smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 ZINC000003113714 194227182 /nfs/dbraw/zinc/22/71/82/194227182.db2.gz YMYMSPZIOIEIMD-KIBLKLHPSA-N -1 1 476.157 7.329 50 30 JKEAMM Cc1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1 ZINC000003116213 194227765 /nfs/dbraw/zinc/22/77/65/194227765.db2.gz ABVAJQZAFGCTIZ-UVHMKAGCSA-N -1 1 473.326 6.881 50 30 JKEAMM CCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccccc1)c1ccccc21 ZINC000003368517 194304534 /nfs/dbraw/zinc/30/45/34/194304534.db2.gz QMMBPOSMLPAGMT-UHFFFAOYSA-N -1 1 479.598 6.822 50 30 JKEAMM [O-]c1c(Cl)cc(Br)cc1/C=N/c1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000003657357 194353754 /nfs/dbraw/zinc/35/37/54/194353754.db2.gz JSYCORFDOBMHJG-AUEPDCJTSA-N -1 1 459.752 6.541 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000004014480 194369751 /nfs/dbraw/zinc/36/97/51/194369751.db2.gz PWXGCSADNXIHHC-GOSISDBHSA-N -1 1 473.710 5.182 50 30 JKEAMM CCCc1cc(=O)[n-]c(NN=Cc2ccc(OCc3c(Cl)ccc(Cl)c3Cl)c(OC)c2)n1 ZINC000006143450 194414408 /nfs/dbraw/zinc/41/44/08/194414408.db2.gz ODRQFSKKWCWAKA-KBKYJPHKSA-N -1 1 495.794 5.716 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl ZINC000012641968 195071577 /nfs/dbraw/zinc/07/15/77/195071577.db2.gz YGVUYGRJHUXOIC-JOCHJYFZSA-N -1 1 482.319 5.548 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000102368560 130121620 /nfs/dbraw/zinc/12/16/20/130121620.db2.gz KBBXLVCPZGZLMV-JBCNATCCSA-N -1 1 487.339 5.703 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000102430559 130129894 /nfs/dbraw/zinc/12/98/94/130129894.db2.gz YHEUAYNCMSURMU-YDJIHCHBSA-N -1 1 475.551 5.327 50 30 JKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(F)cc2)no1 ZINC000102484644 130138395 /nfs/dbraw/zinc/13/83/95/130138395.db2.gz IVLKCAPFMKFNGH-YDJIHCHBSA-N -1 1 499.336 5.500 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102485004 130139024 /nfs/dbraw/zinc/13/90/24/130139024.db2.gz IUIAKSBFACFAJF-MRJHHRETSA-N -1 1 455.407 5.779 50 30 JKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102492921 130147726 /nfs/dbraw/zinc/14/77/26/130147726.db2.gz DNQPIGDJTCWVBI-MOBKVPTQSA-N -1 1 484.533 5.018 50 30 JKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(F)cc1 ZINC000102494901 130149192 /nfs/dbraw/zinc/14/91/92/130149192.db2.gz QRLDPDBJDBSTCH-GHNGSUTGSA-N -1 1 454.479 5.262 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(F)c2)o1 ZINC000102497494 130151744 /nfs/dbraw/zinc/15/17/44/130151744.db2.gz QGCATLWONQYSBZ-OBVHCKHUSA-N -1 1 462.502 5.580 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102500027 130153901 /nfs/dbraw/zinc/15/39/01/130153901.db2.gz VVSAVHQWLQBMOL-JBCNATCCSA-N -1 1 460.942 5.884 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102501043 130154877 /nfs/dbraw/zinc/15/48/77/130154877.db2.gz UCJFSQNKNBOSHA-ASBZNUFUSA-N -1 1 464.930 5.786 50 30 JKEAMM COc1ccccc1[C@H]1C(=C([O-])c2ccco2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000102504800 130159094 /nfs/dbraw/zinc/15/90/94/130159094.db2.gz ZQEOGFIBKWKZLN-PGVNHDJNSA-N -1 1 460.511 5.141 50 30 JKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000102504800 130159098 /nfs/dbraw/zinc/15/90/98/130159098.db2.gz ZQEOGFIBKWKZLN-PGVNHDJNSA-N -1 1 460.511 5.141 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2F)cc1Cl ZINC000102505613 130160118 /nfs/dbraw/zinc/16/01/18/130160118.db2.gz AQQOUXKCHSCMDH-WOOAAIBNSA-N -1 1 472.925 5.187 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000102506689 130160986 /nfs/dbraw/zinc/16/09/86/130160986.db2.gz UADPDGNCEKLQJF-WOOAAIBNSA-N -1 1 489.380 5.702 50 30 JKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102509940 130164415 /nfs/dbraw/zinc/16/44/15/130164415.db2.gz KZKKAQWAZXOGCZ-MOBKVPTQSA-N -1 1 474.969 6.193 50 30 JKEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)o1 ZINC000102513822 130167586 /nfs/dbraw/zinc/16/75/86/130167586.db2.gz LPIJIDQATYOYLB-HOGKFDNTSA-N -1 1 490.556 6.261 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)o1 ZINC000102513822 130167587 /nfs/dbraw/zinc/16/75/87/130167587.db2.gz LPIJIDQATYOYLB-HOGKFDNTSA-N -1 1 490.556 6.261 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102515856 130169023 /nfs/dbraw/zinc/16/90/23/130169023.db2.gz IODVGJPRCAFHAP-JBCNATCCSA-N -1 1 478.476 5.209 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102518571 130171488 /nfs/dbraw/zinc/17/14/88/130171488.db2.gz QPWFRDYDGMFWPM-NHFXJNLRSA-N -1 1 464.474 5.053 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102523502 130175680 /nfs/dbraw/zinc/17/56/80/130175680.db2.gz WZPQJSRYWNIJRM-HOGKFDNTSA-N -1 1 458.539 5.947 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(F)c3)sc2c1 ZINC000102526641 130179158 /nfs/dbraw/zinc/17/91/58/130179158.db2.gz ZUJALVCKOPBZQG-MRJHHRETSA-N -1 1 462.477 5.509 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)sc1C ZINC000102526913 130179204 /nfs/dbraw/zinc/17/92/04/130179204.db2.gz ULEGJXANYXISFY-LFVOPCPISA-N -1 1 483.387 5.457 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102527840 130180374 /nfs/dbraw/zinc/18/03/74/130180374.db2.gz YACHETDBGNSCMC-MRJHHRETSA-N -1 1 462.477 5.509 50 30 JKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102528221 130180819 /nfs/dbraw/zinc/18/08/19/130180819.db2.gz BWRAWQVMGJSGAV-YDJIHCHBSA-N -1 1 496.541 5.140 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102528891 130181816 /nfs/dbraw/zinc/18/18/16/130181816.db2.gz JMOZDIGFWPXCQS-LFVOPCPISA-N -1 1 466.515 5.132 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102529744 130183173 /nfs/dbraw/zinc/18/31/73/130183173.db2.gz CJQNUILGEOGBDV-YDJIHCHBSA-N -1 1 457.835 5.985 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102532572 130186374 /nfs/dbraw/zinc/18/63/74/130186374.db2.gz YILIDIPCXLSEPD-LFVOPCPISA-N -1 1 466.902 5.178 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102534234 130188573 /nfs/dbraw/zinc/18/85/73/130188573.db2.gz VWNVOKUQZOBYOV-ZHHPLPSFSA-N -1 1 462.933 5.493 50 30 JKEAMM COc1cccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102540243 130195623 /nfs/dbraw/zinc/19/56/23/130195623.db2.gz SKZPFXCNRQMGAR-MRJHHRETSA-N -1 1 460.486 5.070 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102540243 130195626 /nfs/dbraw/zinc/19/56/26/130195626.db2.gz SKZPFXCNRQMGAR-MRJHHRETSA-N -1 1 460.486 5.070 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(F)c3)nc2c(C)c1 ZINC000102542189 130198218 /nfs/dbraw/zinc/19/82/18/130198218.db2.gz ZAPGWJUOKNPZSD-IAMBOQNYSA-N -1 1 476.504 5.818 50 30 JKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000102547556 130201455 /nfs/dbraw/zinc/20/14/55/130201455.db2.gz NCNAHAMSPQELFK-NXLSWJSLSA-N -1 1 498.560 5.362 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000102554831 130205448 /nfs/dbraw/zinc/20/54/48/130205448.db2.gz UEVSZZODYLOIMM-ZZIWUOEGSA-N -1 1 498.560 5.311 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102559765 130208606 /nfs/dbraw/zinc/20/86/06/130208606.db2.gz IEYGYPNVEVLAOL-NXLSWJSLSA-N -1 1 460.530 5.522 50 30 JKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1cccc(Br)c1 ZINC000102582152 130216796 /nfs/dbraw/zinc/21/67/96/130216796.db2.gz ZZNYISAFXYSDFP-JBCNATCCSA-N -1 1 464.315 5.084 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102587719 130217641 /nfs/dbraw/zinc/21/76/41/130217641.db2.gz SATWKQMAYCMSLZ-NHFXJNLRSA-N -1 1 457.835 5.985 50 30 JKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102591993 130218542 /nfs/dbraw/zinc/21/85/42/130218542.db2.gz UTHNNXRLJCRVLR-ZVRPETLXSA-N -1 1 487.364 5.400 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102607366 130222541 /nfs/dbraw/zinc/22/25/41/130222541.db2.gz SDCUVGIEBJTPLS-MRJHHRETSA-N -1 1 471.406 5.479 50 30 JKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102615754 130224644 /nfs/dbraw/zinc/22/46/44/130224644.db2.gz UTLLKIJOEKLOEC-XTNNDJGYSA-N -1 1 490.581 5.272 50 30 JKEAMM COc1cc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102620890 130225599 /nfs/dbraw/zinc/22/55/99/130225599.db2.gz OQFBKZSZBQCDTJ-SBXHHDGASA-N -1 1 476.529 5.043 50 30 JKEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102620890 130225602 /nfs/dbraw/zinc/22/56/02/130225602.db2.gz OQFBKZSZBQCDTJ-SBXHHDGASA-N -1 1 476.529 5.043 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102694839 130241077 /nfs/dbraw/zinc/24/10/77/130241077.db2.gz XRYRIBAOFPDCPS-AYWGPLOBSA-N -1 1 486.549 5.248 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102704047 130249273 /nfs/dbraw/zinc/24/92/73/130249273.db2.gz VNTWEAGBXTYKSR-HOGKFDNTSA-N -1 1 490.606 5.945 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102713157 130259651 /nfs/dbraw/zinc/25/96/51/130259651.db2.gz FYGFMSYJLHFAEL-AYWGPLOBSA-N -1 1 456.498 5.653 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102720247 130266219 /nfs/dbraw/zinc/26/62/19/130266219.db2.gz AGXJZRYJJXJERV-SBXHHDGASA-N -1 1 484.577 5.884 50 30 JKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102735435 130280071 /nfs/dbraw/zinc/28/00/71/130280071.db2.gz GPJGTWMOIIVBCG-IUOUCKIRSA-N -1 1 474.582 5.390 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102771177 130295854 /nfs/dbraw/zinc/29/58/54/130295854.db2.gz AOHABQPCTVVWBB-BBHOXHGRSA-N -1 1 498.560 5.260 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102771180 130296179 /nfs/dbraw/zinc/29/61/79/130296179.db2.gz AOHABQPCTVVWBB-WRPQUVRJSA-N -1 1 498.560 5.260 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)nc2c(C)c1 ZINC000102771498 130296662 /nfs/dbraw/zinc/29/66/62/130296662.db2.gz QYCZYEHRMLCEJE-YVMOQHDASA-N -1 1 497.576 5.258 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000102771540 130296715 /nfs/dbraw/zinc/29/67/15/130296715.db2.gz WDXQDGJEOQSLJQ-SJKYFALESA-N -1 1 488.590 5.616 50 30 JKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102798586 130307097 /nfs/dbraw/zinc/30/70/97/130307097.db2.gz HRBQICAHYBYXIE-GHNGSUTGSA-N -1 1 496.610 5.223 50 30 JKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102798586 130307101 /nfs/dbraw/zinc/30/71/01/130307101.db2.gz HRBQICAHYBYXIE-GHNGSUTGSA-N -1 1 496.610 5.223 50 30 JKEAMM COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102798611 130307117 /nfs/dbraw/zinc/30/71/17/130307117.db2.gz WGFSUQSBHIPQBI-LFVOPCPISA-N -1 1 496.541 5.140 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102799214 130307564 /nfs/dbraw/zinc/30/75/64/130307564.db2.gz BRWSFDBRXDKDSK-JBCNATCCSA-N -1 1 462.571 5.466 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000102801218 130309993 /nfs/dbraw/zinc/30/99/93/130309993.db2.gz ZDRXOTLGYBQQEE-IBOXJLQUSA-N -1 1 475.751 5.185 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000102801221 130310129 /nfs/dbraw/zinc/31/01/29/130310129.db2.gz ZDRXOTLGYBQQEE-UYTDBDHRSA-N -1 1 475.751 5.185 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Br)c2)c(OC)c1 ZINC000102800908 130310193 /nfs/dbraw/zinc/31/01/93/130310193.db2.gz ZZHKMYBCHBSLIY-MOBKVPTQSA-N -1 1 494.341 5.093 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Br)c2)cc1OC ZINC000102801565 130310735 /nfs/dbraw/zinc/31/07/35/130310735.db2.gz SLXXTHBRJAAAAP-HOGKFDNTSA-N -1 1 494.341 5.093 50 30 JKEAMM 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JKEAMM COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102857938 130327769 /nfs/dbraw/zinc/32/77/69/130327769.db2.gz FWGWPZZCORAQPU-YDJIHCHBSA-N -1 1 478.551 5.001 50 30 JKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102858258 130328234 /nfs/dbraw/zinc/32/82/34/130328234.db2.gz UBDYHZYJZMDNLY-HFEWCJDKSA-N -1 1 492.959 6.332 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102858258 130328237 /nfs/dbraw/zinc/32/82/37/130328237.db2.gz UBDYHZYJZMDNLY-HFEWCJDKSA-N -1 1 492.959 6.332 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000102858066 130328282 /nfs/dbraw/zinc/32/82/82/130328282.db2.gz PIXUHPFZCVWREP-IAMBOQNYSA-N -1 1 474.969 6.193 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3F)sc2c1 ZINC000102858475 130328794 /nfs/dbraw/zinc/32/87/94/130328794.db2.gz MTXKAZYYSNNJCW-JBCNATCCSA-N -1 1 478.476 5.209 50 30 JKEAMM 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O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102884052 130365175 /nfs/dbraw/zinc/36/51/75/130365175.db2.gz BPXADXLTHQLEJM-YDJIHCHBSA-N -1 1 475.825 6.124 50 30 JKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884269 130365565 /nfs/dbraw/zinc/36/55/65/130365565.db2.gz NLAWSVOVSWVEDD-AYWGPLOBSA-N -1 1 486.549 5.248 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102886040 130366777 /nfs/dbraw/zinc/36/67/77/130366777.db2.gz YHPKTFRQCRIXDQ-IUKMQXEJSA-N -1 1 498.604 6.192 50 30 JKEAMM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000102889533 130371115 /nfs/dbraw/zinc/37/11/15/130371115.db2.gz FJCBWDNZDQYFGJ-NHFXJNLRSA-N -1 1 468.734 5.729 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102889533 130371120 /nfs/dbraw/zinc/37/11/20/130371120.db2.gz FJCBWDNZDQYFGJ-NHFXJNLRSA-N -1 1 468.734 5.729 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102893901 130376071 /nfs/dbraw/zinc/37/60/71/130376071.db2.gz