 1 412.489 6.240 50 0 HKAAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccco1 ZINC000100429248 559200467 /nfs/dbraw/zinc/20/04/67/559200467.db2.gz YHEYBFZIYBBNIO-WXTAPIANSA-N 0 1 412.489 6.240 50 0 HKAAMN COc1cc([C@H]2CC(=Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000100643302 559249528 /nfs/dbraw/zinc/24/95/28/559249528.db2.gz UOUAAKAOSKRZEP-JOCHJYFZSA-N 0 1 400.478 5.102 50 0 HKAAMN COc1cc([C@@H]2CC(=Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000100643304 559249572 /nfs/dbraw/zinc/24/95/72/559249572.db2.gz UOUAAKAOSKRZEP-QFIPXVFZSA-N 0 1 400.478 5.102 50 0 HKAAMN COc1ccc([C@H]2CC(=Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000100643306 559249567 /nfs/dbraw/zinc/24/95/67/559249567.db2.gz ZGBFGFWQMBCINU-XMMPIXPASA-N 0 1 414.505 5.405 50 0 HKAAMN COc1ccc([C@@H]2CC(=Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000100643308 559249499 /nfs/dbraw/zinc/24/94/99/559249499.db2.gz ZGBFGFWQMBCINU-DEOSSOPVSA-N 0 1 414.505 5.405 50 0 HKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3ccncc3)ccc2nc2c1CCCC2 ZINC000101193496 560789149 /nfs/dbraw/zinc/78/91/49/560789149.db2.gz DRWAXPVIYIMQGA-UHFFFAOYSA-N 0 1 424.504 5.513 50 0 HKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccnc1 ZINC000101268561 560790849 /nfs/dbraw/zinc/79/08/49/560790849.db2.gz WARCHNXBEVFXCH-KDYSTLNUSA-N 0 1 423.516 5.960 50 0 HKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccnc1 ZINC000101268562 560790837 /nfs/dbraw/zinc/79/08/37/560790837.db2.gz WARCHNXBEVFXCH-JIPXPUAJSA-N 0 1 423.516 5.960 50 0 HKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccnc1 ZINC000101268563 560790898 /nfs/dbraw/zinc/79/08/98/560790898.db2.gz WARCHNXBEVFXCH-IDISGSTGSA-N 0 1 423.516 5.960 50 0 HKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccnc1 ZINC000101268564 560790876 /nfs/dbraw/zinc/79/08/76/560790876.db2.gz WARCHNXBEVFXCH-ZBLYBZFDSA-N 0 1 423.516 5.960 50 0 HKAAMN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000101478014 560795835 /nfs/dbraw/zinc/79/58/35/560795835.db2.gz LVTLUGDKDITAIH-DEOSSOPVSA-N 0 1 416.521 5.898 50 0 HKAAMN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000101478015 560795863 /nfs/dbraw/zinc/79/58/63/560795863.db2.gz LVTLUGDKDITAIH-XMMPIXPASA-N 0 1 416.521 5.898 50 0 HKAAMN O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(=O)C1[C@H]1c3ccccc3C(=O)N21 ZINC000101695538 560798232 /nfs/dbraw/zinc/79/82/32/560798232.db2.gz LEESQCZPCZPWQC-RUZDIDTESA-N 0 1 420.468 5.701 50 0 HKAAMN O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(=O)C1[C@@H]1c3ccccc3C(=O)N21 ZINC000101695542 560798238 /nfs/dbraw/zinc/79/82/38/560798238.db2.gz LEESQCZPCZPWQC-VWLOTQADSA-N 0 1 420.468 5.701 50 0 HKAAMN