smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C\Cc1c([O-])cc(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000000600484 291085232 /nfs/dbraw/zinc/08/52/32/291085232.db2.gz JSPPDMSCDGJJOM-YDMRWXCBSA-N -1 0 372.505 5.129 40 0 biogenic,in-vitro FKABRM CCc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000000657563 571145400 /nfs/dbraw/zinc/14/54/00/571145400.db2.gz WUHCUKSKVYHOTH-UHFFFAOYSA-N -1 0 372.877 5.397 40 0 FKABRM CCc1ccc(-c2nc(Nc3ccccc3C)sc2CC(=O)[O-])cc1 ZINC000000657821 571145304 /nfs/dbraw/zinc/14/53/04/571145304.db2.gz GJWUNSCQRFTYNI-UHFFFAOYSA-N -1 0 352.459 5.052 40 0 FKABRM Cc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)[O-])c(C)c1 ZINC000000658091 203938855 /nfs/dbraw/zinc/93/88/55/203938855.db2.gz RTNIXGNPPQRFKM-UHFFFAOYSA-N -1 0 372.877 5.451 40 0 FKABRM Cc1cc(OC([O-])=NC(=O)c2ccc(Cl)cc2)c(C(C)C)cc1Cl ZINC000000934539 219342409 /nfs/dbraw/zinc/34/24/09/219342409.db2.gz ZKIMLQGFVYFWSY-UHFFFAOYSA-N -1 0 366.244 5.354 40 0 FKABRM Cc1ccc(-c2nc(Nc3cccc4ccccc43)sc2CC(=O)[O-])cc1 ZINC000000979473 571145401 /nfs/dbraw/zinc/14/54/01/571145401.db2.gz KKXJOQPWPCODTP-UHFFFAOYSA-N -1 0 374.465 5.642 40 0 FKABRM CCc1ccc(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)[O-])cc1 ZINC000000979571 219349245 /nfs/dbraw/zinc/34/92/45/219349245.db2.gz LDDGITFAPXFZAZ-UHFFFAOYSA-N -1 0 352.459 5.052 40 0 FKABRM Cc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)[O-])cc1C ZINC000000979625 219349272 /nfs/dbraw/zinc/34/92/72/219349272.db2.gz ASSVANXRXUZRMD-UHFFFAOYSA-N -1 0 372.877 5.451 40 0 FKABRM CSc1ccc(-c2cc(C(=O)[O-])c3c(Cl)ccc(Cl)c3n2)cc1 ZINC000001004355 570641833 /nfs/dbraw/zinc/64/18/33/570641833.db2.gz JUURSYHVNBPEDH-UHFFFAOYSA-N -1 0 364.253 5.629 40 0 FKABRM Cc1c(Cl)cccc1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000001328110 219395943 /nfs/dbraw/zinc/39/59/43/219395943.db2.gz LTVXQCRGKKAQHN-UHFFFAOYSA-N -1 0 365.816 5.266 40 0 FKABRM S=C([N-]c1ccc(Br)cc1)SCc1ccc(Cl)cc1 ZINC000001565595 210360492 /nfs/dbraw/zinc/36/04/92/210360492.db2.gz CGQIWHPAKMCHJY-UHFFFAOYSA-N -1 0 372.740 5.733 40 0 FKABRM Cc1c(-c2ccc(C3CCCCC3)cc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000001578570 571214680 /nfs/dbraw/zinc/21/46/80/571214680.db2.gz GBGDJTGJJQHTCJ-UHFFFAOYSA-N -1 0 363.432 6.095 40 0 FKABRM O=C([O-])c1c(Cl)n(Cc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000001588845 204014157 /nfs/dbraw/zinc/01/41/57/204014157.db2.gz GABQUSDSOMBNIT-UHFFFAOYSA-N -1 0 354.620 5.348 40 0 FKABRM CC(C)CC(CC(C)C)OP(=O)([O-])OC(CC(C)C)CC(C)C ZINC000001600175 210362394 /nfs/dbraw/zinc/36/23/94/210362394.db2.gz IRLUWWHPOIQGGL-UHFFFAOYSA-N -1 0 350.480 6.042 40 0 FKABRM O=C([O-])/C(=C/c1ccccc1)c1ccc2ccccc2c1Br ZINC000001600703 206889696 /nfs/dbraw/zinc/88/96/96/206889696.db2.gz HZOGWAHONUTUJN-SFQUDFHCSA-N -1 0 353.215 5.228 40 0 FKABRM O=C([O-])/C(=C\c1ccccc1)c1ccc2ccccc2c1Br ZINC000001600704 204013055 /nfs/dbraw/zinc/01/30/55/204013055.db2.gz HZOGWAHONUTUJN-ATVHPVEESA-N -1 0 353.215 5.228 40 0 FKABRM FC(F)(F)c1ccccc1[N-]c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000001608440 210361496 /nfs/dbraw/zinc/36/14/96/210361496.db2.gz BFSRYXBASXBIDQ-UHFFFAOYSA-N -1 0 374.149 5.806 40 0 FKABRM Cc1cc2c(=O)cc(-c3ccc(Cl)cc3Cl)oc2c(C(=O)[O-])c1C ZINC000001618457 210361765 /nfs/dbraw/zinc/36/17/65/210361765.db2.gz FQCMFLQFGWYIGL-UHFFFAOYSA-N -1 0 363.196 5.082 40 0 FKABRM Cc1cc2c(=O)cc(-c3ccc(Cl)c(Cl)c3)oc2c(C(=O)[O-])c1C ZINC000001618458 204014785 /nfs/dbraw/zinc/01/47/85/204014785.db2.gz REOVLQZKPJLXPD-UHFFFAOYSA-N -1 0 363.196 5.082 40 0 FKABRM Cc1c2cc(C)c(C)c(C(=O)[O-])c2nn1Cc1ccc(Cl)cc1Cl ZINC000001625177 204014916 /nfs/dbraw/zinc/01/49/16/204014916.db2.gz MLULTROHKBGYNK-UHFFFAOYSA-N -1 0 363.244 5.015 40 0 FKABRM CC1(CCC(=O)[O-])c2ccc3ccccc3c2Oc2c3ccccc3ccc21 ZINC000001666737 570503931 /nfs/dbraw/zinc/50/39/31/570503931.db2.gz KLDKJIQCFYICES-UHFFFAOYSA-N -1 0 368.432 6.270 40 0 FKABRM Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(C=O)c2[O-])c1O ZINC000001679825 570504585 /nfs/dbraw/zinc/50/45/85/570504585.db2.gz IPEUTWIZNUODQD-UHFFFAOYSA-N -1 0 354.490 5.405 40 0 FKABRM C[C@H](CCOP(=O)([O-])OCC[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000001688920 204017137 /nfs/dbraw/zinc/01/71/37/204017137.db2.gz LPOAIFBVIQAMFA-HZPDHXFCSA-N -1 0 350.480 6.045 40 0 FKABRM C[C@@H](CCOP(=O)([O-])OCC[C@H](C)CC(C)(C)C)CC(C)(C)C ZINC000001688921 204017148 /nfs/dbraw/zinc/01/71/48/204017148.db2.gz LPOAIFBVIQAMFA-HOTGVXAUSA-N -1 0 350.480 6.045 40 0 FKABRM Cc1cc([O-])c(Sc2c(O)cc(C)cc2C(C)(C)C)c(C(C)(C)C)c1 ZINC000001689739 210365789 /nfs/dbraw/zinc/36/57/89/210365789.db2.gz YBRGWVCIRXVYCO-UHFFFAOYSA-N -1 0 358.547 6.461 40 0 FKABRM CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CCC(=O)[O-] ZINC000001706698 571249179 /nfs/dbraw/zinc/24/91/79/571249179.db2.gz MFVSFXSONJGHBA-UHFFFAOYSA-N -1 0 351.490 5.864 40 0 FKABRM O=C([O-])[C@@H]1CCc2ccc3ccccc3c2[C@@H]1c1cccc2ccccc21 ZINC000001722259 219417134 /nfs/dbraw/zinc/41/71/34/219417134.db2.gz OSMADBDRFADZPJ-ISKFKSNPSA-N -1 0 352.433 5.772 40 0 in-vitro FKABRM O=C([O-])[C@@H]1CCc2ccc3ccccc3c2[C@H]1c1cccc2ccccc21 ZINC000001722260 560184356 /nfs/dbraw/zinc/18/43/56/560184356.db2.gz OSMADBDRFADZPJ-VWNXMTODSA-N -1 0 352.433 5.772 40 0 in-vitro FKABRM O=C([O-])[C@H]1CCc2ccc3ccccc3c2[C@@H]1c1cccc2ccccc21 ZINC000001722261 219416821 /nfs/dbraw/zinc/41/68/21/219416821.db2.gz OSMADBDRFADZPJ-LADGPHEKSA-N -1 0 352.433 5.772 40 0 in-vitro FKABRM O=C([O-])[C@H]1CCc2ccc3ccccc3c2[C@H]1c1cccc2ccccc21 ZINC000001722262 560184337 /nfs/dbraw/zinc/18/43/37/560184337.db2.gz OSMADBDRFADZPJ-UPVQGACJSA-N -1 0 352.433 5.772 40 0 in-vitro FKABRM O=C([O-])c1cc2ccccc2cc1NC(=O)Nc1cccc2ccccc21 ZINC000001733076 204018157 /nfs/dbraw/zinc/01/81/57/204018157.db2.gz KELCCKKLJNTBJY-UHFFFAOYSA-N -1 0 356.381 5.335 40 0 FKABRM O=C([O-])c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000001758654 570506863 /nfs/dbraw/zinc/50/68/63/570506863.db2.gz YYWWGHQMONYPEV-UHFFFAOYSA-N -1 0 350.417 6.386 40 0 FKABRM CCCCCc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000002558171 570524684 /nfs/dbraw/zinc/52/46/84/570524684.db2.gz MDVFITMPFHDRBZ-JLHYYAGUSA-N -1 0 371.864 5.423 40 0 in-vitro FKABRM O=C([O-])/C=C/c1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cn12 ZINC000002599715 204045320 /nfs/dbraw/zinc/04/53/20/204045320.db2.gz BFFPKEWJCZXIJH-ACCUITESSA-N -1 0 374.827 5.420 40 0 FKABRM Cc1ccc(Cn2cc(C=C3SC(=S)NC3=O)c3ccccc32)cc1 ZINC000002977859 206231222 /nfs/dbraw/zinc/23/12/22/206231222.db2.gz OENDIHZDDKQTEF-VCHYOVAHSA-N -1 0 364.495 5.327 40 0 FKABRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000003077797 570550953 /nfs/dbraw/zinc/55/09/53/570550953.db2.gz LCKGYYBEIBQSOE-UHFFFAOYSA-N -1 0 351.016 5.258 40 0 FKABRM CC(C)(C(=O)[O-])C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000003850062 206991384 /nfs/dbraw/zinc/99/13/84/206991384.db2.gz OLFAUBNLGRKABZ-BOPJXXHASA-N -1 0 360.538 5.037 40 0 FKABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004096010 560193716 /nfs/dbraw/zinc/19/37/16/560193716.db2.gz KIQFUORWRVZTHT-HSYHYESFSA-N -1 0 374.565 5.715 40 0 in-vitro FKABRM CC(C)c1ccc([C@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3[C@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000004151472 570579071 /nfs/dbraw/zinc/57/90/71/570579071.db2.gz OFLWCQNVMZPNAV-CDMCTNBCSA-N -1 0 361.485 5.805 40 0 FKABRM CC(C)c1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3[C@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000004151473 570578950 /nfs/dbraw/zinc/57/89/50/570578950.db2.gz OFLWCQNVMZPNAV-RNPPMORTSA-N -1 0 361.485 5.805 40 0 FKABRM CC(C)c1ccc([C@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1 ZINC000004151474 210513385 /nfs/dbraw/zinc/51/33/85/210513385.db2.gz OFLWCQNVMZPNAV-HMNPXLOQSA-N -1 0 361.485 5.805 40 0 FKABRM CC(C)c1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1 ZINC000004151475 204125229 /nfs/dbraw/zinc/12/52/29/204125229.db2.gz OFLWCQNVMZPNAV-HFQQBTNDSA-N -1 0 361.485 5.805 40 0 FKABRM COc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2-c2ccccc2)cc1 ZINC000004176742 571067956 /nfs/dbraw/zinc/06/79/56/571067956.db2.gz FRJGKUNNNHAZQB-UHFFFAOYSA-N -1 0 355.393 5.276 40 0 FKABRM O=C([O-])c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000004217296 219555481 /nfs/dbraw/zinc/55/54/81/219555481.db2.gz GDHQAOKGZLRWCG-UHFFFAOYSA-N -1 0 365.432 5.163 40 0 in-man FKABRM O=C([O-])CCCc1c2cc(Cl)ccc2[nH]c1-c1ccc2ccccc2n1 ZINC000004227990 570581327 /nfs/dbraw/zinc/58/13/27/570581327.db2.gz DRZTWULZGQDVAJ-UHFFFAOYSA-N -1 0 364.832 5.444 40 0 FKABRM Cc1cc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)[O-])c2c(C)c1 ZINC000004227991 219556435 /nfs/dbraw/zinc/55/64/35/219556435.db2.gz SNJCJWQDGIGLNR-UHFFFAOYSA-N -1 0 358.441 5.407 40 0 FKABRM O=C([O-])c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1 ZINC000004243173 571210388 /nfs/dbraw/zinc/21/03/88/571210388.db2.gz AMMQBBXJNLMQOB-UHFFFAOYSA-N -1 0 364.401 5.544 40 0 FKABRM Cc1ccc(C)c(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)[O-])c1 ZINC000004363491 571294777 /nfs/dbraw/zinc/29/47/77/571294777.db2.gz VNNAFHCSXIZHOJ-UHFFFAOYSA-N -1 0 372.877 5.451 40 0 FKABRM O=[P@]1([O-])C=C(c2ccccc2)c2cc(Cl)c(Br)cc2O1 ZINC000004536364 571068818 /nfs/dbraw/zinc/06/88/18/571068818.db2.gz KOZDBMAZCBAQER-UHFFFAOYSA-N -1 0 371.554 5.070 40 0 FKABRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000004683716 291089435 /nfs/dbraw/zinc/08/94/35/291089435.db2.gz RPKLZQLYODPWTM-LVVAJZGHSA-N -1 0 360.582 6.536 40 0 biogenic,in-vitro FKABRM O=C([O-])c1cc2ccc1CCCCCCc1ccc(cc1)CCCCCC2 ZINC000004788006 570606737 /nfs/dbraw/zinc/60/67/37/570606737.db2.gz KJHGBSNGHCALLP-UHFFFAOYSA-N -1 0 364.529 6.389 40 0 FKABRM CCCc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccc(F)cc1 ZINC000004859412 204171139 /nfs/dbraw/zinc/17/11/39/204171139.db2.gz KUCZPTZSYBRHFN-UHFFFAOYSA-N -1 0 356.422 5.344 40 0 FKABRM CCCc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccc(C)cc1 ZINC000004859413 570671504 /nfs/dbraw/zinc/67/15/04/570671504.db2.gz CYPGHBYVXGDITH-UHFFFAOYSA-N -1 0 352.459 5.513 40 0 FKABRM CCCc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccc(C)c(C)c1 ZINC000004859417 570671907 /nfs/dbraw/zinc/67/19/07/570671907.db2.gz RHUGQXSXQYNXQB-UHFFFAOYSA-N -1 0 366.486 5.821 40 0 FKABRM CCc1ccc(-c2nc(-c3cc4ccc([O-])cc4oc3=O)sc2C)cc1 ZINC000004996466 570674649 /nfs/dbraw/zinc/67/46/49/570674649.db2.gz PBEAWGGTBCCKCR-UHFFFAOYSA-N -1 0 363.438 5.160 40 0 FKABRM Cc1cccc(Nc2nc(-c3ccc(C)cc3C)c(CC(=O)[O-])s2)c1 ZINC000005023161 571294906 /nfs/dbraw/zinc/29/49/06/571294906.db2.gz AVPHCMAWOKKSAQ-UHFFFAOYSA-N -1 0 352.459 5.106 40 0 FKABRM Cc1ccc(C)c(-c2nc(Nc3ccccc3C)sc2CC(=O)[O-])c1 ZINC000005023175 571294851 /nfs/dbraw/zinc/29/48/51/571294851.db2.gz NPQQNLGXYSIFOQ-UHFFFAOYSA-N -1 0 352.459 5.106 40 0 FKABRM CCc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)[O-])cc1 ZINC000005023179 570576265 /nfs/dbraw/zinc/57/62/65/570576265.db2.gz FRJUBNGTPJRUEY-UHFFFAOYSA-N -1 0 372.877 5.397 40 0 FKABRM CC(C)c1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)[O-])cc1 ZINC000005023189 219641199 /nfs/dbraw/zinc/64/11/99/219641199.db2.gz MKASJFURFGJAOD-UHFFFAOYSA-N -1 0 370.449 5.443 40 0 FKABRM Cc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)[O-])cc1C ZINC000005023205 570576207 /nfs/dbraw/zinc/57/62/07/570576207.db2.gz NWTNGBQLWUQRQN-UHFFFAOYSA-N -1 0 372.877 5.451 40 0 FKABRM Cc1ccccc1Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)[O-])s1 ZINC000005023206 571294902 /nfs/dbraw/zinc/29/49/02/571294902.db2.gz DIXYEYQXFIZXBF-UHFFFAOYSA-N -1 0 358.850 5.143 40 0 FKABRM O=C([O-])CCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005080425 207079272 /nfs/dbraw/zinc/07/92/72/207079272.db2.gz MLURWHWUQKLTJP-UHFFFAOYSA-N -1 0 358.481 6.056 40 0 FKABRM Cc1cccc(Nc2nc(-c3cc(C)ccc3C)c(CC(=O)[O-])s2)c1 ZINC000005427158 570776325 /nfs/dbraw/zinc/77/63/25/570776325.db2.gz KHGKKKOYNFOEJG-UHFFFAOYSA-N -1 0 352.459 5.106 40 0 FKABRM CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NCC(=O)[O-] ZINC000005510364 204212733 /nfs/dbraw/zinc/21/27/33/204212733.db2.gz YLEARPUNMCCKMP-BJCBFJDFSA-N -1 0 361.526 5.333 40 0 FKABRM CCCCCCSC(=S)[N-]C1c2ccccc2Oc2ccccc21 ZINC000005524073 207103445 /nfs/dbraw/zinc/10/34/45/207103445.db2.gz LNWQWSTZGXVQTB-UHFFFAOYSA-N -1 0 357.544 6.070 40 0 FKABRM C/C=C(/C)c1cc(O)c(C)c2c1Oc1cc([O-])c(Cl)c(C)c1C(=O)O2 ZINC000005566294 560202539 /nfs/dbraw/zinc/20/25/39/560202539.db2.gz KZPINWADEGOBQG-YVMONPNESA-N -1 0 360.793 5.116 40 0 biogenic,in-vitro FKABRM C[N-]C(=S)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000005566436 207107060 /nfs/dbraw/zinc/10/70/60/207107060.db2.gz CUYWDTWVIMXGQV-UHFFFAOYSA-N -1 0 355.526 5.550 40 0 FKABRM Cc1cccc(Nc2nc(-c3ccc(C)c(C)c3)c(CC(=O)[O-])s2)c1 ZINC000005571235 207106620 /nfs/dbraw/zinc/10/66/20/207106620.db2.gz CRBYWHVOFMCWCE-UHFFFAOYSA-N -1 0 352.459 5.106 40 0 FKABRM Cc1nn(-c2ccc(C)cc2)c(-c2ccco2)c1-c1ccccc1C(=O)[O-] ZINC000005601352 207107522 /nfs/dbraw/zinc/10/75/22/207107522.db2.gz LKWCJJBLJXLKLQ-UHFFFAOYSA-N -1 0 358.397 5.114 40 0 FKABRM CCCCCc1ccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)cc1 ZINC000005614870 263342151 /nfs/dbraw/zinc/34/21/51/263342151.db2.gz SKDNGGMCOXRNGB-UHFFFAOYSA-N -1 0 353.849 5.986 40 0 FKABRM COc1ccc(-c2c(=S)[nH]nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000005640217 570632127 /nfs/dbraw/zinc/63/21/27/570632127.db2.gz LLQJNGGSYASIFQ-UHFFFAOYSA-N -1 0 370.477 5.775 40 0 FKABRM O=C([O-])c1cc(-c2ccc(Oc3ccccc3)cc2)n(-c2ccccc2)n1 ZINC000005648038 263343065 /nfs/dbraw/zinc/34/30/65/263343065.db2.gz HFEDCVRDNBASFP-UHFFFAOYSA-N -1 0 356.381 5.030 40 0 FKABRM O=C([O-])/C=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000005648471 570632543 /nfs/dbraw/zinc/63/25/43/570632543.db2.gz BLPUJDWDLFXOJQ-RQOWECAXSA-N -1 0 350.214 5.082 40 0 FKABRM O=C([O-])Cc1sc(Nc2cccc3ccccc32)nc1-c1ccccc1 ZINC000005672789 570777514 /nfs/dbraw/zinc/77/75/14/570777514.db2.gz KBTMAIFMVBSFOH-UHFFFAOYSA-N -1 0 360.438 5.334 40 0 FKABRM Cc1ccc(C)c(-c2nc(Nc3ccccc3Cl)sc2CC(=O)[O-])c1 ZINC000005682225 571294943 /nfs/dbraw/zinc/29/49/43/571294943.db2.gz IVAZRPYMQYBAOS-UHFFFAOYSA-N -1 0 372.877 5.451 40 0 FKABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000005734905 207114438 /nfs/dbraw/zinc/11/44/38/207114438.db2.gz RPKLZQLYODPWTM-GLRRTJSDSA-N -1 0 360.582 6.536 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40 0 FKABRM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 ZINC000006965719 570582535 /nfs/dbraw/zinc/58/25/35/570582535.db2.gz QJYFNZRFEQIJDX-QUJCMNEKSA-N -1 0 374.267 5.827 40 0 FKABRM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 ZINC000006965727 570582469 /nfs/dbraw/zinc/58/24/69/570582469.db2.gz KOTAKFHETDTMLT-CRTZDJKQSA-N -1 0 374.267 5.827 40 0 FKABRM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000006965730 571298206 /nfs/dbraw/zinc/29/82/06/571298206.db2.gz RMRGJNHIRIDFQP-GEQKSPFYSA-N -1 0 355.437 5.673 40 0 FKABRM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 ZINC000006965735 571298208 /nfs/dbraw/zinc/29/82/08/571298208.db2.gz NFBIIBOOFQABLM-QUJCMNEKSA-N -1 0 373.374 5.539 40 0 FKABRM Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000006966773 571298155 /nfs/dbraw/zinc/29/81/55/571298155.db2.gz GORTYORAYYEGQU-FSJBWODESA-N -1 0 366.848 5.505 40 0 FKABRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 ZINC000007092753 571298421 /nfs/dbraw/zinc/29/84/21/571298421.db2.gz VNKMLIOFIZDWRT-VEVIJQCQSA-N -1 0 359.347 5.230 40 0 FKABRM O=C([O-])c1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@H]21 ZINC000007092871 571298389 /nfs/dbraw/zinc/29/83/89/571298389.db2.gz RFGHXGTYQCSTLC-XWCIJXRUSA-N -1 0 359.347 5.230 40 0 FKABRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 ZINC000007093044 571298370 /nfs/dbraw/zinc/29/83/70/571298370.db2.gz VNKMLIOFIZDWRT-ZJNRKIDTSA-N -1 0 359.347 5.230 40 0 FKABRM O=C([O-])c1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@@H]21 ZINC000007093136 570790061 /nfs/dbraw/zinc/79/00/61/570790061.db2.gz RFGHXGTYQCSTLC-NVGCLXPQSA-N -1 0 359.347 5.230 40 0 FKABRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000007096795 571298523 /nfs/dbraw/zinc/29/85/23/571298523.db2.gz MCAWNCKKIGGCPS-YDIMBITNSA-N -1 0 367.448 5.878 40 0 FKABRM O=C([O-])c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000007096878 571298475 /nfs/dbraw/zinc/29/84/75/571298475.db2.gz WVODSHVBWGHTJF-LGVFNWMJSA-N -1 0 367.448 5.878 40 0 FKABRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@H]21 ZINC000007096974 571298503 /nfs/dbraw/zinc/29/85/03/571298503.db2.gz MCAWNCKKIGGCPS-KHCICDEESA-N -1 0 367.448 5.878 40 0 FKABRM O=C([O-])c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000007097060 571298486 /nfs/dbraw/zinc/29/84/86/571298486.db2.gz WVODSHVBWGHTJF-HFMPRLQTSA-N -1 0 367.448 5.878 40 0 FKABRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@H]2C=CC[C@@H]21 ZINC000007097130 571298470 /nfs/dbraw/zinc/29/84/70/571298470.db2.gz MCAWNCKKIGGCPS-AXHZCLLHSA-N -1 0 367.448 5.878 40 0 FKABRM O=C([O-])c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000007097214 571298484 /nfs/dbraw/zinc/29/84/84/571298484.db2.gz WVODSHVBWGHTJF-IMSXRSKXSA-N -1 0 367.448 5.878 40 0 FKABRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@H]2C=CC[C@H]21 ZINC000007097292 571298532 /nfs/dbraw/zinc/29/85/32/571298532.db2.gz MCAWNCKKIGGCPS-XLNZFTOWSA-N -1 0 367.448 5.878 40 0 FKABRM O=C([O-])c1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@H]2C=CC[C@@H]21 ZINC000007097683 571298501 /nfs/dbraw/zinc/29/85/01/571298501.db2.gz CRNCUXZZPSIYFE-LJFZDNNRSA-N -1 0 367.448 5.878 40 0 FKABRM O=C([O-])c1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@H]2C=CC[C@H]21 ZINC000007097764 571298505 /nfs/dbraw/zinc/29/85/05/571298505.db2.gz CRNCUXZZPSIYFE-DRMXPCRNSA-N -1 0 367.448 5.878 40 0 FKABRM O=C([O-])/C(=C/c1ccc(Cl)cc1Cl)Sc1nc2ccccc2[nH]1 ZINC000007342881 570587938 /nfs/dbraw/zinc/58/79/38/570587938.db2.gz CPTJWRNSRIFUMD-AUWJEWJLSA-N -1 0 365.241 5.088 40 0 FKABRM O=C([O-])/C(=C/c1cccc(Cl)c1Cl)Sc1nc2ccccc2[nH]1 ZINC000007342949 571298796 /nfs/dbraw/zinc/29/87/96/571298796.db2.gz BZKFPSRVORJIRS-JYRVWZFOSA-N -1 0 365.241 5.088 40 0 FKABRM O=C([O-])/C(=C/c1ccc(Cl)cc1Cl)Sc1nc2ccccc2o1 ZINC000007603016 570591556 /nfs/dbraw/zinc/59/15/56/570591556.db2.gz UAJIVLWXQDDQSU-AUWJEWJLSA-N -1 0 366.225 5.352 40 0 FKABRM O=C([O-])/C(=C/c1cccc(Cl)c1Cl)Sc1nc2ccccc2o1 ZINC000007603131 570591700 /nfs/dbraw/zinc/59/17/00/570591700.db2.gz KXXGVFCTCGVBTI-JYRVWZFOSA-N -1 0 366.225 5.352 40 0 FKABRM CC(C)COc1ccc(/C=C(/Sc2nc3ccccc3o2)C(=O)[O-])cc1 ZINC000007603157 571299139 /nfs/dbraw/zinc/29/91/39/571299139.db2.gz OHDNPEIODFJNRM-WOJGMQOQSA-N -1 0 369.442 5.080 40 0 FKABRM CCc1ccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000008084631 571300217 /nfs/dbraw/zinc/30/02/17/571300217.db2.gz QKNABQFGIAAGHL-BUVRLJJBSA-N -1 0 359.425 5.277 40 0 FKABRM CCc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000008084976 571300208 /nfs/dbraw/zinc/30/02/08/571300208.db2.gz FVQIBTOBSWGYRM-BUVRLJJBSA-N -1 0 359.425 5.277 40 0 FKABRM CCc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 ZINC000008087370 571300301 /nfs/dbraw/zinc/30/03/01/571300301.db2.gz KGTCDDGSFDSNOF-KHYOSLBOSA-N -1 0 353.849 5.427 40 0 FKABRM CCc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 ZINC000008087413 570610953 /nfs/dbraw/zinc/61/09/53/570610953.db2.gz KGTCDDGSFDSNOF-DOXZYTNZSA-N -1 0 353.849 5.427 40 0 FKABRM Cc1c(Cl)cccc1/N=C/c1c(OCC(=O)[O-])ccc2ccccc21 ZINC000008277703 570620706 /nfs/dbraw/zinc/62/07/06/570620706.db2.gz ZKDIRBRETXTTBI-SSDVNMTOSA-N -1 0 353.805 5.016 40 0 FKABRM Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(Cl)c1 ZINC000008277763 571300732 /nfs/dbraw/zinc/30/07/32/571300732.db2.gz GDCXYRSRWGUTIR-IFRROFPPSA-N -1 0 372.635 5.169 40 0 FKABRM Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000008368010 571301018 /nfs/dbraw/zinc/30/10/18/571301018.db2.gz QCEDWACGSLKHSA-ZVHZXABRSA-N -1 0 359.425 5.331 40 0 FKABRM Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c1 