LEHOBDZFTHHAGM-NXLSWJSLSA-N -1 1 474.557 5.696 50 30 JKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Cl)c1 ZINC000102925405 130395992 /nfs/dbraw/zinc/39/59/92/130395992.db2.gz XZLBNDICJRUMKA-GHNGSUTGSA-N -1 1 454.866 5.308 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3F)sc2c1 ZINC000102926498 130398057 /nfs/dbraw/zinc/39/80/57/130398057.db2.gz NMZUKRMPZLBNLE-JBCNATCCSA-N -1 1 494.931 5.724 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102926500 130398148 /nfs/dbraw/zinc/39/81/48/130398148.db2.gz NMZUKRMPZLBNLE-MRJHHRETSA-N -1 1 494.931 5.724 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102933376 130415484 /nfs/dbraw/zinc/41/54/84/130415484.db2.gz NAJWDYRWYFECCW-MRJHHRETSA-N -1 1 478.932 6.024 50 30 JKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009014873 518342727 /nfs/dbraw/zinc/34/27/27/518342727.db2.gz HJNQGBJJINYZNF-QFIPXVFZSA-N -1 1 476.872 5.234 50 30 JKEAMM C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN[C@H](CCSC)C(=O)[O-] ZINC000008763197 518664873 /nfs/dbraw/zinc/66/48/73/518664873.db2.gz LVEZIJYFNHXBKG-IJNXWWQASA-N -1 1 491.694 5.460 50 30 biogenic JKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000009313023 519043921 /nfs/dbraw/zinc/04/39/21/519043921.db2.gz MPPTUHBVWITWKG-RUZDIDTESA-N -1 1 466.493 5.484 50 30 JKEAMM C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1C(F)(F)F)C1=C(CC(C)(C)CC1=O)N2 ZINC000016345533 519080453 /nfs/dbraw/zinc/08/04/53/519080453.db2.gz BMAJIWHHYGWCMB-INIZCTEOSA-N -1 1 461.509 5.267 50 30 JKEAMM C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)N2 ZINC000016346245 519080748 /nfs/dbraw/zinc/08/07/48/519080748.db2.gz XCLFRLMOSBRLLD-JOCHJYFZSA-N -1 1 471.582 5.192 50 30 JKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000009109829 519720730 /nfs/dbraw/zinc/72/07/30/519720730.db2.gz PRZCJKRLHUZIRD-JOCHJYFZSA-N -1 1 464.880 5.220 50 30 JKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000009271545 519840195 /nfs/dbraw/zinc/84/01/95/519840195.db2.gz WAOSIAWYEIZFFN-IBGZPJMESA-N -1 1 483.387 5.812 50 30 JKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009271545 519840196 /nfs/dbraw/zinc/84/01/96/519840196.db2.gz WAOSIAWYEIZFFN-IBGZPJMESA-N -1 1 483.387 5.812 50 30 JKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009243487 519840198 /nfs/dbraw/zinc/84/01/98/519840198.db2.gz AINARQNJEZXNIP-QRQCRPRQSA-N -1 1 460.555 5.373 50 30 JKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009042772 519840255 /nfs/dbraw/zinc/84/02/55/519840255.db2.gz PSOOZGXZICDQBG-NRFANRHFSA-N -1 1 462.502 5.935 50 30 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COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)o2)c1 ZINC000008996628 554857721 /nfs/dbraw/zinc/85/77/21/554857721.db2.gz ZSNMPRPBVDIQJR-NRFANRHFSA-N -1 1 460.511 5.298 50 30 JKEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000008996904 554858228 /nfs/dbraw/zinc/85/82/28/554858228.db2.gz FPGVIAFICJURJO-OAQYLSRUSA-N -1 1 481.346 5.652 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000008996904 554858232 /nfs/dbraw/zinc/85/82/32/554858232.db2.gz FPGVIAFICJURJO-OAQYLSRUSA-N -1 1 481.346 5.652 50 30 JKEAMM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000009007532 554860550 /nfs/dbraw/zinc/86/05/50/554860550.db2.gz BCRXAFKPFIYIHG-IBGZPJMESA-N -1 1 497.414 5.986 50 30 JKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009007532 554860552 /nfs/dbraw/zinc/86/05/52/554860552.db2.gz BCRXAFKPFIYIHG-IBGZPJMESA-N -1 1 497.414 5.986 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000009007539 554860647 /nfs/dbraw/zinc/86/06/47/554860647.db2.gz OARUHYCSIWXUBA-OAQYLSRUSA-N -1 1 460.942 6.041 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000009007540 554860678 /nfs/dbraw/zinc/86/06/78/554860678.db2.gz OARUHYCSIWXUBA-NRFANRHFSA-N -1 1 460.942 6.041 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009007830 554861154 /nfs/dbraw/zinc/86/11/54/554861154.db2.gz SGXASFLAEMHQRY-JOCHJYFZSA-N -1 1 474.513 5.535 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009007868 554861610 /nfs/dbraw/zinc/86/16/10/554861610.db2.gz CQRCMEXGGVGVTJ-QFIPXVFZSA-N -1 1 490.968 6.050 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000009008186 554862550 /nfs/dbraw/zinc/86/25/50/554862550.db2.gz BZUFZNADJZYULW-IBGZPJMESA-N -1 1 495.354 5.743 50 30 JKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009270373 555044529 /nfs/dbraw/zinc/04/45/29/555044529.db2.gz RRWPYGGXERCUTL-QHCPKHFHSA-N -1 1 472.541 6.144 50 30 JKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009324669 555097343 /nfs/dbraw/zinc/09/73/43/555097343.db2.gz YRPJLPAOBXMXFF-BLVKFPJESA-N -1 1 497.370 5.012 50 30 JKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000009373897 555135701 /nfs/dbraw/zinc/13/57/01/555135701.db2.gz NXCMJPMEQWCTLR-QHCPKHFHSA-N -1 1 463.917 5.449 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000009601048 555425055 /nfs/dbraw/zinc/42/50/55/555425055.db2.gz NFLMQODOAPAYKN-HXUWFJFHSA-N -1 1 464.905 5.872 50 30 JKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009608844 555436614 /nfs/dbraw/zinc/43/66/14/555436614.db2.gz JKMWVFKBEFYAGG-JOCHJYFZSA-N -1 1 487.625 5.580 50 30 JKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4cccc(F)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009608798 555436702 /nfs/dbraw/zinc/43/67/02/555436702.db2.gz IINUIWHBVRFKBN-OAQYLSRUSA-N -1 1 491.588 5.411 50 30 JKEAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000009608888 555437166 /nfs/dbraw/zinc/43/71/66/555437166.db2.gz IQSJNWOXFPZCBT-OAQYLSRUSA-N -1 1 475.589 5.710 50 30 JKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000013551468 555492088 /nfs/dbraw/zinc/49/20/88/555492088.db2.gz RUUQNKVGEZVQKY-IBGZPJMESA-N -1 1 480.542 5.046 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000013553020 555493173 /nfs/dbraw/zinc/49/31/73/555493173.db2.gz WXTQMLBTFKMODH-OAQYLSRUSA-N -1 1 452.894 5.208 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000013570195 555508293 /nfs/dbraw/zinc/50/82/93/555508293.db2.gz CXBNXTDHZAYIHO-QHCPKHFHSA-N -1 1 470.550 5.650 50 30 JKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013570617 555508874 /nfs/dbraw/zinc/50/88/74/555508874.db2.gz ILYSRJBLCJGTFH-HSZRJFAPSA-N -1 1 486.549 5.799 50 30 JKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013570617 555508876 /nfs/dbraw/zinc/50/88/76/555508876.db2.gz ILYSRJBLCJGTFH-HSZRJFAPSA-N -1 1 486.549 5.799 50 30 JKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccs2)c1 