Cc1nc(N2N=C(C)C(CCC(C)C)C2=O)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000101832635 560803062 /nfs/dbraw/zinc/80/30/62/560803062.db2.gz KBILXZXUHDUNGD-UHFFFAOYSA-N 0 1 418.950 5.146 50 0 HKAAMN CC(C)(C)[N@@H+](C/C(N)=C/c1nc2ccccc2n1Cc1ccccc1)Cc1ccccc1 ZINC000101921676 559148479 /nfs/dbraw/zinc/14/84/79/559148479.db2.gz NAPMVUFPDJKXTH-MOHJPFBDSA-N 0 1 424.592 5.685 50 0 HKAAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000102642105 560819732 /nfs/dbraw/zinc/81/97/32/560819732.db2.gz JXJFGPARDFWDTQ-QHCPKHFHSA-N 0 1 408.929 6.543 50 0 HKAAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000102642110 560819726 /nfs/dbraw/zinc/81/97/26/560819726.db2.gz JXJFGPARDFWDTQ-HSZRJFAPSA-N 0 1 408.929 6.543 50 0 HKAAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc(Cl)c1 ZINC000102647947 560818961 /nfs/dbraw/zinc/81/89/61/560818961.db2.gz ACUWQDOEVFIFMD-QHCPKHFHSA-N 0 1 422.956 6.789 50 0 HKAAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(Cl)c1 ZINC000102647949 560818978 /nfs/dbraw/zinc/81/89/78/560818978.db2.gz ACUWQDOEVFIFMD-HSZRJFAPSA-N 0 1 422.956 6.789 50 0 HKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c[nH]c2ccccc21 ZINC000102794784 560827794 /nfs/dbraw/zinc/82/77/94/560827794.db2.gz SRZWDGIAMPGIAJ-VWLOTQADSA-N 0 1 413.521 6.370 50 0 HKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c[nH]c2ccccc21 ZINC000102794786 560827816 /nfs/dbraw/zinc/82/78/16/560827816.db2.gz SRZWDGIAMPGIAJ-RUZDIDTESA-N 0 1 413.521 6.370 50 0 HKAAMN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)c1 ZINC000102865233 560832577 /nfs/dbraw/zinc/83/25/77/560832577.db2.gz URNFMROWNCUSOS-DEOSSOPVSA-N 0 1 418.537 6.144 50 0 HKAAMN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)c1 ZINC000102865234 560832536 /nfs/dbraw/zinc/83/25/36/560832536.db2.gz URNFMROWNCUSOS-XMMPIXPASA-N 0 1 418.537 6.144 50 0 HKAAMN CCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000102879239 560833531 /nfs/dbraw/zinc/83/35/31/560833531.db2.gz IUBLVRNQIHKOIU-RUZDIDTESA-N 0 1 418.537 6.288 50 0 HKAAMN CCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000102879242 560833522 /nfs/dbraw/zinc/83/35/22/560833522.db2.gz IUBLVRNQIHKOIU-VWLOTQADSA-N 0 1 418.537 6.288 50 0 HKAAMN COc1ccc(-c2nnc([C@@H](C)N3CCCCC[C@H]3c3ccc(OC)cc3)o2)cc1 ZINC000103363190 560840867 /nfs/dbraw/zinc/84/08/67/560840867.db2.gz UMCNQFZUFPNORF-VGSWGCGISA-N 0 1 407.514 5.432 50 0 HKAAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000104078973 560848014 /nfs/dbraw/zinc/84/80/14/560848014.db2.gz QSVDONWGKCFINS-VWLOTQADSA-N 0 1 416.565 6.797 50 0 HKAAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000104078976 560848037 /nfs/dbraw/zinc/84/80/37/560848037.db2.gz QSVDONWGKCFINS-RUZDIDTESA-N 0 1 