ZINC000008368109 571301002 /nfs/dbraw/zinc/30/10/02/571301002.db2.gz LFBYMTOTJMRXLX-ZVHZXABRSA-N -1 0 359.425 5.331 40 0 FKABRM Cc1ccc(C)c(/N=C\c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)c1 ZINC000008368241 571300985 /nfs/dbraw/zinc/30/09/85/571300985.db2.gz BWWKJBITQNXTSV-OYKKKHCWSA-N -1 0 359.425 5.331 40 0 FKABRM Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)[O-])c2)c(C)c1 ZINC000008368631 571301095 /nfs/dbraw/zinc/30/10/95/571301095.db2.gz ILGMYZMOVLWQPT-ZVHZXABRSA-N -1 0 359.425 5.331 40 0 FKABRM Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c(C)c1 ZINC000008368732 571301109 /nfs/dbraw/zinc/30/11/09/571301109.db2.gz HGEWCGZFEOTXIZ-ZVHZXABRSA-N -1 0 359.425 5.331 40 0 FKABRM O=C([O-])c1ccc(CNc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)o1 ZINC000008702187 570795911 /nfs/dbraw/zinc/79/59/11/570795911.db2.gz NXDYZBVSJBZENB-UHFFFAOYSA-N -1 0 351.446 5.058 40 0 FKABRM CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)[O-] ZINC000008773249 210182253 /nfs/dbraw/zinc/18/22/53/210182253.db2.gz SEEZIOZEUUMJME-FOWTUZBSSA-N -1 0 360.494 5.764 40 0 in-vitro FKABRM O=C([O-])c1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1Cl ZINC000010822439 206280641 /nfs/dbraw/zinc/28/06/41/206280641.db2.gz UPNDWNGWXGGZOA-UHFFFAOYSA-N -1 0 366.225 5.159 40 0 FKABRM O=C([O-])[C@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1 ZINC000011726238 571321959 /nfs/dbraw/zinc/32/19/59/571321959.db2.gz ZEYYDOLCHFETHQ-QFIPXVFZSA-N -1 0 361.441 5.172 40 0 FKABRM O=C([O-])c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000013166543 220060864 /nfs/dbraw/zinc/06/08/64/220060864.db2.gz OKGBEXAMXSDIRQ-UHFFFAOYSA-N -1 0 366.225 5.159 40 0 FKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000013167683 220060835 /nfs/dbraw/zinc/06/08/35/220060835.db2.gz RJLWFNCMANQOPT-UHFFFAOYSA-N -1 0 366.225 5.159 40 0 FKABRM CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c([O-])cc(C)c(C=O)c1O ZINC000013368468 220065562 /nfs/dbraw/zinc/06/55/62/220065562.db2.gz QAPOXOGEDXIOHD-VZRGJMDUSA-N -1 0 356.506 6.180 40 0 biogenic,in-vitro FKABRM CC/C(=C(\c1ccc(O)cc1)c1ccc(/C=C/C(=O)[O-])cc1)c1ccccc1 ZINC000013641250 570781709 /nfs/dbraw/zinc/78/17/09/570781709.db2.gz SCVIEONTACSLJA-YGCRUXFTSA-N -1 0 370.448 5.859 40 0 FKABRM O=C([O-])c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000013717297 570786416 /nfs/dbraw/zinc/78/64/16/570786416.db2.gz HOUKYDKEDDGRPK-UHFFFAOYSA-N -1 0 362.410 5.220 40 0 FKABRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c(C)c1 ZINC000014257158 570845415 /nfs/dbraw/zinc/84/54/15/570845415.db2.gz KTLLHONFTZQHST-UHFFFAOYSA-N -1 0 367.470 5.205 40 0 FKABRM O=C([O-])CCCCCCCCCCCCCCCCCCCCCO ZINC000014449065 220124186 /nfs/dbraw/zinc/12/41/86/220124186.db2.gz IBPVZXPSTLXWCG-UHFFFAOYSA-N -1 0 356.591 6.865 40 0 in-vitro FKABRM O=C([O-])CCCCCCCCCCCCCCCCCCc1ccccc1 ZINC000015443124 220154981 /nfs/dbraw/zinc/15/49/81/220154981.db2.gz CZXWTZXPCXQSPH-UHFFFAOYSA-N -1 0 374.609 7.945 40 0 FKABRM Cc1cccc(N(c2ccc(C(=O)[O-])s2)c2ccc3ccccc3c2)c1 ZINC000016349429 570854828 /nfs/dbraw/zinc/85/48/28/570854828.db2.gz PZJAZYCQODWJLW-UHFFFAOYSA-N -1 0 359.450 6.378 40 0 FKABRM CCCCN(C(=O)Nc1cccc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000016638763 570858969 /nfs/dbraw/zinc/85/89/69/570858969.db2.gz IWNBMHFTSFIJMN-UHFFFAOYSA-N -1 0 362.429 5.377 40 0 FKABRM C[C@@H](CCO[P@@](=O)([O-])OCC[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000017315708 211184582 /nfs/dbraw/zinc/18/45/82/211184582.db2.gz LPOAIFBVIQAMFA-IYBDPMFKSA-N -1 0 350.480 6.045 40 0 FKABRM Cc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)[O-])cc1 ZINC000019894517 220302832 /nfs/dbraw/zinc/30/28/32/220302832.db2.gz SODBBQMIXAQDTM-UHFFFAOYSA-N -1 0 358.850 5.143 40 0 FKABRM Cc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000019894518 570905396 /nfs/dbraw/zinc/90/53/96/570905396.db2.gz GEPAFACABPYCEG-UHFFFAOYSA-N -1 0 358.850 5.143 40 0 FKABRM Cc1ccc(Nc2nc(-c3ccc(C)cc3C)c(CC(=O)[O-])s2)cc1 ZINC000019894573 211260343 /nfs/dbraw/zinc/26/03/43/211260343.db2.gz AADHKUNCYMZCAE-UHFFFAOYSA-N -1 0 352.459 5.106 40 0 FKABRM Cc1ccc(-c2nc(Nc3ccccc3C)sc2CC(=O)[O-])cc1C ZINC000019894577 570905313 /nfs/dbraw/zinc/90/53/13/570905313.db2.gz QODOGIDXGVVULJ-UHFFFAOYSA-N -1 0 352.459 5.106 40 0 FKABRM Cc1ccccc1Nc1nc(-c2ccc(C(C)C)cc2)c(CC(=O)[O-])s1 ZINC000019894578 570905861 /nfs/dbraw/zinc/90/58/61/570905861.db2.gz STAAZBKDKSTFGH-UHFFFAOYSA-N -1 0 366.486 5.613 40 0 FKABRM CC(C)c1ccc(-c2nc(Nc3ccccc3)sc2CC(=O)[O-])cc1 ZINC000019894593 570905825 /nfs/dbraw/zinc/90/58/25/570905825.db2.gz YIWLLHXWBYKPQH-UHFFFAOYSA-N -1 0 352.459 5.304 40 0 FKABRM CC(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000020137600 570910856 /nfs/dbraw/zinc/91/08/56/570910856.db2.gz WTFPLZZIINWGAD-UHFFFAOYSA-N -1 0 352.217 5.067 40 0 FKABRM CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000020137659 570910885 /nfs/dbraw/zinc/91/08/85/570910885.db2.gz KBDHPHINAGYQCF-UHFFFAOYSA-N -1 0 366.244 5.241 40 0 FKABRM O=C([O-])c1cc(NC(=O)c2cccc3ccccc32)c(Cl)cc1Cl ZINC000020138897 211267286 /nfs/dbraw/zinc/26/72/86/211267286.db2.gz NJZIYVKURBVNAO-UHFFFAOYSA-N -1 0 360.196 5.097 40 0 FKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000020138952 570911365 /nfs/dbraw/zinc/91/13/65/570911365.db2.gz WMBXXXKPCWRHFV-UHFFFAOYSA-N -1 0 360.196 5.097 40 0 FKABRM O=C([O-])c1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1Cl ZINC000020138957 211267793 /nfs/dbraw/zinc/26/77/93/211267793.db2.gz PRYPARXXXMWOHL-UHFFFAOYSA-N -1 0 360.196 5.097 40 0 FKABRM O=C([O-])c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1Cl ZINC000020138978 570911340 /nfs/dbraw/zinc/91/13/40/570911340.db2.gz FCBUFKRBHTWUHO-UHFFFAOYSA-N -1 0 360.196 5.097 40 0 FKABRM O=C([O-])c1cc(NC(=O)c2ccc3ccccc3c2)c(Cl)cc1Cl ZINC000020139102 570911452 /nfs/dbraw/zinc/91/14/52/570911452.db2.gz VVKIIDWBVXPEAI-UHFFFAOYSA-N -1 0 360.196 5.097 40 0 FKABRM O=C([O-])c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1Cl ZINC000020139494 206330062 /nfs/dbraw/zinc/33/00/62/206330062.db2.gz HOCWJRIHJAKVNJ-UHFFFAOYSA-N -1 0 366.225 5.159 40 0 FKABRM Cc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3C)o2)cc1Cl ZINC000020140307 570911386 /nfs/dbraw/zinc/91/13/86/570911386.db2.gz WDORUPXJPURVFH-UHFFFAOYSA-N -1 0 369.804 5.167 40 0 FKABRM Cc1ccc(-c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3C)o2)cc1Cl ZINC000020140313 570911493 /nfs/dbraw/zinc/91/14/93/570911493.db2.gz NJCBIFIYXYJQQR-UHFFFAOYSA-N -1 0 369.804 5.167 40 0 FKABRM Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3C)o2)cc1Cl ZINC000020140315 211268239 /nfs/dbraw/zinc/26/82/39/211268239.db2.gz QSCUOOMJXUWAPG-UHFFFAOYSA-N -1 0 369.804 5.167 40 0 FKABRM Cc1nc(Nc2cc(Cl)ccc2Oc2ccccc2)sc1C(=O)[O-] ZINC000020156579 263379011 /nfs/dbraw/zinc/37/90/11/263379011.db2.gz DMZPZIBQUSPOCZ-UHFFFAOYSA-N -1 0 360.822 5.339 40 0 FKABRM O=C([O-])c1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020242124 571305020 /nfs/dbraw/zinc/30/50/20/571305020.db2.gz SSOGAXXWHJUFEP-MFKUBSTISA-N -1 0 359.469 5.603 40 0 FKABRM O=C([O-])c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020242135 571304931 /nfs/dbraw/zinc/30/49/31/571304931.db2.gz NMHWMLYGJOSTCS-MFKUBSTISA-N -1 0 359.469 5.603 40 0 FKABRM CC(C)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020457357 263380588 /nfs/dbraw/zinc/38/05/88/263380588.db2.gz MQVVZLJRRKHTTA-UHFFFAOYSA-N -1 0 367.470 5.403 40 0 FKABRM Cc1nc([N-]c2nc3c(c(-c4ccccc4)n2)CCCC3)nc2ccccc12 ZINC000020798110 570925733 /nfs/dbraw/zinc/92/57/33/570925733.db2.gz XLGISVDNDXGBLV-UHFFFAOYSA-N -1 0 367.456 5.018 40 0 FKABRM Cc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)[O-])c(C)c1 ZINC000021005994 211303698 /nfs/dbraw/zinc/30/36/98/211303698.db2.gz YSTGTIWTVRTSSS-UHFFFAOYSA-N -1 0 372.877 5.451 40 0 FKABRM Cc1cccc(Nc2nc(-c3ccc(C(C)C)cc3)c(CC(=O)[O-])s2)c1 ZINC000021005998 211302927 /nfs/dbraw/zinc/30/29/27/211302927.db2.gz RSPABCOCPXQRNY-UHFFFAOYSA-N -1 0 366.486 5.613 40 0 FKABRM Cc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)[O-])cc1C ZINC000021006004 211303061 /nfs/dbraw/zinc/30/30/61/211303061.db2.gz NWKTWQYUVYMRKY-UHFFFAOYSA-N -1 0 372.877 5.451 40 0 FKABRM Cc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)[O-])c(C)c1 ZINC000021006006 570927634 /nfs/dbraw/zinc/92/76/34/570927634.db2.gz WSVAALLCKIOJSN-UHFFFAOYSA-N -1 0 372.877 5.451 40 0 FKABRM Cc1ccc(Nc2nc(-c3cc(C)ccc3C)c(CC(=O)[O-])s2)cc1 ZINC000021006010 570927952 /nfs/dbraw/zinc/92/79/52/570927952.db2.gz GXDIQQLANDIQQF-UHFFFAOYSA-N -1 0 352.459 5.106 40 0 FKABRM CCCCC(C)(C)[C@H]1CC[C@@H]2[C@@H](CCCCCCC(=O)[O-])C(=O)C[C@H]2C1 ZINC000027647009 571319361 /nfs/dbraw/zinc/31/93/61/571319361.db2.gz QDDGOACSSILOST-FUMNGEBKSA-N -1 0 364.570 6.250 40 0 in-vitro FKABRM O=C([O-])/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000033404834 571084664 /nfs/dbraw/zinc/08/46/64/571084664.db2.gz PNHYXRPPCRPHTM-ZZXKWVIFSA-N -1 0 357.620 5.324 40 0 FKABRM O=C([O-])/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000033409221 210167540 /nfs/dbraw/zinc/16/75/40/210167540.db2.gz YXOHMXPLVZFFOM-ZZXKWVIFSA-N -1 0 357.620 5.324 40 0 FKABRM O=C([O-])/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000033688172 571151534 /nfs/dbraw/zinc/15/15/34/571151534.db2.gz UHQMSKFYLNNZAY-QHHAFSJGSA-N -1 0 357.620 5.324 40 0 FKABRM O=C([O-])/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000033693687 571305722 /nfs/dbraw/zinc/30/57/22/571305722.db2.gz RDMGQBKTYVTVML-AATRIKPKSA-N -1 0 357.620 5.324 40 0 FKABRM Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)c1 ZINC000033777975 571305963 /nfs/dbraw/zinc/30/59/63/571305963.db2.gz RGARWTGHLDMRCB-JRFVFWCSSA-N -1 0 369.464 5.473 40 0 FKABRM Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)c1 ZINC000033777977 571305959 /nfs/dbraw/zinc/30/59/59/571305959.db2.gz RGARWTGHLDMRCB-QTJGBDASSA-N -1 0 369.464 5.473 40 0 FKABRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000033820758 571084971 /nfs/dbraw/zinc/08/49/71/571084971.db2.gz