ZINC000013570691 555509153 /nfs/dbraw/zinc/50/91/53/555509153.db2.gz QSPGSSOYGRWJRI-NRFANRHFSA-N -1 1 476.579 5.766 50 30 JKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)c1 ZINC000013571160 555509647 /nfs/dbraw/zinc/50/96/47/555509647.db2.gz LGZYJYAESPCYRK-HSZRJFAPSA-N -1 1 486.549 5.405 50 30 JKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000019925502 555540847 /nfs/dbraw/zinc/54/08/47/555540847.db2.gz DUOLSYBZCGAJGA-QFIPXVFZSA-N -1 1 496.947 5.426 50 30 JKEAMM Cc1ccc([N-]S(=O)(=O)c2ccc(N=NC3C4CC5CC(C4)CC3C5)c([N+](=O)[O-])c2)c(C)c1 ZINC000014358588 555797630 /nfs/dbraw/zinc/79/76/30/555797630.db2.gz FWTAGNJQQGMZFU-UHFFFAOYSA-N -1 1 468.579 5.236 50 30 JKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000016729425 556154877 /nfs/dbraw/zinc/15/48/77/556154877.db2.gz LOTRQSFQXJTMDT-QFIPXVFZSA-N -1 1 493.585 5.207 50 30 JKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000016729552 556155236 /nfs/dbraw/zinc/15/52/36/556155236.db2.gz JHAAJAUIGKBGEX-JOCHJYFZSA-N -1 1 477.586 5.371 50 30 JKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000016729552 556155241 /nfs/dbraw/zinc/15/52/41/556155241.db2.gz JHAAJAUIGKBGEX-JOCHJYFZSA-N -1 1 477.586 5.371 50 30 JKEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016956754 556187682 /nfs/dbraw/zinc/18/76/82/556187682.db2.gz BXIZWWAZIJBOLW-OAQYLSRUSA-N -1 1 466.306 5.680 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016956754 556187684 /nfs/dbraw/zinc/18/76/84/556187684.db2.gz BXIZWWAZIJBOLW-OAQYLSRUSA-N -1 1 466.306 5.680 50 30 JKEAMM Cc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)cc(Br)c2[O-])cc1 ZINC000016977712 556194816 /nfs/dbraw/zinc/19/48/16/556194816.db2.gz XMZOCJBWSVTTFN-UFWORHAWSA-N -1 1 468.174 5.029 50 30 JKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017041222 556208097 /nfs/dbraw/zinc/20/80/97/556208097.db2.gz WPPMFLDMCOCNRM-NRFANRHFSA-N -1 1 475.589 6.123 50 30 JKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc(C)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000017041757 556208464 /nfs/dbraw/zinc/20/84/64/556208464.db2.gz PIABEIUZOKXXHA-OAQYLSRUSA-N -1 1 461.587 5.473 50 30 JKEAMM CC(C)c1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017113631 556218644 /nfs/dbraw/zinc/21/86/44/556218644.db2.gz MWHHWEMENGIVRP-QFIPXVFZSA-N -1 1 457.599 6.162 50 30 JKEAMM C=CCn1c(-c2sc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)nc2C)n[n-]c1=S ZINC000025515417 556218805 /nfs/dbraw/zinc/21/88/05/556218805.db2.gz QTIBADUFUDGTLZ-UHFFFAOYSA-N -1 1 471.539 5.122 50 30 JKEAMM N#Cc1c(N)nc(SCC(=O)c2ccc(C3CCCCC3)cc2)c(C#N)c1-c1ccc([O-])cc1 ZINC000013027723 556221104 /nfs/dbraw/zinc/22/11/04/556221104.db2.gz JNKIYPINPAEYQW-UHFFFAOYSA-N -1 1 468.582 5.802 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000017147504 556226652 /nfs/dbraw/zinc/22/66/52/556226652.db2.gz VEQWQXXTDQTEHN-OAQYLSRUSA-N -1 1 455.407 5.936 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(F)cc2)cc1 ZINC000017147506 556226770 /nfs/dbraw/zinc/22/67/70/556226770.db2.gz VEQWQXXTDQTEHN-NRFANRHFSA-N -1 1 455.407 5.936 50 30 JKEAMM O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c(=O)[n-]c(SCc3ccc([N+](=O)[O-])cc3)nc1N2 ZINC000017155935 556228762 /nfs/dbraw/zinc/22/87/62/556228762.db2.gz GEMZEKRBCDJGAL-LJQANCHMSA-N -1 1 478.505 5.086 50 30 JKEAMM C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017173019 556231639 /nfs/dbraw/zinc/23/16/39/556231639.db2.gz GLPXUQPDTISTAI-HSZRJFAPSA-N -1 1 499.636 5.828 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@@H]2c1cccc(F)c1 ZINC000017242374 556243075 /nfs/dbraw/zinc/24/30/75/556243075.db2.gz BEBQPLQYRPYWIV-HXUWFJFHSA-N -1 1 461.562 5.814 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1ccc(F)cc1 ZINC000017242442 556243124 /nfs/dbraw/zinc/24/31/24/556243124.db2.gz HYGMWTLZNRWNEQ-HXUWFJFHSA-N -1 1 479.552 5.953 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1cccc(O)c1 ZINC000017242495 556243626 /nfs/dbraw/zinc/24/36/26/556243626.db2.gz IDQMCZZFWQVOJR-HXUWFJFHSA-N -1 1 477.561 5.520 50 30 JKEAMM CCOc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017307579 556255167 /nfs/dbraw/zinc/25/51/67/556255167.db2.gz RHUAZONFPBEAGQ-OAQYLSRUSA-N -1 1 494.016 6.091 50 30 JKEAMM Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Cl)cc4s3)[C@H]2c2cccs2)s1 ZINC000018030243 556277950 /nfs/dbraw/zinc/27/79/50/556277950.db2.gz YSGDJOUTLOZHEP-INIZCTEOSA-N -1 1 488.015 5.867 50 30 JKEAMM C=CCc1ccccc1OCCOc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000027527897 556289733 /nfs/dbraw/zinc/28/97/33/556289733.db2.gz NDBHGWZYGVERFC-UYRXBGFRSA-N -1 1 461.992 5.864 50 30 JKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000027551435 556296533 /nfs/dbraw/zinc/29/65/33/556296533.db2.gz KAMFTODODGMAFU-HSZRJFAPSA-N -1 1 453.510 5.172 50 30 JKEAMM CCCCCCCCCCCC(=O)c1c([O-])cc(O)c(C(=O)CCCCCCCCCCC)c1O ZINC000044417494 563172670 /nfs/dbraw/zinc/17/26/70/563172670.db2.gz AIKYCZDMJFKXLS-UHFFFAOYSA-N -1 1 490.725 9.011 50 30 in-vivo JKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nccs2)cc1OCC ZINC000008384145 569589211 /nfs/dbraw/zinc/58/92/11/569589211.db2.gz ABSAKQXAWVHSFT-NRFANRHFSA-N -1 1 482.533 5.253 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(OCCC(C)C)c2)o1 ZINC000008384306 569589386 /nfs/dbraw/zinc/58/93/86/569589386.db2.gz ZXTUTZGGPZSWFI-FQEVSTJZSA-N -1 1 452.532 5.252 50 30 JKEAMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007976 569615820 /nfs/dbraw/zinc/61/58/20/569615820.db2.gz YEPDVPPHCJNUBU-UHFFFAOYSA-N -1 1 453.545 5.050 50 30 JKEAMM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072923 569750225 /nfs/dbraw/zinc/75/02/25/569750225.db2.gz ZWDQQHSQMDFMIM-UHFFFAOYSA-N -1 1 466.172 5.427 50 30 JKEAMM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(occ(-c5ccc(OC)cc5)c4=O)c32)cc1 ZINC000096113901 569733120 /nfs/dbraw/zinc/73/31/20/569733120.db2.gz CHOUXDRWIWXNIN-OAQYLSRUSA-N -1 1 484.504 5.570 50 30 biogenic JKEAMM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)cc5)coc-4c32)cc1 ZINC000096113901 569733121 /nfs/dbraw/zinc/73/31/21/569733121.db2.gz CHOUXDRWIWXNIN-OAQYLSRUSA-N -1 1 484.504 5.570 50 30 biogenic JKEAMM C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096115180 569734251 /nfs/dbraw/zinc/73/42/51/569734251.db2.gz TXPVVWXKDCBTMK-LJQANCHMSA-N -1 1 470.477 5.267 50 30 biogenic JKEAMM C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096115180 569734252 /nfs/dbraw/zinc/73/42/52/569734252.db2.gz TXPVVWXKDCBTMK-LJQANCHMSA-N -1 1 470.477 