416.565 6.797 50 0 HKAAMN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000104149862 560848898 /nfs/dbraw/zinc/84/88/98/560848898.db2.gz NTBJPQCWKMTHEC-XMMPIXPASA-N 0 1 404.510 5.898 50 0 HKAAMN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000104149867 560848968 /nfs/dbraw/zinc/84/89/68/560848968.db2.gz NTBJPQCWKMTHEC-DEOSSOPVSA-N 0 1 404.510 5.898 50 0 HKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@H]2c2ccccc2)C1 ZINC000104163790 560849065 /nfs/dbraw/zinc/84/90/65/560849065.db2.gz IXZSWNFAFYUJSR-SANMLTNESA-N 0 1 422.528 6.793 50 0 HKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H]2c2ccccc2)C1 ZINC000104163794 560849051 /nfs/dbraw/zinc/84/90/51/560849051.db2.gz IXZSWNFAFYUJSR-AREMUKBSSA-N 0 1 422.528 6.793 50 0 HKAAMN O[C@H](CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1)c1ccccc1 ZINC000104984278 569009753 /nfs/dbraw/zinc/00/97/53/569009753.db2.gz XOZTZVWOEUGXCB-ILBGXUMGSA-N 0 1 420.940 5.069 50 0 HKAAMN C[C@H]1CCCCN1CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000105007769 559161990 /nfs/dbraw/zinc/16/19/90/559161990.db2.gz REACVQCBRXOSLI-KSFYIVLOSA-N 0 1 413.924 5.031 50 0 HKAAMN O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000108169365 560898202 /nfs/dbraw/zinc/89/82/02/560898202.db2.gz DCLIFWJAXIUTGS-JFIYKMOQSA-N 0 1 409.917 5.130 50 0 HKAAMN O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000108169367 560898132 /nfs/dbraw/zinc/89/81/32/560898132.db2.gz DCLIFWJAXIUTGS-SOLBZPMBSA-N 0 1 409.917 5.130 50 0 HKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccc(N(C)C)cc3)C2)c(=O)o1 ZINC000138449506 569108309 /nfs/dbraw/zinc/10/83/09/569108309.db2.gz JYBFWVDKZFVLNR-OAQYLSRUSA-N 0 1 406.507 5.078 50 0 HKAAMN CN(C)/C=C(/C=C1/CCCC2=C1O[C@H](N(C)C)C(c1ccccc1)=C2)c1ccccc1 ZINC000148849341 560729102 /nfs/dbraw/zinc/72/91/02/560729102.db2.gz JNEITWJXNGTTIY-AQWDUBBKSA-N 0 1 412.577 5.955 50 0 HKAAMN O[C@H](CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1)c1ccccc1 ZINC000169677100 560765288 /nfs/dbraw/zinc/76/52/88/560765288.db2.gz XOZTZVWOEUGXCB-UKILVPOCSA-N 0 1 420.940 5.069 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCCC[C@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000169677302 569125359 /nfs/dbraw/zinc/12/53/59/569125359.db2.gz NTNBWGVUMLAPRI-NTKDMRAZSA-N 0 1 423.988 5.509 50 0 HKAAMN C[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000169677628 560765330 /nfs/dbraw/zinc/76/53/30/560765330.db2.gz REACVQCBRXOSLI-OPAMFIHVSA-N 0 1 413.924 5.031 50 0 HKAAMN Cc1cccc(C2=NN(C(=O)CN3CCCC[C@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000169677708 569125411 /nfs/dbraw/zinc/12/54/11/569125411.db2.gz ZGONRFLXCAMTJX-WZONZLPQSA-N 0 1 409.961 5.201 50 0 HKAAMN