RVGVSOKFBAOUCH-LDTZHDHYSA-N -1 0 374.565 5.715 40 0 FKABRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000033820759 571085024 /nfs/dbraw/zinc/08/50/24/571085024.db2.gz RVGVSOKFBAOUCH-XNOSPDIJSA-N -1 0 374.565 5.715 40 0 FKABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000033820876 570587116 /nfs/dbraw/zinc/58/71/16/570587116.db2.gz HIAJCGFYHIANNA-WDWFXKRRSA-N -1 0 374.565 5.427 40 0 FKABRM CCCCCc1c(CC=C(C)C)c(OC)c(CC=C(C)C)c(O)c1C(=O)[O-] ZINC000035465958 560081456 /nfs/dbraw/zinc/08/14/56/560081456.db2.gz ONMLNUSSUHTGJO-UHFFFAOYSA-N -1 0 374.521 5.849 40 0 biogenic,in-vitro FKABRM CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-] ZINC000036440830 205016135 /nfs/dbraw/zinc/01/61/35/205016135.db2.gz YHGJECVSSKXFCJ-KUBAVDMBSA-N -1 0 356.550 7.329 40 0 endogenous,in-man FKABRM Cc1ccn2c(/C=C/C(=O)[O-])c(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036532517 208164658 /nfs/dbraw/zinc/16/46/58/208164658.db2.gz VNIJICNNUZZFMT-VAWYXSNFSA-N -1 0 354.409 5.075 40 0 FKABRM Cc1cccn2c(/C=C/C(=O)[O-])c(-c3ccc(-c4ccccc4)cc3)nc12 ZINC000036532518 208163030 /nfs/dbraw/zinc/16/30/30/208163030.db2.gz SRSKDDVPSJIFQQ-BUHFOSPRSA-N -1 0 354.409 5.075 40 0 FKABRM Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(/C=C/C(=O)[O-])n2c1 ZINC000036532519 571214106 /nfs/dbraw/zinc/21/41/06/571214106.db2.gz UUACRNGJWLCEQO-WYMLVPIESA-N -1 0 354.409 5.075 40 0 FKABRM Cc1cc2c(cc1-c1cc(/C=C/C(=O)[O-])ccc1O)C(C)(C)CCC2(C)C ZINC000039257798 205045170 /nfs/dbraw/zinc/04/51/70/205045170.db2.gz DYLLZSVPAUUSSB-VQHVLOKHSA-N -1 0 364.485 5.814 40 0 in-vitro FKABRM O=C([O-])[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1 ZINC000040406108 205069752 /nfs/dbraw/zinc/06/97/52/205069752.db2.gz MSSRKTSVXGKBDH-HXUWFJFHSA-N -1 0 368.816 5.207 40 0 FKABRM O=C([O-])[C@H](Cc1ccccc1Oc1ccccc1)Oc1ccc(Cl)cc1 ZINC000040891730 571096341 /nfs/dbraw/zinc/09/63/41/571096341.db2.gz SJOZBLXFYQACDD-FQEVSTJZSA-N -1 0 368.816 5.207 40 0 FKABRM O=C([O-])[C@@H](Cc1ccccc1Oc1ccccc1)Oc1ccc(Cl)cc1 ZINC000040891731 208273875 /nfs/dbraw/zinc/27/38/75/208273875.db2.gz SJOZBLXFYQACDD-HXUWFJFHSA-N -1 0 368.816 5.207 40 0 FKABRM O=C([O-])[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1 ZINC000040914961 571096565 /nfs/dbraw/zinc/09/65/65/571096565.db2.gz MSSRKTSVXGKBDH-FQEVSTJZSA-N -1 0 368.816 5.207 40 0 FKABRM O=C([O-])Cc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Cl ZINC000041127455 571111727 /nfs/dbraw/zinc/11/17/27/571111727.db2.gz VBARRSJKXLFOEI-UHFFFAOYSA-N -1 0 363.800 5.442 40 0 FKABRM O=C([O-])/C=C/c1ccc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)o1 ZINC000044201365 571278098 /nfs/dbraw/zinc/27/80/98/571278098.db2.gz DXXZNEYHOHKEAL-DUXPYHPUSA-N -1 0 351.107 5.370 40 0 FKABRM Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)[O-])s2)cc1 ZINC000045373774 570540208 /nfs/dbraw/zinc/54/02/08/570540208.db2.gz BPUWQRCMZAGKIU-UHFFFAOYSA-N -1 0 358.850 5.143 40 0 FKABRM O=C([O-])CCCCCCCCCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000051943739 221037334 /nfs/dbraw/zinc/03/73/34/221037334.db2.gz QLNZHMPRRJAZJC-UHFFFAOYSA-N -1 0 372.480 6.756 40 0 FKABRM O=C([O-])c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 ZINC000057327599 210206706 /nfs/dbraw/zinc/20/67/06/210206706.db2.gz WKHMRESISHTSPY-UHFFFAOYSA-N -1 0 369.520 5.080 40 0 FKABRM Clc1ccc2sc([N-]c3nc4ccccc4s3)nc2c1Cl ZINC000057352464 571207710 /nfs/dbraw/zinc/20/77/10/571207710.db2.gz JGRXJIDWTDAUAJ-UHFFFAOYSA-N -1 0 352.271 5.956 40 0 FKABRM Cc1cc2sc([N-]c3nc4cc(C(C)(C)C)ccc4o3)nc2c(N)c1 ZINC000057352563 571207770 /nfs/dbraw/zinc/20/77/70/571207770.db2.gz WELBQAHWXXDDIL-UHFFFAOYSA-N -1 0 352.463 5.369 40 0 FKABRM Cc1cc2sc([N-]c3nc4cc(-c5ccccc5)ccc4o3)nc2c(N)c1 ZINC000057352566 210209223 /nfs/dbraw/zinc/20/92/23/210209223.db2.gz LKLXTMYYJBPOCA-UHFFFAOYSA-N -1 0 372.453 5.739 40 0 FKABRM COc1cc2sc([N-]c3nc4cc(C(C)(C)C)ccc4o3)nc2c(N)c1 ZINC000057352574 571207779 /nfs/dbraw/zinc/20/77/79/571207779.db2.gz WQDBOEBKWGUZEV-UHFFFAOYSA-N -1 0 368.462 5.069 40 0 FKABRM Nc1ccc2nc([N-]c3nc4cc(-c5ccccc5)ccc4o3)sc2c1 ZINC000057352661 210208711 /nfs/dbraw/zinc/20/87/11/210208711.db2.gz KJSYWACRDVJUOZ-UHFFFAOYSA-N -1 0 358.426 5.430 40 0 FKABRM Cc1cc(N)cc2sc([N-]c3nc4cc(-c5ccccc5)ccc4o3)nc21 ZINC000057352662 210208338 /nfs/dbraw/zinc/20/83/38/210208338.db2.gz GKWRDDHOSBFWGR-UHFFFAOYSA-N -1 0 372.453 5.739 40 0 FKABRM Cc1cc(N)cc2sc([N-]c3nc4cc(C(C)(C)C)ccc4o3)nc21 ZINC000057352671 571207782 /nfs/dbraw/zinc/20/77/82/571207782.db2.gz LWXJRPOPCCUZNX-UHFFFAOYSA-N -1 0 352.463 5.369 40 0 FKABRM COc1cc(N)cc2sc([N-]c3nc4cc(C(C)(C)C)ccc4o3)nc21 ZINC000057352683 571207735 /nfs/dbraw/zinc/20/77/35/571207735.db2.gz BGIIVANLGNJMKC-UHFFFAOYSA-N -1 0 368.462 5.069 40 0 FKABRM Cc1cccc2sc([N-]c3nc4cc(-c5ccccc5)ccc4o3)nc21 ZINC000057352850 210209742 /nfs/dbraw/zinc/20/97/42/210209742.db2.gz CAAWVQLMZRWDHS-UHFFFAOYSA-N -1 0 357.438 6.157 40 0 FKABRM Cc1ccc2nc([N-]c3nc4cc(-c5ccccc5)ccc4o3)sc2c1 ZINC000057352872 571207674 /nfs/dbraw/zinc/20/76/74/571207674.db2.gz DPKCROVJPNYZOQ-UHFFFAOYSA-N -1 0 357.438 6.157 40 0 FKABRM Cc1cc2sc([N-]c3nc4cc(-c5ccccc5)ccc4o3)nc2c(C)c1 ZINC000057352873 571207671 /nfs/dbraw/zinc/20/76/71/571207671.db2.gz PVZMUPXVFKTWCL-UHFFFAOYSA-N -1 0 371.465 6.465 40 0 FKABRM Cc1cc2sc([N-]c3nc4cc(C(C)(C)C)ccc4o3)nc2c(C)c1 ZINC000057352881 210209436 /nfs/dbraw/zinc/20/94/36/210209436.db2.gz JQKKWYOFRWVEOR-UHFFFAOYSA-N -1 0 351.475 6.095 40 0 FKABRM CCCCc1ccc2nc([N-]c3nc4ccc(C)c(C)c4o3)sc2c1 ZINC000057352885 571207761 /nfs/dbraw/zinc/20/77/61/571207761.db2.gz JKHASQMZHFLYPJ-UHFFFAOYSA-N -1 0 351.475 6.141 40 0 FKABRM CCCCc1ccc2nc([N-]c3nc4cc(C)cc(C)c4o3)sc2c1 ZINC000057352886 571207776 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ZINC000057352901 571207681 /nfs/dbraw/zinc/20/76/81/571207681.db2.gz UNPUMWDKQJGVOY-UHFFFAOYSA-N -1 0 357.866 6.132 40 0 FKABRM CC(C)(C)c1ccc2oc([N-]c3nc4cc(Cl)ccc4s3)nc2c1 ZINC000057352924 206783349 /nfs/dbraw/zinc/78/33/49/206783349.db2.gz MXHZRUIFXZVUGM-UHFFFAOYSA-N -1 0 357.866 6.132 40 0 FKABRM CC(C)(C)c1ccc2oc([N-]c3nc4ccc(Cl)cc4s3)nc2c1 ZINC000057352941 210209118 /nfs/dbraw/zinc/20/91/18/210209118.db2.gz YSFJSLQXOIYBED-UHFFFAOYSA-N -1 0 357.866 6.132 40 0 FKABRM Cc1cc2nc([N-]c3nc4c(ccc(Cl)c4Cl)s3)oc2cc1C ZINC000057352948 571207677 /nfs/dbraw/zinc/20/76/77/571207677.db2.gz DARIOOOJSBDQFZ-UHFFFAOYSA-N -1 0 364.257 6.105 40 0 FKABRM Cc1cc2nc([N-]c3nc4c(ccc(Cl)c4Cl)s3)oc2c(C)c1 ZINC000057352949 571207725 /nfs/dbraw/zinc/20/77/25/571207725.db2.gz WCCHKIITEZBFIZ-UHFFFAOYSA-N -1 0 364.257 6.105 40 0 FKABRM Cc1ccc2nc([N-]c3nc4c(ccc(Cl)c4Cl)s3)oc2c1C ZINC000057352950 571207722 /nfs/dbraw/zinc/20/77/22/571207722.db2.gz DUTNLWGOUXMUQF-UHFFFAOYSA-N -1 0 364.257 6.105 40 0 FKABRM Cc1cccc2nc([N-]c3nc4c(ccc(Cl)c4Cl)s3)oc21 ZINC000057352952 571207639 /nfs/dbraw/zinc/20/76/39/571207639.db2.gz BRARQSZSYMAPLS-UHFFFAOYSA-N -1 0 350.230 5.796 40 0 FKABRM Cc1ccc2nc([N-]c3nc4c(ccc(Cl)c4Cl)s3)oc2c1 ZINC000057352953 571207694 /nfs/dbraw/zinc/20/76/94/571207694.db2.gz QVHMEGNWLSWHFO-UHFFFAOYSA-N -1 0 350.230 5.796 40 0 FKABRM Cc1ccc2oc([N-]c3nc4c(ccc(Cl)c4Cl)s3)nc2c1 ZINC000057352955 571207698 /nfs/dbraw/zinc/20/76/98/571207698.db2.gz JSWTVFHQSQSZIY-UHFFFAOYSA-N -1 0 350.230 5.796 40 0 FKABRM CCc1ccc2oc([N-]c3nc4c(ccc(Cl)c4Cl)s3)nc2c1 ZINC000057352957 203903464 /nfs/dbraw/zinc/90/34/64/203903464.db2.gz HGPDPCBKTUNFFI-UHFFFAOYSA-N -1 0 364.257 6.050 40 0 FKABRM COc1ccc2oc([N-]c3nc4c(ccc(Cl)c4Cl)s3)nc2c1 ZINC000057352960 571207744 /nfs/dbraw/zinc/20/77/44/571207744.db2.gz BKMANPURJJXZRZ-UHFFFAOYSA-N -1 0 366.229 5.497 40 0 FKABRM Clc1ccc2oc([N-]c3nc4c(ccc(Cl)c4Cl)s3)nc2c1 ZINC000057352962 571207665 /nfs/dbraw/zinc/20/76/65/571207665.db2.gz MAEIFEMGPHDTGB-UHFFFAOYSA-N -1 0 370.648 6.141 40 0 FKABRM Fc1ccc2nc([N-]c3nc4cc(-c5ccccc5)ccc4o3)sc2c1 ZINC000057352965 571207738 /nfs/dbraw/zinc/20/77/38/571207738.db2.gz PPKPTHNSYNCZET-UHFFFAOYSA-N -1 0 361.401 5.987 40 0 FKABRM COc1ccc2nc([N-]c3nc4cc(C(C)(C)C)ccc4o3)sc2c1 ZINC000057353001 571207668 /nfs/dbraw/zinc/20/76/68/571207668.db2.gz XMDHFUVJTDCOCR-UHFFFAOYSA-N -1 0 353.447 5.487 40 0 FKABRM COc1ccc2nc([N-]c3nc4cc(-c5ccccc5)ccc4o3)sc2c1 ZINC000057353006 571207705 /nfs/dbraw/zinc/20/77/05/571207705.db2.gz QPOYDHKVUVWELX-UHFFFAOYSA-N -1 0 373.437 5.857 40 0 FKABRM CCOc1ccc2nc([N-]c3nc4cc(C(C)C)ccc4o3)sc2c1 ZINC000057353021 571282146 /nfs/dbraw/zinc/28/21/46/571282146.db2.gz LWCMTHJONPCOBA-UHFFFAOYSA-N -1 0 353.447 5.703 40 0 FKABRM CCOc1ccc2nc([N-]c3nc4cc(C(C)(C)C)ccc4o3)sc2c1 ZINC000057353023 210209305 /nfs/dbraw/zinc/20/93/05/210209305.db2.gz GCBRXXLUZRUZJR-UHFFFAOYSA-N -1 0 367.474 5.877 40 0 FKABRM CCC[C@H](C(=O)[O-])c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000058638718 221122012 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O=C([O-])c1cccc(Nc2ccnc3c(Sc4ccccc4)cccc23)c1 ZINC000078401553 526393695 /nfs/dbraw/zinc/39/36/95/526393695.db2.gz AWNWXXHXALLIRV-UHFFFAOYSA-N -1 0 372.449 5.828 40 0 FKABRM O=C([O-])c1ccccc1Nc1ccnc2c(Sc3ccccc3)cccc12 ZINC000078401555 571216195 /nfs/dbraw/zinc/21/61/95/571216195.db2.gz NUXQZRZYLSVSQZ-UHFFFAOYSA-N -1 0 372.449 5.828 40 0 FKABRM O=C([O-])c1ccc(Nc2ccnc3c(Oc4ccccc4)cccc23)cc1 ZINC000078401566 571216135 /nfs/dbraw/zinc/21/61/35/571216135.db2.gz QAEHRSWCWURMLF-UHFFFAOYSA-N -1 0 356.381 5.469 40 0 FKABRM O=C([O-])c1cccc(Nc2ccnc3c(Oc4ccccc4)cccc23)c1 ZINC000078401569 571216131 /nfs/dbraw/zinc/21/61/31/571216131.db2.gz USLMBRMJRRWAKD-UHFFFAOYSA-N -1 0 356.381 5.469 40 0 FKABRM O=C([O-])c1ccccc1Nc1ccnc2c(Oc3ccccc3)cccc12 ZINC000078401571 571216236 /nfs/dbraw/zinc/21/62/36/571216236.db2.gz WRDNFXBKVMTVJB-UHFFFAOYSA-N -1 0 356.381 5.469 40 0 FKABRM Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cccc(Oc3ccccc3)c2n1 ZINC000078401766 571216154 /nfs/dbraw/zinc/21/61/54/571216154.db2.gz ZTGAKVDIDYQWNS-UHFFFAOYSA-N -1 0 370.408 5.777 40 0 FKABRM Cc1cc(Nc2cccc(C(=O)[O-])c2)c2cccc(Oc3ccccc3)c2n1 ZINC000078401767 571216137 /nfs/dbraw/zinc/21/61/37/571216137.db2.gz LNMGNDUMKDYIED-UHFFFAOYSA-N -1 0 370.408 5.777 40 0 FKABRM