5.267 50 30 biogenic JKEAMM C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096115179 569734261 /nfs/dbraw/zinc/73/42/61/569734261.db2.gz TXPVVWXKDCBTMK-IBGZPJMESA-N -1 1 470.477 5.267 50 30 biogenic JKEAMM C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096115179 569734263 /nfs/dbraw/zinc/73/42/63/569734263.db2.gz TXPVVWXKDCBTMK-IBGZPJMESA-N -1 1 470.477 5.267 50 30 biogenic JKEAMM CCCCCCCN1C(=O)N(c2ccccc2C)[C@H](N([O-])C(=O)Nc2ccccc2C)C1(C)C ZINC000097949465 569746912 /nfs/dbraw/zinc/74/69/12/569746912.db2.gz DEEKXAGPYHXNPA-XMMPIXPASA-N -1 1 466.626 6.544 50 30 JKEAMM CCCCCCCCN1C(=O)N(c2ccccc2)[C@@H](N([O-])C(=O)Nc2ccccc2)C1(C)C ZINC000097949716 569746925 /nfs/dbraw/zinc/74/69/25/569746925.db2.gz CLOAIKGNVOEWQQ-QHCPKHFHSA-N -1 1 452.599 6.317 50 30 JKEAMM CCCCCCCCN1C(=O)N(c2cccc(C)c2)[C@H](N([O-])C(=O)Nc2cccc(C)c2)C1(C)C ZINC000097949696 569746940 /nfs/dbraw/zinc/74/69/40/569746940.db2.gz XPYXKNXAGIVXBF-RUZDIDTESA-N -1 1 480.653 6.934 50 30 JKEAMM CCCCCCCCN1C(=O)N(c2ccc(C)cc2)[C@H](N([O-])C(=O)Nc2ccc(C)cc2)C1(C)C ZINC000097951539 569747429 /nfs/dbraw/zinc/74/74/29/569747429.db2.gz TWTSTJKYKYGKGJ-RUZDIDTESA-N -1 1 480.653 6.934 50 30 JKEAMM Cc1cc(Br)c([O-])c(/C=N/c2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1 ZINC000100025147 569751348 /nfs/dbraw/zinc/75/13/48/569751348.db2.gz WXCHIPCOMDMZHR-MFKUBSTISA-N -1 1 484.419 5.238 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000100211841 569755567 /nfs/dbraw/zinc/75/55/67/569755567.db2.gz XCCHPQGUKAWWKC-MOBKVPTQSA-N -1 1 479.891 5.282 50 30 JKEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O ZINC000100297589 569756909 /nfs/dbraw/zinc/75/69/09/569756909.db2.gz VPNTVQAEQLHUDA-MRJHHRETSA-N -1 1 469.415 5.046 50 30 JKEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O ZINC000100297589 569756910 /nfs/dbraw/zinc/75/69/10/569756910.db2.gz VPNTVQAEQLHUDA-MRJHHRETSA-N -1 1 469.415 5.046 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100340513 569757683 /nfs/dbraw/zinc/75/76/83/569757683.db2.gz OSIYDTQDKJWRJE-MRJHHRETSA-N -1 1 487.861 5.994 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000100439671 569761200 /nfs/dbraw/zinc/76/12/00/569761200.db2.gz QDOLEKHYRPPHEC-NHFXJNLRSA-N -1 1 468.387 5.240 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000100439675 569761212 /nfs/dbraw/zinc/76/12/12/569761212.db2.gz QDOLEKHYRPPHEC-YDJIHCHBSA-N -1 1 468.387 5.240 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000100439665 569761281 /nfs/dbraw/zinc/76/12/81/569761281.db2.gz WECMQEOCVFTQMT-YDJIHCHBSA-N -1 1 468.387 5.240 50 30 JKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000100455286 569761556 /nfs/dbraw/zinc/76/15/56/569761556.db2.gz YXHXUNJHUDXDCQ-AYWGPLOBSA-N -1 1 463.917 5.292 50 30 JKEAMM CCCCCCCCCCCCCCCCCC([O-])=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100741149 569768281 /nfs/dbraw/zinc/76/82/81/569768281.db2.gz GDIYHZZQTFJOHE-DQEYMECFSA-N -1 1 464.687 6.791 50 30 biogenic JKEAMM CCCCCCCCCCCCCCCCCC(=O)C1=C([O-])CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100741149 569768282 /nfs/dbraw/zinc/76/82/82/569768282.db2.gz GDIYHZZQTFJOHE-DQEYMECFSA-N -1 1 464.687 6.791 50 30 biogenic JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@H]2c1ccc(O)cc1 ZINC000100821648 569771312 /nfs/dbraw/zinc/77/13/12/569771312.db2.gz CGAJNMUGIVEWFW-FQEVSTJZSA-N -1 1 494.016 5.622 50 30 JKEAMM CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21 ZINC000100822985 569771591 /nfs/dbraw/zinc/77/15/91/569771591.db2.gz QAVSUYNFWLMFDB-UHFFFAOYSA-N -1 1 488.562 5.886 50 30 JKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2F)no1 ZINC000101062666 569780912 /nfs/dbraw/zinc/78/09/12/569780912.db2.gz QDKFIOPYQBVLMN-NHFXJNLRSA-N -1 1 499.336 5.500 50 30 JKEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069776 569781017 /nfs/dbraw/zinc/78/10/17/569781017.db2.gz SLLOSMSSMVYEGL-JBCNATCCSA-N -1 1 466.306 5.523 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069776 569781018 /nfs/dbraw/zinc/78/10/18/569781018.db2.gz SLLOSMSSMVYEGL-JBCNATCCSA-N -1 1 466.306 5.523 50 30 JKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069850 569781034 /nfs/dbraw/zinc/78/10/34/569781034.db2.gz VBTYQOUQDMLCHT-MRJHHRETSA-N -1 1 493.313 5.292 50 30 JKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069850 569781036 /nfs/dbraw/zinc/78/10/36/569781036.db2.gz VBTYQOUQDMLCHT-MRJHHRETSA-N -1 1 493.313 5.292 50 30 JKEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)sc1C ZINC000101069959 569781084 /nfs/dbraw/zinc/78/10/84/569781084.db2.gz GLXONAZVUFOAPZ-GHNGSUTGSA-N -1 1 469.360 5.149 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)sc1C ZINC000101069959 569781085 /nfs/dbraw/zinc/78/10/85/569781085.db2.gz GLXONAZVUFOAPZ-GHNGSUTGSA-N -1 1 469.360 5.149 50 30 JKEAMM O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069924 569781087 /nfs/dbraw/zinc/78/10/87/569781087.db2.gz FNVIYDZWTACQAL-YDJIHCHBSA-N -1 1 452.279 5.215 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069924 569781088 /nfs/dbraw/zinc/78/10/88/569781088.db2.gz FNVIYDZWTACQAL-YDJIHCHBSA-N -1 1 452.279 5.215 50 30 JKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000101069910 569781093 /nfs/dbraw/zinc/78/10/93/569781093.db2.gz MBRYCFZYXWCYQI-MRJHHRETSA-N -1 1 482.761 6.037 50 30 JKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000101069910 569781094 /nfs/dbraw/zinc/78/10/94/569781094.db2.gz MBRYCFZYXWCYQI-MRJHHRETSA-N -1 1 482.761 6.037 50 30 JKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1 ZINC000101072872 569781390 /nfs/dbraw/zinc/78/13/90/569781390.db2.gz LWCLAPKHAHUBBX-GHNGSUTGSA-N -1 1 499.317 5.417 50 30 JKEAMM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000101096626 569782420 /nfs/dbraw/zinc/78/24/20/569782420.db2.gz ABUZQSOHRNCQMM-NHFXJNLRSA-N -1 1 491.366 5.685 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccccc1)c1ccccc1 ZINC000101096626 569782421 /nfs/dbraw/zinc/78/24/21/569782421.db2.gz ABUZQSOHRNCQMM-NHFXJNLRSA-N -1 1 491.366 5.685 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)sc1C ZINC000101100213 569782690 /nfs/dbraw/zinc/78/26/90/569782690.db2.gz XYNAHMWAOQXKFU-SELCWUDQSA-N -1 1 487.350 5.288 50 30 JKEAMM O=C1C(=O)N(c2cccc(Br)c2)[C@H](c2ccccc2Cl)C1=C([O-])c1ccccc1 ZINC000101104143 569783068 /nfs/dbraw/zinc/78/30/68/569783068.db2.gz OQHGLWQUBJMHCQ-YDJIHCHBSA-N -1 1 468.734 5.729 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000101104143 569783069 /nfs/dbraw/zinc/78/30/69/569783069.db2.gz OQHGLWQUBJMHCQ-YDJIHCHBSA-N -1 1 468.734 5.729 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000101287295 569789525 /nfs/dbraw/zinc/78/95/25/569789525.db2.gz PMVOXODZPGFDFP-SBXHHDGASA-N -1 1 458.514 5.298 50 30 JKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101314033 569792501 /nfs/dbraw/zinc/79/25/01/569792501.db2.gz QXGYAGKMZMTBIU-ZHHPLPSFSA-N -1 1 486.549 5.643 50 30 JKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101314033 569792503 /nfs/dbraw/zinc/79/25/03/569792503.db2.gz QXGYAGKMZMTBIU-ZHHPLPSFSA-N -1 1 486.549 5.643 50 30 JKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101503813 569800975 /nfs/dbraw/zinc/80/09/75/569800975.db2.gz LPRWLSDBUZYOJF-HOGKFDNTSA-N -1 1 491.341 5.034 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102587839 569814446 /nfs/dbraw/zinc/81/44/46/569814446.db2.gz DGASSVXFEIXGLT-AYWGPLOBSA-N -1 1 463.917 5.374 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccco2)cc1C ZINC000102733348 569818466 /nfs/dbraw/zinc/81/84/66/569818466.db2.gz UNWBDBVTULTHIQ-MRJHHRETSA-N -1 1 460.511 5.141 50 30 JKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102856632 569824575 /nfs/dbraw/zinc/82/45/75/569824575.db2.gz GSLRLYVRLARILY-HOGKFDNTSA-N -1 1 466.921 5.442 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102856678 569824604 /nfs/dbraw/zinc/82/46/04/569824604.db2.gz KIRMDESYXJYTJF-WOOAAIBNSA-N -1 1 477.523 5.201 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(F)c3)sc2c1 ZINC000102863212 569825229 /nfs/dbraw/zinc/82/52/29/569825229.db2.gz IANOYSODGDSCSS-NHFXJNLRSA-N -1 1 480.542 5.522 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(F)c3)sc2c1 ZINC000102863212 569825230 /nfs/dbraw/zinc/82/52/30/569825230.db2.gz IANOYSODGDSCSS-NHFXJNLRSA-N -1 1 480.542 5.522 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102863482 569825442 /nfs/dbraw/zinc/82/54/42/569825442.db2.gz ACXMWYNIRKWABY-YDJIHCHBSA-N -1 1 480.542 5.522 50 30 JKEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102872949 569826052 /nfs/dbraw/zinc/82/60/52/569826052.db2.gz IKCWOGGIQCWCCL-YDJIHCHBSA-N -1 1 462.329 5.060 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102874563 569826227 /nfs/dbraw/zinc/82/62/27/569826227.db2.gz VKUXASXOVZAIPI-HOGKFDNTSA-N -1 1 490.968 5.975 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000102875939 569826336 /nfs/dbraw/zinc/82/63/36/569826336.db2.gz OEQNGQMLMXORDZ-GHNGSUTGSA-N -1 1 459.354 5.693 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2F)cc1 ZINC000102875828 569826363 /nfs/dbraw/zinc/82/63/63/569826363.db2.gz AHRJZTIJUXRHIO-JBCNATCCSA-N -1 1 462.477 5.509 50 30 JKEAMM O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccccc1 ZINC000102876176 569826582 /nfs/dbraw/zinc/82/65/82/569826582.db2.gz BYWUCYSUHLEXII-MOBKVPTQSA-N -1 1 454.507 5.562 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000102876176 569826583 /nfs/dbraw/zinc/82/65/83/569826583.db2.gz BYWUCYSUHLEXII-MOBKVPTQSA-N -1 1 454.507 5.562 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102928788 569827298 /nfs/dbraw/zinc/82/72/98/569827298.db2.gz JVEONSGGJLWZER-JBCNATCCSA-N -1 1 490.581 5.378 50 30 JKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102928630 569827470 /nfs/dbraw/zinc/82/74/70/569827470.db2.gz BQAVKORZZRATFJ-QOJBNDRUSA-N -1 1 464.543 5.740 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102928630 569827472 /nfs/dbraw/zinc/82/74/72/569827472.db2.gz BQAVKORZZRATFJ-QOJBNDRUSA-N -1 1 464.543 5.740 50 30 JKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102929487 569827839 /nfs/dbraw/zinc/82/78/39/569827839.db2.gz HDVMXDFUOQHPJW-MOBKVPTQSA-N -1 1 490.512 5.079 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102929487 569827841 /nfs/dbraw/zinc/82/78/41/569827841.db2.gz HDVMXDFUOQHPJW-MOBKVPTQSA-N -1 1 490.512 5.079 50 30 JKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102930144 569828071 /nfs/dbraw/zinc/82/80/71/569828071.db2.gz VIFQCDUVERJQKB-COUQNMRISA-N -1 1 498.560 5.326 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102931580 569828427 /nfs/dbraw/zinc/82/84/27/569828427.db2.gz KVTOQCYVRDYYEY-MRJHHRETSA-N -1 1 478.476 5.209 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102931231 569828437 /nfs/dbraw/zinc/82/84/37/569828437.db2.gz BUDHECPAZSDKEI-HOGKFDNTSA-N -1 1 493.357 5.259 50 30 JKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102931716 569828635 /nfs/dbraw/zinc/82/86/35/569828635.db2.gz YFMXUHMWRLITEH-NXLSWJSLSA-N -1 1 494.519 5.326 50 30 JKEAMM COc1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102932049 569828653 /nfs/dbraw/zinc/82/86/53/569828653.db2.gz OSPMYZGAUSOFCL-HFEWCJDKSA-N -1 1 490.537 5.150 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102932049 569828654 /nfs/dbraw/zinc/82/86/54/569828654.db2.gz OSPMYZGAUSOFCL-HFEWCJDKSA-N -1 1 490.537 5.150 50 30 JKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102932586 569828728 /nfs/dbraw/zinc/82/87/28/569828728.db2.gz LMZYFRNEVRGCGW-LFVOPCPISA-N -1 1 499.386 5.157 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102932586 569828730 /nfs/dbraw/zinc/82/87/30/569828730.db2.gz LMZYFRNEVRGCGW-LFVOPCPISA-N -1 1 499.386 5.157 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102932219 569828849 /nfs/dbraw/zinc/82/88/49/569828849.db2.gz BWBQAFRJLJEDDB-ZHHPLPSFSA-N -1 1 486.549 5.248 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102932372 569828873 /nfs/dbraw/zinc/82/88/73/569828873.db2.gz NJTMGDXJKBKZGX-MRJHHRETSA-N -1 1 489.484 5.278 50 30 JKEAMM [O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000041091624 569837582 /nfs/dbraw/zinc/83/75/82/569837582.db2.gz YKDQPWCVPKMABG-AUEPDCJTSA-N -1 1 459.752 6.541 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000104096774 569840902 /nfs/dbraw/zinc/84/09/02/569840902.db2.gz IPHUEZPCKZBAPG-NHFXJNLRSA-N -1 1 452.825 5.014 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000104115041 569841100 /nfs/dbraw/zinc/84/11/00/569841100.db2.gz BCIWBMITIVDPMM-LFVOPCPISA-N -1 1 469.722 5.124 50 30 JKEAMM Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccccc2F)cc1 ZINC000104121221 569841140 /nfs/dbraw/zinc/84/11/40/569841140.db2.gz RYDBNNQGEHXQEF-MRJHHRETSA-N -1 1 455.407 5.779 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccccc2F)cc1 ZINC000104121221 569841142 /nfs/dbraw/zinc/84/11/42/569841142.db2.gz RYDBNNQGEHXQEF-MRJHHRETSA-N -1 1 455.407 5.779 50 30 JKEAMM COC(=O)C[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000218226797 569883055 /nfs/dbraw/zinc/88/30/55/569883055.db2.gz KTAGXEHDXOANDO-SFHVURJKSA-N -1 1 464.558 5.525 50 30 JKEAMM Cc1ccc2oc(-c3ccc(N=Cc4cccc(I)c4)cc3[O-])nc2c1 ZINC000252588345 570083793 /nfs/dbraw/zinc/08/37/93/570083793.db2.gz AAUSJSQVCGLIOG-UHFFFAOYSA-N -1 1 454.267 5.864 50 30 JKEAMM Cc1ccc2nc(-c3ccc(N=Cc4ccc(-c5ccc(Br)cc5)o4)cc3[O-])oc2c1 ZINC000252609006 570085841 /nfs/dbraw/zinc/08/58/41/570085841.db2.gz HOZWJIDXTMQJOR-UHFFFAOYSA-N -1 1 473.326 7.282 50 30 JKEAMM COc1cc(C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(Br)c1[O-] ZINC000252613388 570086253 /nfs/dbraw/zinc/08/62/53/570086253.db2.gz JAOCGTRYFSZTTJ-UHFFFAOYSA-N -1 1 473.326 6.713 50 30 JKEAMM Cc1ccc2nc(-c3ccc(N=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)cc3[O-])oc2c1 ZINC000252627926 570088796 /nfs/dbraw/zinc/08/87/96/570088796.db2.gz SEDXNHMCBFGHSX-UHFFFAOYSA-N -1 1 463.320 7.826 50 30 JKEAMM Cc1ccc2nc(-c3cc(N=Cc4cc(C)cc(Br)c4[O-])ccc3Cl)oc2c1 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/nfs/dbraw/zinc/13/59/41/130135941.db2.gz XITLMJWMCNLEFB-OBVHCKHUSA-N -1 1 490.537 5.150 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102485457 130139591 /nfs/dbraw/zinc/13/95/91/130139591.db2.gz KYAYDOPDIVHTRA-MRJHHRETSA-N -1 1 462.477 5.509 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)o1 ZINC000102486764 130141241 /nfs/dbraw/zinc/14/12/41/130141241.db2.gz DEPNLMWYCZPRPN-MOBKVPTQSA-N -1 1 476.529 6.087 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)o1 ZINC000102486773 130141264 /nfs/dbraw/zinc/14/12/64/130141264.db2.gz DEPNLMWYCZPRPN-HOGKFDNTSA-N -1 1 476.529 6.087 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1 ZINC000102490086 130143916 /nfs/dbraw/zinc/14/39/16/130143916.db2.gz YAAAJCVYGKUIJT-AYWGPLOBSA-N -1 1 470.550 5.630 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2Cl)cc1 ZINC000102492333 130146564 /nfs/dbraw/zinc/14/65/64/130146564.db2.gz UYVZLTUJEGEYBB-MRJHHRETSA-N -1 1 460.942 5.884 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2Cl)cc1 ZINC000102492347 130146635 /nfs/dbraw/zinc/14/66/35/130146635.db2.gz UYVZLTUJEGEYBB-JBCNATCCSA-N -1 1 460.942 5.884 50 30 JKEAMM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102497731 130151665 /nfs/dbraw/zinc/15/16/65/130151665.db2.gz QFVRXJWLZSUWAF-HOGKFDNTSA-N -1 1 490.512 5.079 50 30 JKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102497731 130151669 /nfs/dbraw/zinc/15/16/69/130151669.db2.gz QFVRXJWLZSUWAF-HOGKFDNTSA-N -1 1 490.512 5.079 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102501454 130155542 /nfs/dbraw/zinc/15/55/42/130155542.db2.gz NFELDCVZQIEDJD-JBCNATCCSA-N -1 1 478.476 5.209 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102504471 130158620 /nfs/dbraw/zinc/15/86/20/130158620.db2.gz JMTRQTXSYVRPGQ-HOGKFDNTSA-N -1 1 485.521 5.448 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102508163 130162580 /nfs/dbraw/zinc/16/25/80/130162580.db2.gz LREIKPQMWGBXQI-NXLSWJSLSA-N -1 1 486.568 6.494 50 30 JKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102509513 130163318 /nfs/dbraw/zinc/16/33/18/130163318.db2.gz JZRMJIDXWHWRGC-COUQNMRISA-N -1 1 488.540 5.687 50 30 JKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102509932 130164002 /nfs/dbraw/zinc/16/40/02/130164002.db2.gz KZKKAQWAZXOGCZ-HOGKFDNTSA-N -1 1 474.969 6.193 50 30 JKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102511712 130165340 /nfs/dbraw/zinc/16/53/40/130165340.db2.gz OBROSMIJFOHDKL-AYWGPLOBSA-N -1 1 488.540 5.769 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102511712 130165344 /nfs/dbraw/zinc/16/53/44/130165344.db2.gz OBROSMIJFOHDKL-AYWGPLOBSA-N -1 1 488.540 5.769 50 30 JKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Cl)cc1 ZINC000102513375 130167338 /nfs/dbraw/zinc/16/73/38/130167338.db2.gz QGPZGHAFCJGCGE-GHNGSUTGSA-N -1 1 470.934 5.777 50 30 JKEAMM CCCCCCCCCn1c([O-])c(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21 ZINC000102514605 130168247 /nfs/dbraw/zinc/16/82/47/130168247.db2.gz YTLJXXCJQTUHKH-UHFFFAOYSA-N -1 1 485.422 6.473 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)o1 ZINC000102515409 130168672 /nfs/dbraw/zinc/16/86/72/130168672.db2.gz DWDLLROLBCRAQP-HFEWCJDKSA-N -1 1 458.539 5.749 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102519369 130172338 /nfs/dbraw/zinc/17/23/38/130172338.db2.gz ALGQIIYHDWOYSK-NHFXJNLRSA-N -1 1 496.541 5.140 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102519363 130172418 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554509149 /nfs/dbraw/zinc/50/91/49/554509149.db2.gz DTBJOKMPLGEHEC-HSZRJFAPSA-N -1 1 499.636 5.828 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000006445664 554539900 /nfs/dbraw/zinc/53/99/00/554539900.db2.gz PHWPZHFHTVPQBC-FQEVSTJZSA-N -1 1 452.825 5.170 50 30 JKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000006473995 554543856 /nfs/dbraw/zinc/54/38/56/554543856.db2.gz YQDKGDBGLROBBO-WRONEBCDSA-N -1 1 484.527 5.591 50 30 JKEAMM C/C(=N/[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)Nc1ccccc1S2 ZINC000008456206 554600277 /nfs/dbraw/zinc/60/02/77/554600277.db2.gz PDUWHLMBDLERNC-MSXFZWOLSA-N -1 1 464.399 5.904 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008738656 554640313 /nfs/dbraw/zinc/64/03/13/554640313.db2.gz SOPAJFCEGPUXHE-OAQYLSRUSA-N -1 1 476.579 5.712 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008741083 554643603 /nfs/dbraw/zinc/64/36/03/554643603.db2.gz NGYRPAMFBRKLDS-FQEVSTJZSA-N -1 1 464.930 5.888 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000008743007 554645602 /nfs/dbraw/zinc/64/56/02/554645602.db2.gz QJHFRTPBLGPDDI-QFIPXVFZSA-N -1 1 491.613 5.714 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000008743523 554646232 /nfs/dbraw/zinc/64/62/32/554646232.db2.gz WWMFGKMTHKXICA-NRFANRHFSA-N -1 1 487.339 5.860 50 30 JKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008744049 554646964 /nfs/dbraw/zinc/64/69/64/554646964.db2.gz LNJFLFJRPFAYPT-QHCPKHFHSA-N -1 1 488.565 5.942 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008744049 554646968 /nfs/dbraw/zinc/64/69/68/554646968.db2.gz LNJFLFJRPFAYPT-QHCPKHFHSA-N -1 1 488.565 5.942 50 30 JKEAMM C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN[C@H](CCSC)C(=O)[O-] ZINC000008763196 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Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000008845807 554744018 /nfs/dbraw/zinc/74/40/18/554744018.db2.gz IBXFYBIMHUEDCZ-PEBXRYMYSA-N -1 1 489.597 5.250 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000008846461 554744913 /nfs/dbraw/zinc/74/49/13/554744913.db2.gz