C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000170599932 569242855 /nfs/dbraw/zinc/24/28/55/569242855.db2.gz VCZUDBZSCOQNNZ-HNNXBMFYSA-N 0 1 406.530 5.766 50 0 HKAAMN C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000170599934 569242884 /nfs/dbraw/zinc/24/28/84/569242884.db2.gz VCZUDBZSCOQNNZ-OAHLLOKOSA-N 0 1 406.530 5.766 50 0 HKAAMN C[C@H](Sc1n[nH]c(CCC2CCCC2)n1)c1nnc(-c2ccccc2F)s1 ZINC000170600467 569243003 /nfs/dbraw/zinc/24/30/03/569243003.db2.gz CUSNZQORKHOCGN-LBPRGKRZSA-N 0 1 403.552 5.438 50 0 HKAAMN C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)c1nnc(-c2ccccc2F)s1 ZINC000170600467 569243004 /nfs/dbraw/zinc/24/30/04/569243004.db2.gz CUSNZQORKHOCGN-LBPRGKRZSA-N 0 1 403.552 5.438 50 0 HKAAMN C[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)c1nnc(-c2ccccc2F)s1 ZINC000170600468 569243012 /nfs/dbraw/zinc/24/30/12/569243012.db2.gz CUSNZQORKHOCGN-GFCCVEGCSA-N 0 1 403.552 5.438 50 0 HKAAMN C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)c1nnc(-c2ccccc2F)s1 ZINC000170600468 569243013 /nfs/dbraw/zinc/24/30/13/569243013.db2.gz CUSNZQORKHOCGN-GFCCVEGCSA-N 0 1 403.552 5.438 50 0 HKAAMN O=C(Nc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000170614862 569247122 /nfs/dbraw/zinc/24/71/22/569247122.db2.gz VICKDILRMZELOY-UHFFFAOYSA-N 0 1 407.836 5.575 50 0 HKAAMN O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1)c1cc(-c2cccs2)on1 ZINC000170623671 569249886 /nfs/dbraw/zinc/24/98/86/569249886.db2.gz GJNCGDZWOWFIHY-UHFFFAOYSA-N 0 1 422.413 5.193 50 0 HKAAMN C[C@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)c1nc2ccccc2n1C(F)F ZINC000170640032 569281983 /nfs/dbraw/zinc/28/19/83/569281983.db2.gz NUYLWCNOWDODEZ-VIFPVBQESA-N 0 1 407.396 5.348 50 0 HKAAMN C[C@@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)c1nc2ccccc2n1C(F)F ZINC000170640034 569282059 /nfs/dbraw/zinc/28/20/59/569282059.db2.gz NUYLWCNOWDODEZ-SECBINFHSA-N 0 1 407.396 5.348 50 0 HKAAMN COc1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc1OC ZINC000198233267 569318662 /nfs/dbraw/zinc/31/86/62/569318662.db2.gz PVPIUEVXUHMDDF-OAQYLSRUSA-N 0 1 423.490 5.029 50 0 HKAAMN COc1ccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc1OC ZINC000198233278 569318650 /nfs/dbraw/zinc/31/86/50/569318650.db2.gz PVPIUEVXUHMDDF-NRFANRHFSA-N 0 1 423.490 5.029 50 0 HKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccc(N(C)C)cc3)C2)c(=O)o1 ZINC000198444778 569318654 /nfs/dbraw/zinc/31/86/54/569318654.db2.gz JYBFWVDKZFVLNR-NRFANRHFSA-N 0 1 406.507 5.078 50 0 HKAAMN COc1ccccc1-c1cc(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)n[nH]1 ZINC000206879651 560748822 /nfs/dbraw/zinc/74/88/22/560748822.db2.gz KMYUXSTUKOVRLS-KRWDZBQOSA-N 0 1 409.917 