Cc1cc(Nc2ccccc2C(=O)[O-])c2cccc(Oc3ccccc3)c2n1 ZINC000078401770 571216240 /nfs/dbraw/zinc/21/62/40/571216240.db2.gz ALJIXDWAYBRYNI-UHFFFAOYSA-N -1 0 370.408 5.777 40 0 FKABRM O=C([O-])[C@H](Cc1nc2ccccc2s1)C1c2ccccc2-c2ccccc21 ZINC000085388824 570536753 /nfs/dbraw/zinc/53/67/53/570536753.db2.gz XWYJKMHMAZDJCW-GOSISDBHSA-N -1 0 371.461 5.352 40 0 FKABRM O=C([O-])[C@@H](Cc1nc2ccccc2s1)C1c2ccccc2-c2ccccc21 ZINC000085388828 570536738 /nfs/dbraw/zinc/53/67/38/570536738.db2.gz XWYJKMHMAZDJCW-SFHVURJKSA-N -1 0 371.461 5.352 40 0 FKABRM Cc1nc(-c2ccc(OCc3ccccc3Cl)c(C(=O)[O-])c2)cs1 ZINC000085397511 570537238 /nfs/dbraw/zinc/53/72/38/570537238.db2.gz BSOCQOYVRMBXSM-UHFFFAOYSA-N -1 0 359.834 5.049 40 0 FKABRM Cc1nc(-c2ccc(OCc3cccc(Cl)c3)c(C(=O)[O-])c2)cs1 ZINC000085397515 570537245 /nfs/dbraw/zinc/53/72/45/570537245.db2.gz OQVIRZMCBNHQAI-UHFFFAOYSA-N -1 0 359.834 5.049 40 0 FKABRM Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)c(C(=O)[O-])c2)cs1 ZINC000085397519 570537261 /nfs/dbraw/zinc/53/72/61/570537261.db2.gz WULDVPQFZCWTFK-UHFFFAOYSA-N -1 0 359.834 5.049 40 0 FKABRM CCCCCc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000090430693 208972497 /nfs/dbraw/zinc/97/24/97/208972497.db2.gz MDVFITMPFHDRBZ-RAXLEYEMSA-N -1 0 371.864 5.423 40 0 FKABRM Cc1ccc(N[C@@H](CSc2ccc(C)c(C)c2C)C(=O)[O-])c(C)c1C ZINC000095093050 206532200 /nfs/dbraw/zinc/53/22/00/206532200.db2.gz XFSQICKORDODRV-IBGZPJMESA-N -1 0 357.519 5.195 40 0 FKABRM CCOc1cc(C(=O)[O-])ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000096111250 222028833 /nfs/dbraw/zinc/02/88/33/222028833.db2.gz FQJDJGZCZSOONJ-UHFFFAOYSA-N -1 0 350.201 5.239 40 0 FKABRM O=C([O-])c1cc(Cl)c(OCc2ccccc2)cc1OCc1ccccc1 ZINC000098175452 222230173 /nfs/dbraw/zinc/23/01/73/222230173.db2.gz QTRUTHOPVZSHDN-UHFFFAOYSA-N -1 0 368.816 5.196 40 0 FKABRM CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCC(=O)[O-] ZINC000104850214 209263272 /nfs/dbraw/zinc/26/32/72/209263272.db2.gz YLEARPUNMCCKMP-CGRWFSSPSA-N -1 0 361.526 5.333 40 0 FKABRM C[C@@H]1CC2C[C@H](C)CC(c3cc(Br)c([O-])c(C=O)c3)(C2)C1 ZINC000104859732 222362909 /nfs/dbraw/zinc/36/29/09/222362909.db2.gz AGMSQKWELKKRGR-CSCWVGTJSA-N -1 0 351.284 5.071 40 0 FKABRM O=C(Nc1ccccc1[S-])c1sc2cc(Cl)ccc2c1Cl ZINC000107904315 571307020 /nfs/dbraw/zinc/30/70/20/571307020.db2.gz FAWRIXZVAHVONN-UHFFFAOYSA-N -1 0 354.283 5.749 40 0 FKABRM CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCO[C@@H](CC)C(=O)[O-] ZINC000113493441 571059411 /nfs/dbraw/zinc/05/94/11/571059411.db2.gz VOGXDRFFBBLZBT-DQINFVRLSA-N -1 0 374.565 6.788 40 0 in-vitro FKABRM CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCO[C@H](CC)C(=O)[O-] ZINC000113493445 571059495 /nfs/dbraw/zinc/05/94/95/571059495.db2.gz VOGXDRFFBBLZBT-FRSSMCBVSA-N -1 0 374.565 6.788 40 0 in-vitro FKABRM C[C@@H](Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000118076335 570873895 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S=C([S-])[PH](C1CCCCC1)(C1CCCCC1)C1CCCCC1 ZINC000150385143 570645421 /nfs/dbraw/zinc/64/54/21/570645421.db2.gz GWEPSLUVJLFJOL-UHFFFAOYSA-N -1 0 358.597 6.949 40 0 FKABRM O=c1c(Oc2ccccc2)c([O-])c2ccc(Cl)cc2n1-c1ccccc1 ZINC000200281191 571307471 /nfs/dbraw/zinc/30/74/71/571307471.db2.gz XCMNVGWUZTWBGL-UHFFFAOYSA-N -1 0 363.800 5.142 40 0 FKABRM Cc1c(C(=O)[O-])c2ccccc2n1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000216950739 568158275 /nfs/dbraw/zinc/15/82/75/568158275.db2.gz LJZGOICPHKMJDT-UHFFFAOYSA-N -1 0 355.393 5.003 40 0 FKABRM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000223434566 209760219 /nfs/dbraw/zinc/76/02/19/209760219.db2.gz NXGHVPJCVMOYBQ-UHFFFAOYSA-N -1 0 363.891 5.016 40 0 FKABRM CCCCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2SC)cc1 ZINC000223439113 568655325 /nfs/dbraw/zinc/65/53/25/568655325.db2.gz JUWNNGBKIKWIGT-UHFFFAOYSA-N -1 0 369.939 5.205 40 0 FKABRM CC(C)c1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1 ZINC000225045806 571011163 /nfs/dbraw/zinc/01/11/63/571011163.db2.gz PQTZKVGPBNXTCP-HSZRJFAPSA-N -1 0 360.453 5.552 40 0 FKABRM CC(C)c1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1 ZINC000225045842 571011130 /nfs/dbraw/zinc/01/11/30/571011130.db2.gz PQTZKVGPBNXTCP-QHCPKHFHSA-N -1 0 360.453 5.552 40 0 FKABRM O=C([O-])[C@@H](Cc1cccc2ccccc21)Oc1ccc(-c2ccccc2)cc1 ZINC000225048605 222826025 /nfs/dbraw/zinc/82/60/25/222826025.db2.gz QZISCDIMRVFENI-XMMPIXPASA-N -1 0 368.432 5.582 40 0 FKABRM O=C([O-])[C@H](Cc1cccc2ccccc21)Oc1ccc(-c2ccccc2)cc1 ZINC000225048649 571011359 /nfs/dbraw/zinc/01/13/59/571011359.db2.gz QZISCDIMRVFENI-DEOSSOPVSA-N -1 0 368.432 5.582 40 0 FKABRM O=C([O-])[C@@H](Cc1ccccc1Cl)Oc1ccc(-c2ccccc2)cc1 ZINC000225056388 571012108 /nfs/dbraw/zinc/01/21/08/571012108.db2.gz DVTRIZRGRHXJLG-HXUWFJFHSA-N -1 0 352.817 5.082 40 0 FKABRM O=C([O-])[C@H](Cc1ccccc1Cl)Oc1ccc(-c2ccccc2)cc1 ZINC000225056421 222826545 /nfs/dbraw/zinc/82/65/45/222826545.db2.gz DVTRIZRGRHXJLG-FQEVSTJZSA-N -1 0 352.817 5.082 40 0 FKABRM O=C([O-])[C@@H](Cc1cccc(Cl)c1)Oc1ccc(-c2ccccc2)cc1 ZINC000225059004 206468547 /nfs/dbraw/zinc/46/85/47/206468547.db2.gz BYSGSLMSWOUEEF-HXUWFJFHSA-N -1 0 352.817 5.082 40 0 FKABRM O=C([O-])[C@H](Cc1cccc(Cl)c1)Oc1ccc(-c2ccccc2)cc1 ZINC000225059038 571011911 /nfs/dbraw/zinc/01/19/11/571011911.db2.gz BYSGSLMSWOUEEF-FQEVSTJZSA-N -1 0 352.817 5.082 40 0 FKABRM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)Oc1ccc(-c2ccccc2)cc1 ZINC000225061146 571011890 /nfs/dbraw/zinc/01/18/90/571011890.db2.gz ZMKNSJZTYZEZCW-HXUWFJFHSA-N -1 0 352.817 5.082 40 0 FKABRM O=C([O-])[C@H](Cc1ccc(Cl)cc1)Oc1ccc(-c2ccccc2)cc1 ZINC000225061185 209796787 /nfs/dbraw/zinc/79/67/87/209796787.db2.gz ZMKNSJZTYZEZCW-FQEVSTJZSA-N -1 0 352.817 5.082 40 0 FKABRM Cc1c(Cl)cccc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000225071138 571013134 /nfs/dbraw/zinc/01/31/34/571013134.db2.gz OEVXZPDORHMODN-OAQYLSRUSA-N -1 0 366.844 5.390 40 0 FKABRM Cc1c(Cl)cccc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000225071182 571013005 /nfs/dbraw/zinc/01/30/05/571013005.db2.gz OEVXZPDORHMODN-NRFANRHFSA-N -1 0 366.844 5.390 40 0 FKABRM Cc1cc(Cl)ccc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000225074559 571013636 /nfs/dbraw/zinc/01/36/36/571013636.db2.gz QICSHIGCBSRZDE-OAQYLSRUSA-N -1 0 366.844 5.390 40 0 FKABRM Cc1cc(Cl)ccc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000225074603 571013341 /nfs/dbraw/zinc/01/33/41/571013341.db2.gz QICSHIGCBSRZDE-NRFANRHFSA-N -1 0 366.844 5.390 40 0 FKABRM Cc1ccc(Cl)cc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000225077367 209798563 /nfs/dbraw/zinc/79/85/63/209798563.db2.gz RLBMPWGVDUPNGV-OAQYLSRUSA-N -1 0 366.844 5.390 40 0 FKABRM Cc1ccc(Cl)cc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000225077404 222827616 /nfs/dbraw/zinc/82/76/16/222827616.db2.gz RLBMPWGVDUPNGV-NRFANRHFSA-N -1 0 366.844 5.390 40 0 FKABRM Cc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1Cl ZINC000225080097 571013755 /nfs/dbraw/zinc/01/37/55/571013755.db2.gz SFFMVRCQTKOFHK-OAQYLSRUSA-N -1 0 366.844 5.390 40 0 FKABRM Cc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1Cl ZINC000225080136 222827629 /nfs/dbraw/zinc/82/76/29/222827629.db2.gz SFFMVRCQTKOFHK-NRFANRHFSA-N -1 0 366.844 5.390 40 0 FKABRM CC(C)(C)c1ccccc1O[C@@H](Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000225082507 222827659 /nfs/dbraw/zinc/82/76/59/222827659.db2.gz UAYNGILEWOCQJU-INIZCTEOSA-N -1 0 367.272 5.366 40 0 FKABRM CC(C)(C)c1ccccc1O[C@H](Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000225082547 571013469 /nfs/dbraw/zinc/01/34/69/571013469.db2.gz UAYNGILEWOCQJU-MRXNPFEDSA-N -1 0 367.272 5.366 40 0 FKABRM CC(C)(C)c1ccc(O[C@@H](Cc2cccc(Cl)c2Cl)C(=O)[O-])cc1 ZINC000225082604 571013484 /nfs/dbraw/zinc/01/34/84/571013484.db2.gz HFVJQPVWDFDSMS-INIZCTEOSA-N -1 0 367.272 5.366 40 0 FKABRM CC(C)(C)c1ccc(O[C@H](Cc2cccc(Cl)c2Cl)C(=O)[O-])cc1 ZINC000225082654 222827503 /nfs/dbraw/zinc/82/75/03/222827503.db2.gz HFVJQPVWDFDSMS-MRXNPFEDSA-N -1 0 367.272 5.366 40 0 FKABRM Cc1cc(O[C@@H](Cc2cccc(Cl)c2Cl)C(=O)[O-])ccc1Cl ZINC000225082798 571013569 /nfs/dbraw/zinc/01/35/69/571013569.db2.gz KRVHQFZOSKFYHT-AWEZNQCLSA-N -1 0 359.636 5.030 40 0 FKABRM Cc1cc(O[C@H](Cc2cccc(Cl)c2Cl)C(=O)[O-])ccc1Cl ZINC000225082840 571013433 /nfs/dbraw/zinc/01/34/33/571013433.db2.gz KRVHQFZOSKFYHT-CQSZACIVSA-N -1 0 359.636 5.030 40 0 FKABRM CC(C)c1ccccc1O[C@@H](Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000225082985 571014002 /nfs/dbraw/zinc/01/40/02/571014002.db2.gz ORMHETUKIRZOPR-INIZCTEOSA-N -1 0 353.245 5.192 40 0 FKABRM CC(C)c1ccccc1O[C@H](Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000225083026 571014189 /nfs/dbraw/zinc/01/41/89/571014189.db2.gz ORMHETUKIRZOPR-MRXNPFEDSA-N -1 0 353.245 5.192 40 0 FKABRM O=C([O-])[C@@H](Cc1cccc(Cl)c1Cl)Oc1cccc2ccccc21 ZINC000225083585 209798087 /nfs/dbraw/zinc/79/80/87/209798087.db2.gz MBPDBPDRGUSNOZ-QGZVFWFLSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@H](Cc1cccc(Cl)c1Cl)Oc1cccc2ccccc21 ZINC000225083622 571014071 /nfs/dbraw/zinc/01/40/71/571014071.db2.gz MBPDBPDRGUSNOZ-KRWDZBQOSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@@H](Cc1cccc(Cl)c1Cl)Oc1ccc2ccccc2c1 ZINC000225083679 222827409 /nfs/dbraw/zinc/82/74/09/222827409.db2.gz KJWNUMXMZCJPGK-QGZVFWFLSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@H](Cc1cccc(Cl)c1Cl)Oc1ccc2ccccc2c1 ZINC000225083716 571014048 /nfs/dbraw/zinc/01/40/48/571014048.db2.gz KJWNUMXMZCJPGK-KRWDZBQOSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@@H](Cc1cccc(Cl)c1Cl)Sc1ccc(Cl)cc1 ZINC000225083960 206469210 /nfs/dbraw/zinc/46/92/10/206469210.db2.gz LVPDBIGFJBVSDE-CYBMUJFWSA-N -1 0 361.677 5.435 40 0 FKABRM O=C([O-])[C@H](Cc1cccc(Cl)c1Cl)Sc1ccc(Cl)cc1 ZINC000225083994 571014023 /nfs/dbraw/zinc/01/40/23/571014023.db2.gz LVPDBIGFJBVSDE-ZDUSSCGKSA-N -1 0 361.677 5.435 40 0 FKABRM CC(C)(C)c1ccccc1O[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000225085295 571014169 /nfs/dbraw/zinc/01/41/69/571014169.db2.gz BVZHVFJNCIAGRO-KRWDZBQOSA-N -1 0 367.272 5.366 40 0 FKABRM CC(C)(C)c1ccccc1O[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000225085329 571013977 /nfs/dbraw/zinc/01/39/77/571013977.db2.gz BVZHVFJNCIAGRO-QGZVFWFLSA-N -1 0 367.272 5.366 40 0 FKABRM CC(C)(C)c1ccc(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000225085390 571013920 /nfs/dbraw/zinc/01/39/20/571013920.db2.gz CLNKYIRGUWNYTK-KRWDZBQOSA-N -1 0 367.272 5.366 40 0 FKABRM CC(C)(C)c1ccc(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000225085425 571013963 /nfs/dbraw/zinc/01/39/63/571013963.db2.gz CLNKYIRGUWNYTK-QGZVFWFLSA-N -1 0 367.272 5.366 40 0 FKABRM Cc1cc(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)[O-])ccc1Cl ZINC000225085576 222827273 /nfs/dbraw/zinc/82/72/73/222827273.db2.gz XFDXGRUZYPSCLK-HNNXBMFYSA-N -1 0 359.636 5.030 40 0 FKABRM Cc1cc(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)[O-])ccc1Cl ZINC000225085617 571013969 /nfs/dbraw/zinc/01/39/69/571013969.db2.gz XFDXGRUZYPSCLK-OAHLLOKOSA-N -1 0 359.636 5.030 40 0 FKABRM CC(C)c1ccccc1O[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000225085781 571013988 /nfs/dbraw/zinc/01/39/88/571013988.db2.gz LZKGSSAXXZCSMY-KRWDZBQOSA-N -1 0 353.245 5.192 40 0 FKABRM CC(C)c1ccccc1O[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000225085818 571014159 /nfs/dbraw/zinc/01/41/59/571014159.db2.gz LZKGSSAXXZCSMY-QGZVFWFLSA-N -1 0 353.245 5.192 40 0 FKABRM O=C([O-])[C@@H](Cc1ccc(Cl)cc1Cl)Oc1cccc2ccccc21 ZINC000225086369 571013916 /nfs/dbraw/zinc/01/39/16/571013916.db2.gz MSTGEOXFEVSBNL-GOSISDBHSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@H](Cc1ccc(Cl)cc1Cl)Oc1cccc2ccccc21 ZINC000225086410 571014165 /nfs/dbraw/zinc/01/41/65/571014165.db2.gz MSTGEOXFEVSBNL-SFHVURJKSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@@H](Cc1ccc(Cl)cc1Cl)Oc1ccc2ccccc2c1 ZINC000225086464 571013901 /nfs/dbraw/zinc/01/39/01/571013901.db2.gz JHEPNUZIOFLMHQ-GOSISDBHSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@H](Cc1ccc(Cl)cc1Cl)Oc1ccc2ccccc2c1 ZINC000225086506 222827428 /nfs/dbraw/zinc/82/74/28/222827428.db2.gz JHEPNUZIOFLMHQ-SFHVURJKSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@@H](Cc1ccc(Cl)cc1Cl)Sc1ccc(Cl)cc1 ZINC000225086735 571014176 /nfs/dbraw/zinc/01/41/76/571014176.db2.gz WTTTWUFKUGDXKZ-CQSZACIVSA-N -1 0 361.677 5.435 40 0 FKABRM O=C([O-])[C@H](Cc1ccc(Cl)cc1Cl)Sc1ccc(Cl)cc1 ZINC000225086769 222827155 /nfs/dbraw/zinc/82/71/55/222827155.db2.gz WTTTWUFKUGDXKZ-AWEZNQCLSA-N -1 0 361.677 5.435 40 0 FKABRM CC(C)(C)c1ccccc1O[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000225088008 571014019 /nfs/dbraw/zinc/01/40/19/571014019.db2.gz VZQRXUSVQVIZOY-KRWDZBQOSA-N -1 0 367.272 5.366 40 0 FKABRM CC(C)(C)c1ccccc1O[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000225088046 571014119 /nfs/dbraw/zinc/01/41/19/571014119.db2.gz VZQRXUSVQVIZOY-QGZVFWFLSA-N -1 0 367.272 5.366 40 0 FKABRM CC(C)(C)c1ccc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000225088105 571014146 /nfs/dbraw/zinc/01/41/46/571014146.db2.gz KZAYAVNXGPSZTR-KRWDZBQOSA-N -1 0 367.272 5.366 40 0 FKABRM CC(C)(C)c1ccc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000225088147 571013892 /nfs/dbraw/zinc/01/38/92/571013892.db2.gz KZAYAVNXGPSZTR-QGZVFWFLSA-N -1 0 367.272 5.366 40 0 FKABRM Cc1cc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])ccc1Cl ZINC000225088298 571013905 /nfs/dbraw/zinc/01/39/05/571013905.db2.gz RZNNNSNOTBLHRW-HNNXBMFYSA-N -1 0 359.636 5.030 40 0 FKABRM Cc1cc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])ccc1Cl ZINC000225088339 571014096 /nfs/dbraw/zinc/01/40/96/571014096.db2.gz RZNNNSNOTBLHRW-OAHLLOKOSA-N -1 0 359.636 5.030 40 0 FKABRM CC(C)c1ccccc1O[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000225088493 222827837 /nfs/dbraw/zinc/82/78/37/222827837.db2.gz MAAZNAFFBAEPOZ-KRWDZBQOSA-N -1 0 353.245 5.192 40 0 FKABRM CC(C)c1ccccc1O[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000225088528 571014088 /nfs/dbraw/zinc/01/40/88/571014088.db2.gz MAAZNAFFBAEPOZ-QGZVFWFLSA-N -1 0 353.245 5.192 40 0 FKABRM O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)Oc1cccc2ccccc21 ZINC000225089033 571014083 /nfs/dbraw/zinc/01/40/83/571014083.db2.gz AJTWJSAFPBBSBV-GOSISDBHSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1cccc2ccccc21 ZINC000225089074 571013959 /nfs/dbraw/zinc/01/39/59/571013959.db2.gz AJTWJSAFPBBSBV-SFHVURJKSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccc2ccccc2c1 ZINC000225089132 571013887 /nfs/dbraw/zinc/01/38/87/571013887.db2.gz DCDZCBNHQCLLCN-GOSISDBHSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccc2ccccc2c1 ZINC000225089167 571013983 /nfs/dbraw/zinc/01/39/83/571013983.db2.gz DCDZCBNHQCLLCN-SFHVURJKSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)Sc1ccc(Cl)cc1 ZINC000225089407 571014061 /nfs/dbraw/zinc/01/40/61/571014061.db2.gz MKAVWKYXTQSEJO-CQSZACIVSA-N -1 0 361.677 5.435 40 0 FKABRM O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)Sc1ccc(Cl)cc1 ZINC000225089435 571013952 /nfs/dbraw/zinc/01/39/52/571013952.db2.gz MKAVWKYXTQSEJO-AWEZNQCLSA-N -1 0 361.677 5.435 40 0 FKABRM CC(C)(C)c1ccccc1O[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000225090751 571014184 /nfs/dbraw/zinc/01/41/84/571014184.db2.gz DSGQSYSGYFTKSW-KRWDZBQOSA-N -1 0 367.272 5.366 40 0 FKABRM CC(C)(C)c1ccccc1O[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000225090799 571014066 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CC(C)c1ccccc1O[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000225091285 571014607 /nfs/dbraw/zinc/01/46/07/571014607.db2.gz VYCCVJBFTVLUBI-QGZVFWFLSA-N -1 0 353.245 5.192 40 0 FKABRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)Oc1cccc2ccccc21 ZINC000225091800 571014590 /nfs/dbraw/zinc/01/45/90/571014590.db2.gz XJOCKQBCUHFFTN-GOSISDBHSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)Oc1cccc2ccccc21 ZINC000225091835 571014558 /nfs/dbraw/zinc/01/45/58/571014558.db2.gz XJOCKQBCUHFFTN-SFHVURJKSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccc2ccccc2c1 ZINC000225091890 571014612 /nfs/dbraw/zinc/01/46/12/571014612.db2.gz PEKXEUWRVPXXAY-GOSISDBHSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccc2ccccc2c1 ZINC000225091928 571014449 /nfs/dbraw/zinc/01/44/49/571014449.db2.gz PEKXEUWRVPXXAY-SFHVURJKSA-N -1 0 361.224 5.221 40 0 FKABRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)Sc1ccc(Cl)cc1 ZINC000225092173 206469294 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Cc1ccc(C(C)C)c2c1[C@@H]1O[C@H](C(C)C)[C@@H](C(=O)[O-])C[C@H]1C(C)(C)O2 ZINC000257212340 571318255 /nfs/dbraw/zinc/31/82/55/571318255.db2.gz CCYBXVXFWAUZKD-IXIUHKBRSA-N -1 0 360.494 5.092 40 0 FKABRM CC(C)c1nc(Cc2cccc(F)c2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257214455 571318277 /nfs/dbraw/zinc/31/82/77/571318277.db2.gz CMCFKPKPSWOPJZ-UHFFFAOYSA-N -1 0 367.395 5.439 40 0 FKABRM CCC[C@H]1O[C@H]2c3ccc(C(C)(C)C)cc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)[O-] ZINC000257229828 571318288 /nfs/dbraw/zinc/31/82/88/571318288.db2.gz FZQARONUQWWDOT-FAJBIJEISA-N -1 0 360.494 5.102 40 0 FKABRM CCC[C@H]1O[C@H]2c3ccc(C(C)(C)C)cc3OC(C)(C)[C@@H]2C[C@H]1C(=O)[O-] ZINC000257229829 571318294 /nfs/dbraw/zinc/31/82/94/571318294.db2.gz FZQARONUQWWDOT-MTNOOBJLSA-N -1 0 360.494 5.102 40 0 FKABRM Cc1cccc(C[C@@]2(C)CCc3cccc(-c4ccc(C(=O)[O-])cc4)c3O2)c1 ZINC000257230535 223029488 /nfs/dbraw/zinc/02/94/88/223029488.db2.gz GCTMLZKWMBXQGZ-RUZDIDTESA-N -1 0 372.464 5.687 40 0 FKABRM Cc1cccc(C[C@]2(C)CCc3cccc(-c4ccc(C(=O)[O-])cc4)c3O2)c1 ZINC000257230536 534727596 /nfs/dbraw/zinc/72/75/96/534727596.db2.gz GCTMLZKWMBXQGZ-VWLOTQADSA-N -1 0 372.464 5.687 40 0 FKABRM CC(C)Oc1ccc(-c2cccc(C(=O)[O-])c2OCc2ccccc2)cc1 ZINC000257233280 528127947 /nfs/dbraw/zinc/12/79/47/528127947.db2.gz GOPATYNCMYLAQH-UHFFFAOYSA-N -1 0 362.425 5.418 40 0 FKABRM Cc1cccc(C[C@@]2(C)CCc3cccc(-c4ccccc4C(=O)[O-])c3O2)c1 ZINC000257236516 223032505 /nfs/dbraw/zinc/03/25/05/223032505.db2.gz HCOBDHKPZPOBOJ-RUZDIDTESA-N -1 0 372.464 5.687 40 0 FKABRM Cc1cccc(C[C@]2(C)CCc3cccc(-c4ccccc4C(=O)[O-])c3O2)c1 ZINC000257236517 534727331 /nfs/dbraw/zinc/72/73/31/534727331.db2.gz HCOBDHKPZPOBOJ-VWLOTQADSA-N -1 0 372.464 5.687 40 0 FKABRM Cc1cccc(C[C@@]2(C)CCc3ccc(-c4cccc(C(=O)[O-])c4)cc3O2)c1 ZINC000257240242 571318299 /nfs/dbraw/zinc/31/82/99/571318299.db2.gz HSRNBOXURNAWIO-RUZDIDTESA-N -1 0 372.464 5.687 40 0 FKABRM Cc1cccc(C[C@]2(C)CCc3ccc(-c4cccc(C(=O)[O-])c4)cc3O2)c1 ZINC000257240243 209973908 /nfs/dbraw/zinc/97/39/08/209973908.db2.gz HSRNBOXURNAWIO-VWLOTQADSA-N -1 0 372.464 5.687 40 0 FKABRM CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000257241442 526407051 /nfs/dbraw/zinc/40/70/51/526407051.db2.gz HYAYJWBWFHRLCX-IBGZPJMESA-N -1 0 367.445 5.124 40 0 FKABRM CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000257241443 571321755 /nfs/dbraw/zinc/32/17/55/571321755.db2.gz HYAYJWBWFHRLCX-LJQANCHMSA-N -1 0 367.445 5.124 40 0 FKABRM Cc1cccc(C[C@@]2(C)CCc3cc(-c4ccc(C(=O)[O-])cc4)ccc3O2)c1 ZINC000257242324 223034619 /nfs/dbraw/zinc/03/46/19/223034619.db2.gz IBXXNOLDSYESEW-RUZDIDTESA-N -1 0 372.464 5.687 40 0 FKABRM Cc1cccc(C[C@]2(C)CCc3cc(-c4ccc(C(=O)[O-])cc4)ccc3O2)c1 ZINC000257242325 571318341 /nfs/dbraw/zinc/31/83/41/571318341.db2.gz IBXXNOLDSYESEW-VWLOTQADSA-N -1 0 372.464 5.687 40 0 FKABRM CC(C)c1nc(COc2ccccc2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257251035 528285622 /nfs/dbraw/zinc/28/56/22/528285622.db2.gz JPCUGWUQQWPHHE-UHFFFAOYSA-N -1 0 365.404 5.288 40 0 FKABRM CC(C)c1nc(CCC2CCCC2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257253540 209977314 /nfs/dbraw/zinc/97/73/14/209977314.db2.gz JZIDHTYMKNGIFG-UHFFFAOYSA-N -1 0 355.453 5.832 40 0 FKABRM O=C([O-])c1cccc(-c2ccc(C(F)(F)F)cc2)c1OCc1ccccc1 ZINC000257255166 209979321 /nfs/dbraw/zinc/97/93/21/209979321.db2.gz KGJWGBJVBBGSDI-UHFFFAOYSA-N -1 0 372.342 5.650 40 0 FKABRM CCC[C@H]1O[C@H]2c3cc(C(C)(C)C)ccc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)[O-] ZINC000257255972 528439747 /nfs/dbraw/zinc/43/97/47/528439747.db2.gz KJPNDKCXUBVDEY-FAJBIJEISA-N -1 0 360.494 5.102 40 0 FKABRM