5.149 50 0 HKAAMN COc1ccccc1-c1cc(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)n[nH]1 ZINC000206879691 560748802 /nfs/dbraw/zinc/74/88/02/560748802.db2.gz KMYUXSTUKOVRLS-QGZVFWFLSA-N 0 1 409.917 5.149 50 0 HKAAMN CN(C)/C=C(\C=C1\CCCC2=C1O[C@H](N(C)C)C(c1ccccc1)=C2)c1ccccc1 ZINC000206951909 560751744 /nfs/dbraw/zinc/75/17/44/560751744.db2.gz JNEITWJXNGTTIY-LBVCUVADSA-N 0 1 412.577 5.955 50 0 HKAAMN CN(C)/C=C(\C=C1/CCCC2=C1O[C@H](N(C)C)C(c1ccccc1)=C2)c1ccccc1 ZINC000206951954 560751725 /nfs/dbraw/zinc/75/17/25/560751725.db2.gz JNEITWJXNGTTIY-DGYDGLSWSA-N 0 1 412.577 5.955 50 0 HKAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206991372 560753800 /nfs/dbraw/zinc/75/38/00/560753800.db2.gz YAVJFJFPJKVWSN-KRWDZBQOSA-N 0 1 403.960 5.112 50 0 HKAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206991414 560753769 /nfs/dbraw/zinc/75/37/69/560753769.db2.gz YAVJFJFPJKVWSN-QGZVFWFLSA-N 0 1 403.960 5.112 50 0 HKAAMN O=C(NC(=Cc1ccccc1Cl)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000210971063 568748972 /nfs/dbraw/zinc/74/89/72/568748972.db2.gz GDOUSCJRZSEVMK-NDENLUEZSA-N 0 1 408.288 5.798 50 0 HKAAMN CCCNc1nc(C)c(/C=C\C(C)(C)c2ccc(C(F)(F)F)cc2)c(NCCC)n1 ZINC000211046962 568756780 /nfs/dbraw/zinc/75/67/80/568756780.db2.gz FANSPLGUMRZFAY-SEYXRHQNSA-N 0 1 420.523 6.439 50 0 HKAAMN FC(F)(F)[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000222118322 569039797 /nfs/dbraw/zinc/03/97/97/569039797.db2.gz CFRFOCRTJYWZJH-QZTJIDSGSA-N 0 1 408.430 5.235 50 0 HKAAMN CC(C)CCOc1ccc2[nH]c(-c3cc(NCCOC4(C)CCC4)ccn3)cc2c1 ZINC000225465555 568640520 /nfs/dbraw/zinc/64/05/20/568640520.db2.gz HHJSKCHDNCELQE-UHFFFAOYSA-N 0 1 407.558 6.026 50 0 HKAAMN O=C(C[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000226761993 568823806 /nfs/dbraw/zinc/82/38/06/568823806.db2.gz VSLZYFGDJBKPIZ-DEOSSOPVSA-N 0 1 422.931 5.615 50 0 HKAAMN O=C(C[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000226761996 559273991 /nfs/dbraw/zinc/27/39/91/559273991.db2.gz VSLZYFGDJBKPIZ-XMMPIXPASA-N 0 1 422.931 5.615 50 0 HKAAMN Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCC[C@H]2C)cc1 ZINC000230115983 568847719 /nfs/dbraw/zinc/84/77/19/568847719.db2.gz MTWFDWYCWJVQHA-WZONZLPQSA-N 0 1 409.961 5.201 50 0 HKAAMN Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCCC[C@H]2C)cc1 ZINC000230118084 568847724 /nfs/dbraw/zinc/84/77/24/568847724.db2.gz AWNLMWISWSJOFI-PXDATVDWSA-N 0 1 403.570 5.164 50 0 HKAAMN Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCCC[C@H]2C)cc1 ZINC000230118123 568847691 /nfs/dbraw/zinc/84/76/91/568847691.db2.gz WDAULNIXMGCADE-PXDATVDWSA-N 0 1 403.570 5.164 50 0 HKAAMN Cc1cccc(C2=NN(C(=O)CN3CCCC[C@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000245281439 