CCC[C@H]1O[C@H]2c3cc(C(C)(C)C)ccc3OC(C)(C)[C@@H]2C[C@H]1C(=O)[O-] ZINC000257255973 528440308 /nfs/dbraw/zinc/44/03/08/528440308.db2.gz KJPNDKCXUBVDEY-MTNOOBJLSA-N -1 0 360.494 5.102 40 0 FKABRM CC(C)(C)OC(=O)N1CCC[C@H]1c1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000257258982 571321823 /nfs/dbraw/zinc/32/18/23/571321823.db2.gz KWJAHOBPKBFTDS-IBGZPJMESA-N -1 0 367.445 5.124 40 0 FKABRM CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000257258983 206610505 /nfs/dbraw/zinc/61/05/05/206610505.db2.gz KWJAHOBPKBFTDS-LJQANCHMSA-N -1 0 367.445 5.124 40 0 FKABRM CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000257260205 526407534 /nfs/dbraw/zinc/40/75/34/526407534.db2.gz LBUBDYJUNSOKIK-IBGZPJMESA-N -1 0 367.445 5.124 40 0 FKABRM CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000257260206 526402313 /nfs/dbraw/zinc/40/23/13/526402313.db2.gz LBUBDYJUNSOKIK-LJQANCHMSA-N -1 0 367.445 5.124 40 0 FKABRM O=C([O-])c1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3ccccc3)n2)cc1 ZINC000257262240 571318325 /nfs/dbraw/zinc/31/83/25/571318325.db2.gz LKRQWBDIAPRPJZ-UHFFFAOYSA-N -1 0 372.399 5.103 40 0 FKABRM COc1ccc(Cl)cc1-c1cccc(C(=O)[O-])c1OCc1ccccc1 ZINC000257276640 571318322 /nfs/dbraw/zinc/31/83/22/571318322.db2.gz NUOHVAWPDDXOGV-UHFFFAOYSA-N -1 0 368.816 5.293 40 0 FKABRM CC(C)Cc1nc(Cc2ccccc2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257279114 571318327 /nfs/dbraw/zinc/31/83/27/571318327.db2.gz OFATWWNAHRNXBI-UHFFFAOYSA-N -1 0 363.432 5.375 40 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CC(C)(C)OC(=O)N1CCC[C@H]1c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000257341172 526406984 /nfs/dbraw/zinc/40/69/84/526406984.db2.gz ZJCOPPDVQWZOPR-IBGZPJMESA-N -1 0 367.445 5.124 40 0 FKABRM CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000257341173 526402440 /nfs/dbraw/zinc/40/24/40/526402440.db2.gz ZJCOPPDVQWZOPR-LJQANCHMSA-N -1 0 367.445 5.124 40 0 FKABRM O=C([O-])c1cccc(-c2cccc(C(F)(F)F)c2)c1OCc1ccccc1 ZINC000257343744 223073908 /nfs/dbraw/zinc/07/39/08/223073908.db2.gz ZUFWNUGFMHDGAI-UHFFFAOYSA-N -1 0 372.342 5.650 40 0 FKABRM O=C([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)c1 ZINC000408605324 570958002 /nfs/dbraw/zinc/95/80/02/570958002.db2.gz GIJSTRADXCZEDG-UHFFFAOYSA-N -1 0 367.832 5.229 40 0 FKABRM O=C([O-])c1cccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)c1 ZINC000408606199 570957770 /nfs/dbraw/zinc/95/77/70/570957770.db2.gz HOSYLVVNOLKTDD-UHFFFAOYSA-N -1 0 367.832 5.229 40 0 FKABRM O=C([O-])c1cccc(NCc2ccccc2OCc2cccc(Cl)c2)c1 ZINC000408607229 263480856 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O=C([O-])c1cccc(NCc2cn(Cc3ccccc3F)c3ccccc23)c1 ZINC000408611673 570956849 /nfs/dbraw/zinc/95/68/49/570956849.db2.gz QQHOYCPWVZAFRO-UHFFFAOYSA-N -1 0 374.415 5.139 40 0 FKABRM Cc1cc(Br)ccc1NCc1cc(Cl)c([O-])c(Cl)c1 ZINC000408611821 570956809 /nfs/dbraw/zinc/95/68/09/570956809.db2.gz RSGSODPRRTZMEB-UHFFFAOYSA-N -1 0 361.066 5.382 40 0 FKABRM O=C([O-])c1cccc(NCc2ccccc2OCc2ccc(Cl)cc2)c1 ZINC000408612527 570956806 /nfs/dbraw/zinc/95/68/06/570956806.db2.gz SBHFFWBYIOZMMS-UHFFFAOYSA-N -1 0 367.832 5.229 40 0 FKABRM O=C([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000408612563 570956948 /nfs/dbraw/zinc/95/69/48/570956948.db2.gz SOSBOOMLSBSSAR-UHFFFAOYSA-N -1 0 367.832 5.229 40 0 FKABRM O=C([O-])c1cccc(NCc2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000408613836 263481945 /nfs/dbraw/zinc/48/19/45/263481945.db2.gz WHCLBNGNWCAWND-UHFFFAOYSA-N -1 0 367.832 5.229 40 0 FKABRM O=C([O-])c1cccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)c1 ZINC000408614126 570583849 /nfs/dbraw/zinc/58/38/49/570583849.db2.gz YQEGJFSRSQEBMF-UHFFFAOYSA-N 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ZINC000408993925 571110503 /nfs/dbraw/zinc/11/05/03/571110503.db2.gz DUAISZKRIPTSND-FIXSFTCYSA-N -1 0 369.464 5.473 40 0 FKABRM Cc1ccc(C)c([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@H]32)c1 ZINC000408993927 571110485 /nfs/dbraw/zinc/11/04/85/571110485.db2.gz DUAISZKRIPTSND-GPXNEJASSA-N -1 0 369.464 5.473 40 0 FKABRM Cc1ccc(C)c([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@@H]32)c1 ZINC000408993930 571110500 /nfs/dbraw/zinc/11/05/00/571110500.db2.gz DUAISZKRIPTSND-ZDXQCDESSA-N -1 0 369.464 5.473 40 0 FKABRM Cc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@@H]32)cc1 ZINC000408996098 570709091 /nfs/dbraw/zinc/70/90/91/570709091.db2.gz OCQZJBIZUFYHNE-BDTNDASRSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@@H]32)cc1 ZINC000408996101 570708981 /nfs/dbraw/zinc/70/89/81/570708981.db2.gz OCQZJBIZUFYHNE-FKBYEOEOSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@H]32)cc1 ZINC000408996103 571110495 /nfs/dbraw/zinc/11/04/95/571110495.db2.gz OCQZJBIZUFYHNE-FSSWDIPSSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@H]32)cc1 ZINC000408996105 570709059 /nfs/dbraw/zinc/70/90/59/570709059.db2.gz OCQZJBIZUFYHNE-VSKRKVRLSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)c1 ZINC000408996169 570709078 /nfs/dbraw/zinc/70/90/78/570709078.db2.gz LGFJLFCOBBNSAP-MZYLBHOOSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)c1 ZINC000408996171 571110479 /nfs/dbraw/zinc/11/04/79/571110479.db2.gz LGFJLFCOBBNSAP-PMVMPFDFSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)c1 ZINC000408996173 570709043 /nfs/dbraw/zinc/70/90/43/570709043.db2.gz LGFJLFCOBBNSAP-PUHATCMVSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1cccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)c1 ZINC000408996175 570709150 /nfs/dbraw/zinc/70/91/50/570709150.db2.gz LGFJLFCOBBNSAP-WWNPGLIZSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)cc1 ZINC000409000424 571110711 /nfs/dbraw/zinc/11/07/11/571110711.db2.gz SXQKPIGWUVHRIU-MZYLBHOOSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 ZINC000409000428 263515608 /nfs/dbraw/zinc/51/56/08/263515608.db2.gz SXQKPIGWUVHRIU-PMVMPFDFSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 ZINC000409000432 571110767 /nfs/dbraw/zinc/11/07/67/571110767.db2.gz SXQKPIGWUVHRIU-PUHATCMVSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)cc1 ZINC000409000437 571110715 /nfs/dbraw/zinc/11/07/15/571110715.db2.gz SXQKPIGWUVHRIU-WWNPGLIZSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1cccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@@H]32)c1 ZINC000409000517 570710525 /nfs/dbraw/zinc/71/05/25/570710525.db2.gz TVYUXCRLXHBGBK-BDTNDASRSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1cccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@@H]32)c1 ZINC000409000521 571110669 /nfs/dbraw/zinc/11/06/69/571110669.db2.gz TVYUXCRLXHBGBK-FKBYEOEOSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1cccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@H]32)c1 ZINC000409000524 263515834 /nfs/dbraw/zinc/51/58/34/263515834.db2.gz TVYUXCRLXHBGBK-FSSWDIPSSA-N -1 0 355.437 5.164 40 0 FKABRM Cc1cccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@H]32)c1 ZINC000409000527 570710587 /nfs/dbraw/zinc/71/05/87/570710587.db2.gz TVYUXCRLXHBGBK-VSKRKVRLSA-N -1 0 355.437 5.164 40 0 FKABRM O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Cl)c([O-])c(Cl)c1 ZINC000409100827 570723911 /nfs/dbraw/zinc/72/39/11/570723911.db2.gz WZJYPTWJIFLZJK-KMKOMSMNSA-N -1 0 374.145 5.211 40 0 FKABRM CCc1ccc(NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409109445 571134845 /nfs/dbraw/zinc/13/48/45/571134845.db2.gz DZEQNURMUSQPLY-UHFFFAOYSA-N -1 0 361.441 5.138 40 0 FKABRM CCOc1cc(CNc2cccc(Cl)c2C)cc(Br)c1O ZINC000409112314 570725749 /nfs/dbraw/zinc/72/57/49/570725749.db2.gz FTSRPTNWLATVEL-UHFFFAOYSA-N -1 0 370.674 5.127 40 0 FKABRM Cc1ccc(NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1C ZINC000409118326 263528639 /nfs/dbraw/zinc/52/86/39/263528639.db2.gz PYAMDRJJYTXKBZ-UHFFFAOYSA-N -1 0 361.441 5.193 40 0 FKABRM Cc1ccc(C)c(NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409118371 570727778 /nfs/dbraw/zinc/72/77/78/570727778.db2.gz PLKOJDIJJSADOI-UHFFFAOYSA-N -1 0 361.441 5.193 40 0 FKABRM Cc1ccc(NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000409118453 571137633 /nfs/dbraw/zinc/13/76/33/571137633.db2.gz QGUGIWQTVDMEGV-UHFFFAOYSA-N -1 0 361.441 5.193 40 0 FKABRM CC(C)CN1C(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)c2ccccc21 ZINC000409118855 571137622 /nfs/dbraw/zinc/13/76/22/571137622.db2.gz RFRJQSPFRYAHSK-AUWJEWJLSA-N -1 0 362.256 5.242 40 0 FKABRM [O-]c1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000409121746 571138667 /nfs/dbraw/zinc/13/86/67/571138667.db2.gz WBBYQEHTGCUXSO-UHFFFAOYSA-N -1 0 360.240 6.103 40 0 FKABRM CCc1ccccc1NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409129373 571146086 /nfs/dbraw/zinc/14/60/86/571146086.db2.gz GKXDZPPHYQUXNL-UHFFFAOYSA-N -1 0 361.441 5.138 40 0 FKABRM Cc1cccc(NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)c1C ZINC000409131359 570729302 /nfs/dbraw/zinc/72/93/02/570729302.db2.gz JAKYNUGRPKLXMH-UHFFFAOYSA-N -1 0 361.441 5.193 40 0 FKABRM O=C([O-])c1cccc(COc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000409189005 263539290 /nfs/dbraw/zinc/53/92/90/263539290.db2.gz MQPPTDGIOMXODH-UHFFFAOYSA-N -1 0 361.422 5.241 40 0 FKABRM O=C([O-])c1ccc(-c2ccc(-c3nc4ccccc4s3)o2)cc1Cl ZINC000409189675 570739233 /nfs/dbraw/zinc/73/92/33/570739233.db2.gz MSCDRHXREKRTRT-UHFFFAOYSA-N -1 0 355.802 5.575 40 0 FKABRM O=C([O-])c1ccc(COc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000409189864 571217068 /nfs/dbraw/zinc/21/70/68/571217068.db2.gz JMJSLUXTCUIJOE-UHFFFAOYSA-N -1 0 361.422 5.241 40 0 FKABRM O=C([O-])c1cc(-c2ccc(-c3nc4ccccc4s3)o2)ccc1Cl ZINC000409191777 570738054 /nfs/dbraw/zinc/73/80/54/570738054.db2.gz NBKGFWSZFNYQGO-UHFFFAOYSA-N -1 0 355.802 5.575 40 0 FKABRM O=C([O-])c1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000409193609 570738107 /nfs/dbraw/zinc/73/81/07/570738107.db2.gz HSOSKKLYKXCKEW-UHFFFAOYSA-N -1 0 361.422 5.241 40 0 FKABRM Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)c1 ZINC000409336943 571235507 /nfs/dbraw/zinc/23/55/07/571235507.db2.gz RGARWTGHLDMRCB-NHTMILBNSA-N -1 0 369.464 5.473 40 0 FKABRM Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)c1 ZINC000409336944 570751598 /nfs/dbraw/zinc/75/15/98/570751598.db2.gz RGARWTGHLDMRCB-XWGVYQGASA-N -1 0 369.464 5.473 40 0 FKABRM O=S(=O)([N-]c1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1cccs1 ZINC000409338113 263548988 /nfs/dbraw/zinc/54/89/88/263548988.db2.gz DFWFPVPBOIDNHO-UHFFFAOYSA-N -1 0 373.543 5.089 40 0 FKABRM Cc1cc(-c2ccc(Cl)cc2)nc(SCc2ccc(C(=O)[O-])cc2)n1 ZINC000409384863 570755016 /nfs/dbraw/zinc/75/50/16/570755016.db2.gz GAHZLXBATSRJCO-UHFFFAOYSA-N -1 0 370.861 5.096 40 0 FKABRM Cc1cc(-c2ccc(Cl)cc2)nc(SCc2cccc(C(=O)[O-])c2)n1 ZINC000409386802 570756761 /nfs/dbraw/zinc/75/67/61/570756761.db2.gz XXCVDYXNSCQIDN-UHFFFAOYSA-N -1 0 370.861 5.096 40 0 FKABRM CCCC[C@@H](CC)CN(C[C@@H](CC)CCCC)C(=O)CSCC(=O)[O-] ZINC000521825356 571277964 /nfs/dbraw/zinc/27/79/64/571277964.db2.gz CGVFZPNOGIKIDP-HDICACEKSA-N -1 0 373.603 5.066 40 0 FKABRM CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)C(=O)CSCC(=O)[O-] ZINC000521825357 571277914 /nfs/dbraw/zinc/27/79/14/571277914.db2.gz CGVFZPNOGIKIDP-QZTJIDSGSA-N -1 0 373.603 5.066 40 0 FKABRM CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C(=O)CSCC(=O)[O-] ZINC000521825358 571277897 /nfs/dbraw/zinc/27/78/97/571277897.db2.gz CGVFZPNOGIKIDP-ROUUACIJSA-N -1 0 373.603 5.066 40 0 FKABRM CCCOc1ccccc1-c1ccc(C(=O)[O-])c(CCc2ccccc2)c1 ZINC000585264345 571157756 /nfs/dbraw/zinc/15/77/56/571157756.db2.gz BEUBSMPHOXORFD-UHFFFAOYSA-N -1 0 360.453 5.626 40 0 FKABRM CCc1nc(-c2ccc(Cl)cc2OCc2ccccc2)ccc1C(=O)[O-] ZINC000585264957 571157713 /nfs/dbraw/zinc/15/77/13/571157713.db2.gz CENMVKPXEGOGDW-UHFFFAOYSA-N -1 0 367.832 5.242 40 0 FKABRM CC(C)Oc1ccccc1-c1ccc(C(=O)[O-])c(CCC2CCCC2)n1 ZINC000585265000 571157941 /nfs/dbraw/zinc/15/79/41/571157941.db2.gz DNTSVIFWMFIEPY-UHFFFAOYSA-N -1 0 353.462 5.357 40 0 FKABRM CCCc1nc(-c2cc(C)ccc2OCc2ccccc2)ccc1C(=O)[O-] ZINC000585265020 571157965 /nfs/dbraw/zinc/15/79/65/571157965.db2.gz CJXXTKSRWJPGEW-UHFFFAOYSA-N -1 0 361.441 5.287 40 0 FKABRM Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)[O-])c(C(C)C)n2)c1 ZINC000585265021 571158019 /nfs/dbraw/zinc/15/80/19/571158019.db2.gz CKLVXXYYVGNQIU-UHFFFAOYSA-N -1 0 361.441 5.458 40 0 FKABRM CCCc1nc(CC2CCCC2)c(C(=O)[O-])cc1-c1ccc(Cl)cc1 ZINC000585265035 571157957 /nfs/dbraw/zinc/15/79/57/571157957.db2.gz CTXGUEIMXXZYKY-UHFFFAOYSA-N -1 0 357.881 5.785 40 0 FKABRM Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(CCC3CCCC3)n2)c1 ZINC000585265041 571157933 /nfs/dbraw/zinc/15/79/33/571157933.db2.gz CXRCHAACMVPKIM-UHFFFAOYSA-N -1 0 367.489 5.665 40 0 FKABRM CC(C)c1nc(Cc2ccccc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265083 571157969 /nfs/dbraw/zinc/15/79/69/571157969.db2.gz FWUOAUILPBNAEC-UHFFFAOYSA-N -1 0 365.860 5.814 40 0 FKABRM CCCc1nc(CCc2ccccc2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000585265087 570481868 /nfs/dbraw/zinc/48/18/68/570481868.db2.gz GAAAOHNHSNUCEU-UHFFFAOYSA-N -1 0 363.432 5.324 40 0 FKABRM CC(C)Oc1ccccc1-c1ccc(C(=O)[O-])c(CCC2CCCCC2)n1 ZINC000585265125 571157973 /nfs/dbraw/zinc/15/79/73/571157973.db2.gz HDHSXRVGHDGNRW-UHFFFAOYSA-N -1 0 367.489 5.747 40 0 FKABRM CC(C)Cc1nc(CC2CCCC2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265349 571157675 /nfs/dbraw/zinc/15/76/75/571157675.db2.gz MLMWVIJYZGZZTB-UHFFFAOYSA-N -1 0 371.908 6.031 40 0 FKABRM CCCc1nc(Cc2ccc(F)cc2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000585265353 571157674 /nfs/dbraw/zinc/15/76/74/571157674.db2.gz MPWCJJLONBATIA-UHFFFAOYSA-N -1 0 367.395 5.268 40 0 FKABRM CC(C)CCC[C@]1(C)Oc2cc(CCC(=O)[O-])ccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265400 571157670 /nfs/dbraw/zinc/15/76/70/571157670.db2.gz BERXZMGCZKPAPY-AUUXCDECSA-N -1 0 374.521 5.537 40 0 FKABRM CC(C)CCC[C@@]1(C)Oc2cc(CCC(=O)[O-])ccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265406 571125491 /nfs/dbraw/zinc/12/54/91/571125491.db2.gz BERXZMGCZKPAPY-XHBDVGQISA-N -1 0 374.521 5.537 40 0 FKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(CCC2CCCC2)n1 ZINC000585265421 571157761 /nfs/dbraw/zinc/15/77/61/571157761.db2.gz OTDDSOJSMLWKAT-UHFFFAOYSA-N -1 0 367.489 5.667 40 0 FKABRM CC(C)Cc1nc(CCC2CCCC2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000585265447 571157690 /nfs/dbraw/zinc/15/76/90/571157690.db2.gz QEYMOSYZAGYIRS-UHFFFAOYSA-N -1 0 369.480 5.907 40 0 FKABRM CCOc1ccccc1-c1ccc(C(=O)[O-])c(CCC2CCCCC2)n1 ZINC000585265448 570482214 /nfs/dbraw/zinc/48/22/14/570482214.db2.gz MKCICKRUAZHSCR-UHFFFAOYSA-N -1 0 353.462 5.358 40 0 FKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(CC2CCCC2)n1 ZINC000585265471 570482322 /nfs/dbraw/zinc/48/23/22/570482322.db2.gz MVMLHDLLNUGINZ-UHFFFAOYSA-N -1 0 359.853 5.232 40 0 FKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(CC2CCCC2)n1 ZINC000585265496 571157724 /nfs/dbraw/zinc/15/77/24/571157724.db2.gz RKTLCUZXHUHADX-UHFFFAOYSA-N -1 0 353.462 5.277 40 0 FKABRM Cc1ccccc1C[C@@]1(C)CCc2ccc(-c3cccc(C(=O)[O-])c3)cc2O1 ZINC000585265510 570482288 /nfs/dbraw/zinc/48/22/88/570482288.db2.gz GMRHLSRUKTXZNW-RUZDIDTESA-N -1 0 372.464 5.687 40 0 FKABRM Cc1ccccc1C[C@]1(C)CCc2ccc(-c3cccc(C(=O)[O-])c3)cc2O1 ZINC000585265518 570482332 /nfs/dbraw/zinc/48/23/32/570482332.db2.gz GMRHLSRUKTXZNW-VWLOTQADSA-N -1 0 372.464 5.687 40 0 FKABRM CC(C)CCC[C@]1(C)Oc2ccc(CC(=O)[O-])cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265527 571125626 /nfs/dbraw/zinc/12/56/26/571125626.db2.gz GTSLHQWOTIHRKK-ALALXSPKSA-N -1 0 360.494 5.147 40 0 FKABRM CC(C)CCC[C@@]1(C)Oc2ccc(CC(=O)[O-])cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265533 571157718 /nfs/dbraw/zinc/15/77/18/571157718.db2.gz GTSLHQWOTIHRKK-IODINVCISA-N -1 0 360.494 5.147 40 0 FKABRM CC(C)Oc1ccccc1-c1ccc(C(=O)[O-])c(CCc2ccccc2)n1 ZINC000585265536 571157676 /nfs/dbraw/zinc/15/76/76/571157676.db2.gz NOMAWEQYLCYWDV-UHFFFAOYSA-N -1 0 361.441 5.019 40 0 FKABRM CC(C)CCC[C@@]1(C)Oc2ccc(CCC(=O)[O-])cc2[C@@H]2OCCC[C@H]21 ZINC000585265546 571157731 /nfs/dbraw/zinc/15/77/31/571157731.db2.gz ILXKXRUVTBSVPC-BVYCBKJFSA-N -1 0 360.494 5.149 40 0 FKABRM CC(C)CCC[C@]1(C)Oc2ccc(CCC(=O)[O-])cc2[C@@H]2OCCC[C@H]21 ZINC000585265547 571125468 /nfs/dbraw/zinc/12/54/68/571125468.db2.gz ILXKXRUVTBSVPC-COPCDDAFSA-N -1 0 360.494 5.149 40 0 FKABRM CC(C)CCC[C@@]1(C)Oc2cc(CCC(=O)[O-])ccc2[C@@H]2OCCC[C@H]21 ZINC000585265557 570482350 /nfs/dbraw/zinc/48/23/50/570482350.db2.gz JHQVOSBPECFUCD-BVYCBKJFSA-N -1 0 360.494 5.149 40 0 FKABRM CC(C)CCC[C@]1(C)Oc2cc(CCC(=O)[O-])ccc2[C@@H]2OCCC[C@H]21 ZINC000585265558 571157700 /nfs/dbraw/zinc/15/77/00/571157700.db2.gz JHQVOSBPECFUCD-COPCDDAFSA-N -1 0 360.494 5.149 40 0 FKABRM CC(C)c1nc(CC2CCCC2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265646 571157932 /nfs/dbraw/zinc/15/79/32/571157932.db2.gz WKPRFUMROOUJCL-UHFFFAOYSA-N -1 0 357.881 5.956 40 0 FKABRM Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(CC3CCCC3)n2)c1 ZINC000585265648 571157980 /nfs/dbraw/zinc/15/79/80/571157980.db2.gz WLKWFANRPRDCAT-UHFFFAOYSA-N -1 0 353.462 5.275 40 0 FKABRM CCCc1nc(COc2ccccc2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000585265708 571157939 /nfs/dbraw/zinc/15/79/39/571157939.db2.gz YQVIFKLDCVPCMY-UHFFFAOYSA-N -1 0 365.404 5.117 40 0 FKABRM CCCc1nc(C(C)C)c(C(=O)[O-])cc1-c1ccc(Br)cc1 ZINC000585265716 570482141 /nfs/dbraw/zinc/48/21/41/570482141.db2.gz ZIQOIQNLBPZYSM-UHFFFAOYSA-N -1 0 362.267 5.285 40 0 FKABRM CC(C)CCC[C@]1(C)Oc2ccc(CCC(=O)[O-])cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265766 571157991 /nfs/dbraw/zinc/15/79/91/571157991.db2.gz PMYACWTYQIUKDA-AUUXCDECSA-N -1 0 374.521 5.537 40 0 FKABRM CC(C)CCC[C@@]1(C)Oc2ccc(CCC(=O)[O-])cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265767 570482339 /nfs/dbraw/zinc/48/23/39/570482339.db2.gz PMYACWTYQIUKDA-XHBDVGQISA-N -1 0 374.521 5.537 40 0 FKABRM Cc1ccccc1C[C@@]1(C)CCc2ccc(-c3ccc(C(=O)[O-])cc3)cc2O1 ZINC000585265814 571157922 /nfs/dbraw/zinc/15/79/22/571157922.db2.gz QUIZIKQYDLINHE-RUZDIDTESA-N -1 0 372.464 5.687 40 0 FKABRM Cc1ccccc1C[C@]1(C)CCc2ccc(-c3ccc(C(=O)[O-])cc3)cc2O1 ZINC000585265815 571158000 /nfs/dbraw/zinc/15/80/00/571158000.db2.gz QUIZIKQYDLINHE-VWLOTQADSA-N -1 0 372.464 5.687 40 0 FKABRM CCCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(CC2CCCC2)n1 ZINC000585265845 571157988 /nfs/dbraw/zinc/15/79/88/571157988.db2.gz SMDNVUMKALNXQW-UHFFFAOYSA-N -1 0 373.880 5.622 40 0 FKABRM Cc1ccccc1C[C@@]1(C)CCc2cc(-c3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000585265859 571157994 /nfs/dbraw/zinc/15/79/94/571157994.db2.gz SOKZDVIEIVDOCQ-RUZDIDTESA-N -1 0 372.464 5.687 40 0 FKABRM Cc1ccccc1C[C@]1(C)CCc2cc(-c3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000585265862 571157945 /nfs/dbraw/zinc/15/79/45/571157945.db2.gz SOKZDVIEIVDOCQ-VWLOTQADSA-N -1 0 372.464 5.687 40 0 FKABRM Cc1ccccc1C[C@@]1(C)CCc2cc(-c3cccc(C(=O)[O-])c3)ccc2O1 ZINC000585265878 571157930 /nfs/dbraw/zinc/15/79/30/571157930.db2.gz USCRTATXOFWVDP-RUZDIDTESA-N -1 0 372.464 5.687 40 0 FKABRM Cc1ccccc1C[C@]1(C)CCc2cc(-c3cccc(C(=O)[O-])c3)ccc2O1 ZINC000585265879 571157990 /nfs/dbraw/zinc/15/79/90/571157990.db2.gz USCRTATXOFWVDP-VWLOTQADSA-N -1 0 372.464 5.687 40 0 FKABRM Cc1ccccc1C[C@@]1(C)CCc2cccc(-c3cccc(C(=O)[O-])c3)c2O1 ZINC000585265936 571157963 /nfs/dbraw/zinc/15/79/63/571157963.db2.gz YKGQRUORGUQSIC-RUZDIDTESA-N -1 0 372.464 5.687 40 0 FKABRM Cc1ccccc1C[C@]1(C)CCc2cccc(-c3cccc(C(=O)[O-])c3)c2O1 ZINC000585265939 570482200 /nfs/dbraw/zinc/48/22/00/570482200.db2.gz YKGQRUORGUQSIC-VWLOTQADSA-N -1 0 372.464 5.687 40 0 FKABRM O=C([O-])CCCCCCCCCCCCc1ccc(Cl)c(Cl)c1 ZINC000604220549 571114572 /nfs/dbraw/zinc/11/45/72/571114572.db2.gz ZIKLOTUJDAFTKF-UHFFFAOYSA-N -1 0 359.337 6.912 40 0 FKABRM CC(C)c1c(=O)c2cc(OCc3ccccc3)ccc2[n-]c1C(F)(F)F ZINC000685938003 571318986 /nfs/dbraw/zinc/31/89/86/571318986.db2.gz HSMNTANIODIQOE-UHFFFAOYSA-N -1 0 361.363 5.662 40 0 FKABRM CC(C)c1c(=O)c2cc(SC(F)(F)F)ccc2[n-]c1C(F)(F)F ZINC000685938005 571318926 /nfs/dbraw/zinc/31/89/26/571318926.db2.gz PWYJZPNIWKKNLG-UHFFFAOYSA-N -1 0 355.303 5.695 40 0 FKABRM