571222719 /nfs/dbraw/zinc/22/27/19/571222719.db2.gz ZGONRFLXCAMTJX-JPYJTQIMSA-N 0 1 409.961 5.201 50 0 HKAAMN Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCCC[C@H]2C)cc1 ZINC000245325567 571224821 /nfs/dbraw/zinc/22/48/21/571224821.db2.gz AWNLMWISWSJOFI-BWKNWUBXSA-N 0 1 403.570 5.164 50 0 HKAAMN Cc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000245329983 571225539 /nfs/dbraw/zinc/22/55/39/571225539.db2.gz WDAULNIXMGCADE-BWKNWUBXSA-N 0 1 403.570 5.164 50 0 HKAAMN Cc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCCC[C@H]2C)cc1 ZINC000245329983 571225541 /nfs/dbraw/zinc/22/55/41/571225541.db2.gz WDAULNIXMGCADE-BWKNWUBXSA-N 0 1 403.570 5.164 50 0 HKAAMN CN(CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[C@H]1CCCc2ccccc21 ZINC000247995563 559258926 /nfs/dbraw/zinc/25/89/26/559258926.db2.gz MPKOXKGPBIYWGW-UGKGYDQZSA-N 0 1 419.594 5.012 50 0 HKAAMN Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCC[C@H]2C)cc1 ZINC000248091721 559262062 /nfs/dbraw/zinc/26/20/62/559262062.db2.gz MTWFDWYCWJVQHA-JPYJTQIMSA-N 0 1 409.961 5.201 50 0 HKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCCC[C@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000248100166 559263230 /nfs/dbraw/zinc/26/32/30/559263230.db2.gz NTNBWGVUMLAPRI-DVECYGJZSA-N 0 1 423.988 5.509 50 0 HKAAMN Cc1ccc(C(=O)[C@@H]2CN(C)[C@H](c3cccs3)[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000248161049 559265600 /nfs/dbraw/zinc/26/56/00/559265600.db2.gz XNDXEIYARWEMSV-AKIFATBCSA-N 0 1 403.547 5.350 50 0 HKAAMN C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(c1nc(-c3ccc(Cl)cc3)cs1)[NH2+]2 ZINC000248339549 569371797 /nfs/dbraw/zinc/37/17/97/569371797.db2.gz TUYBBCIRRSHTAP-ANTHHZPCSA-N 0 1 415.868 5.327 50 0 HKAAMN C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(c1nc(-c3ccc(Cl)cc3)cs1)[NH2+]2 ZINC000248339551 569371774 /nfs/dbraw/zinc/37/17/74/569371774.db2.gz TUYBBCIRRSHTAP-PGQWDYDZSA-N 0 1 415.868 5.327 50 0 HKAAMN C[C@@H]1[C@H](c2cccc3ccccc32)c2cc3c(cc2O[C@]1(C)N1CCCC1)OCO3 ZINC000252428033 569285272 /nfs/dbraw/zinc/28/52/72/569285272.db2.gz ONLWOWZCJPRUQU-KBEBOQJUSA-N 0 1 401.506 5.541 50 0 HKAAMN C[C@@H]1[C@@H](c2cccc3ccccc32)c2cc3c(cc2O[C@]1(C)N1CCCC1)OCO3 ZINC000252428034 569285268 /nfs/dbraw/zinc/28/52/68/569285268.db2.gz ONLWOWZCJPRUQU-PLZPTFKGSA-N 0 1 401.506 5.541 50 0 HKAAMN Clc1ccc2nc(N=NCc3ccc4nccnc4c3)cc(-c3ccccc3)c2c1 ZINC000252452753 569286445 /nfs/dbraw/zinc/28/64/45/569286445.db2.gz ZXFLVPNJCUGBNJ-UHFFFAOYSA-N 0 1 409.880 5.944 50 0 HKAAMN CCN(CC)c1ccc(C=[NH+][N-]c2nc3ccc(C)cc3c(-c3ccccc3)n2)cc1 ZINC000252458540 569059470 /nfs/dbraw/zinc/05/94/70/569059470.db2.gz QAJWOGYOPKGQNW-UHFFFAOYSA-N 0 1 409.537 5.897 50 0 HKAAMN C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1ccccc1SC(C)(C)C ZINC000252478400 569288699 /nfs/dbraw/zinc/28/86/99/569288699.db2.gz ALMROEMEZDLZHM-KRWDZBQOSA-N 0 1 400.588 5.381 50 0 HKAAMN C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1ccccc1SC(C)(C)C ZINC000252478401 569288764 /nfs/dbraw/zinc/28/87/64/569288764.db2.gz ALMROEMEZDLZHM-QGZVFWFLSA-N 0 1 400.588 5.381 50 0 HKAAMN COc1c(C)cnc(CSc2nc3ccc(OC(=O)c4ccccc4)cc3[nH]2)c1C ZINC000252499625 569372101 /nfs/dbraw/zinc/37/21/01/569372101.db2.gz SCZHZHSJEVJSHL-UHFFFAOYSA-N 0 1 419.506 5.095 50 0 HKAAMN CSc1ccc(/C=C2/CN(C)C[C@@H]3C2=NN(C)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000252591134 569295512 /nfs/dbraw/zinc/29/55/12/569295512.db2.gz AXTUZIIIXMUDOU-QEVXCNPWSA-N 0 1 409.624 5.118 50 0 HKAAMN CSc1ccc(/C=C2\CN(C)C[C@@H]3C2=NN(C)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000252591137 569295498 /nfs/dbraw/zinc/29/54/98/569295498.db2.gz AXTUZIIIXMUDOU-UXVSBZDTSA-N 0 1 409.624 5.118 50 0 HKAAMN O=C1C[C@@H](c2ccsc2)c2c(cc(=O)c3c(O)c(-c4ccc(Cl)cc4)coc2-3)O1 ZINC000253408873 569388895 /nfs/dbraw/zinc/38/88/95/569388895.db2.gz LDYBRQNJZFAEMO-AWEZNQCLSA-N 0 1 424.861 5.322 50 0 HKAAMN O=C1C[C@H](c2ccsc2)c2c(cc(=O)c3c(O)c(-c4ccc(Cl)cc4)coc2-3)O1 ZINC000253408878 569388922 /nfs/dbraw/zinc/38/89/22/569388922.db2.gz LDYBRQNJZFAEMO-CQSZACIVSA-N 0 1 424.861 5.322 50 0 HKAAMN Cc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)o1 ZINC000253412757 569366763 /nfs/dbraw/zinc/36/67/63/569366763.db2.gz RXTPBERNZNYWSC-AWEZNQCLSA-N 0 1 422.820 5.161 50 0 biogenic HKAAMN Cc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)o1 ZINC000253412758 569366687 /nfs/dbraw/zinc/36/66/87/569366687.db2.gz RXTPBERNZNYWSC-CQSZACIVSA-N 0 1 422.820 5.161 50 0 biogenic HKAAMN CCCCc1ncc(CN2CC[C@H](c3ccc4c(c3)OCO4)Sc3ccccc32)[nH]1 ZINC000299759382 569382378 /nfs/dbraw/zinc/38/23/78/569382378.db2.gz RJYKBNKBNQXCAS-JOCHJYFZSA-N 0 1 421.566 5.725 50 0 HKAAMN CCCCc1ncc(CN2CC[C@@H](c3ccc4c(c3)OCO4)Sc3ccccc32)[nH]1 ZINC000299759385 569382362 /nfs/dbraw/zinc/38/23/62/569382362.db2.gz RJYKBNKBNQXCAS-QFIPXVFZSA-N 0 1 421.566 5.725 50 0 HKAAMN C[N@H+](Cc1ccoc1)Cc1cc(-c2csc3ccccc32)ccc1OCC(=O)[O-] ZINC000299786589 569382350 /nfs/dbraw/zinc/38/23/50/569382350.db2.gz WCKVVDCZKMFABO-UHFFFAOYSA-N 0 1 407.491 5.257 50 0 HKAAMN C[N@@H+](Cc1ccoc1)Cc1cc(-c2csc3ccccc32)ccc1OCC(=O)[O-] ZINC000299786589 569382351 /nfs/dbraw/zinc/38/23/51/569382351.db2.gz WCKVVDCZKMFABO-UHFFFAOYSA-N 0 1 407.491 5.257 50 0 HKAAMN COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(-c3ccccc3)cc2)c(O)c1 ZINC000606422293 559065738 /nfs/dbraw/zinc/06/57/38/559065738.db2.gz HDXHITKLRVCEHN-UHFFFAOYSA-N 0 1 410.395 6.144 50 0 HKAAMN