FXDNKLHIETWYKC-HSZRJFAPSA-N -1 1 492.369 5.939 50 30 JKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1Br ZINC000008846432 554744941 /nfs/dbraw/zinc/74/49/41/554744941.db2.gz AZJVCTMBIYLVPF-FQEVSTJZSA-N -1 1 483.749 5.589 50 30 JKEAMM O=C([O-])COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000008846445 554744959 /nfs/dbraw/zinc/74/49/59/554744959.db2.gz SPHARBYMFNPXRW-QFIPXVFZSA-N -1 1 498.318 5.240 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008857931 554754590 /nfs/dbraw/zinc/75/45/90/554754590.db2.gz VEICUIFIDYEJMS-JOCHJYFZSA-N -1 1 493.357 5.416 50 30 JKEAMM 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CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894323 554783342 /nfs/dbraw/zinc/78/33/42/554783342.db2.gz OOMIDMCECYYQMF-QHCPKHFHSA-N -1 1 488.565 6.023 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008894270 554783409 /nfs/dbraw/zinc/78/34/09/554783409.db2.gz FBELEYZOCDXYRV-HSZRJFAPSA-N -1 1 486.593 6.532 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008894357 554783438 /nfs/dbraw/zinc/78/34/38/554783438.db2.gz QEBHRPUMGBCMJQ-QFIPXVFZSA-N -1 1 492.959 6.434 50 30 JKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008896133 554785617 /nfs/dbraw/zinc/78/56/17/554785617.db2.gz QZWQUKXAAVRZSE-QFIPXVFZSA-N -1 1 482.920 5.217 50 30 JKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008896128 554785665 /nfs/dbraw/zinc/78/56/65/554785665.db2.gz QZWQUKXAAVRZSE-JOCHJYFZSA-N -1 1 482.920 5.217 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008896096 554785671 /nfs/dbraw/zinc/78/56/71/554785671.db2.gz RWEJZPWAXXADQP-OAQYLSRUSA-N -1 1 452.894 5.208 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008896099 554785687 /nfs/dbraw/zinc/78/56/87/554785687.db2.gz RWEJZPWAXXADQP-NRFANRHFSA-N -1 1 452.894 5.208 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008896784 554786828 /nfs/dbraw/zinc/78/68/28/554786828.db2.gz QAIOZDRVUDHSNB-HSZRJFAPSA-N -1 1 488.540 5.789 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008896784 554786831 /nfs/dbraw/zinc/78/68/31/554786831.db2.gz QAIOZDRVUDHSNB-HSZRJFAPSA-N -1 1 488.540 5.789 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000008899237 554790024 /nfs/dbraw/zinc/79/00/24/554790024.db2.gz LRGHQUFYFVMDFU-JOCHJYFZSA-N -1 1 485.521 5.604 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008899916 554791514 /nfs/dbraw/zinc/79/15/14/554791514.db2.gz JQZXCEAZVGFHDF-OAQYLSRUSA-N -1 1 476.579 5.848 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000008902821 554796810 /nfs/dbraw/zinc/79/68/10/554796810.db2.gz MGCNWBZEQCPIGW-NRFANRHFSA-N -1 1 476.579 5.766 50 30 JKEAMM COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000008904029 554798246 /nfs/dbraw/zinc/79/82/46/554798246.db2.gz DDMABNGZDFELKT-QFIPXVFZSA-N -1 1 490.512 5.236 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000008904029 554798249 /nfs/dbraw/zinc/79/82/49/554798249.db2.gz DDMABNGZDFELKT-QFIPXVFZSA-N -1 1 490.512 5.236 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008914063 554807072 /nfs/dbraw/zinc/80/70/72/554807072.db2.gz UNJGSMILMNEHHS-JOCHJYFZSA-N -1 1 492.959 6.434 50 30 JKEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008915069 554808213 /nfs/dbraw/zinc/80/82/13/554808213.db2.gz SHQDPOKPGIIXQD-NRFANRHFSA-N -1 1 495.373 5.826 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008915069 554808215 /nfs/dbraw/zinc/80/82/15/554808215.db2.gz SHQDPOKPGIIXQD-NRFANRHFSA-N -1 1 495.373 5.826 50 30 JKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000008919034 554816070 /nfs/dbraw/zinc/81/60/70/554816070.db2.gz KIGGKSHIOUWTOX-LJQANCHMSA-N -1 1 454.935 5.205 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000008919034 554816072 /nfs/dbraw/zinc/81/60/72/554816072.db2.gz KIGGKSHIOUWTOX-LJQANCHMSA-N -1 1 454.935 5.205 50 30 JKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008920651 554817421 /nfs/dbraw/zinc/81/74/21/554817421.db2.gz YHPJXIKAEWSTOV-QFIPXVFZSA-N -1 1 476.598 6.011 50 30 JKEAMM 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JKEAMM CC1(C)SC(=S)N(/N=C/c2cccs2)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008951413 554834235 /nfs/dbraw/zinc/83/42/35/554834235.db2.gz HTGBNFHOWQOWDW-UMXKZIAQSA-N -1 1 475.448 5.751 50 30 JKEAMM Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008951405 554834255 /nfs/dbraw/zinc/83/42/55/554834255.db2.gz HTVVOSVFRGMNQE-TVSCDJBNSA-N -1 1 483.446 5.997 50 30 JKEAMM CN(C)c1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N([O-])C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000008951416 554834272 /nfs/dbraw/zinc/83/42/72/554834272.db2.gz VLBYFCRUNOPIOJ-XNQWGTPPSA-N -1 1 478.043 5.102 50 30 JKEAMM CN(C)c1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2cccc(Cl)c2)cc1 ZINC000008951434 554834460 /nfs/dbraw/zinc/83/44/60/554834460.db2.gz MXLPXZMYCXVVDI-ZMPUUUETSA-N -1 1 478.043 5.102 50 30 JKEAMM CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2cccc(Cl)c2)cc1 ZINC000008951460 554834491 /nfs/dbraw/zinc/83/44/91/554834491.db2.gz RYEIAYMBQLIFJZ-ORWNMUSCSA-N -1 1 481.068 5.758 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008968571 554842981 /nfs/dbraw/zinc/84/29/81/554842981.db2.gz RGGPASSYMGEWMZ-HSZRJFAPSA-N -1 1 491.927 5.308 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008968571 554842982 /nfs/dbraw/zinc/84/29/82/554842982.db2.gz RGGPASSYMGEWMZ-HSZRJFAPSA-N -1 1 491.927 5.308 50 30 JKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008973578 554844539 /nfs/dbraw/zinc/84/45/39/554844539.db2.gz UVGFVORYEKRPEI-QFIPXVFZSA-N -1 1 488.590 6.014 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000008973720 554844870 /nfs/dbraw/zinc/84/48/70/554844870.db2.gz XABOZNCHLSWGLU-QFIPXVFZSA-N -1 1 458.514 5.835 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008973631 554844891 /nfs/dbraw/zinc/84/48/91/554844891.db2.gz SUPZFHKVMGTVPC-JOCHJYFZSA-N -1 1 474.969 6.349 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000008973627 554844933 /nfs/dbraw/zinc/84/49/33/554844933.db2.gz FJOPRNYDCKBXMJ-QFIPXVFZSA-N -1 1 458.514 5.835 50 30 JKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000008973699 554844959 /nfs/dbraw/zinc/84/49/59/554844959.db2.gz WDMFIPCTHXQZKM-HSZRJFAPSA-N -1 1 488.540 5.925 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000008973699 554844960 /nfs/dbraw/zinc/84/49/60/554844960.db2.gz WDMFIPCTHXQZKM-HSZRJFAPSA-N -1 1 488.540 5.925 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008973675 554844962 /nfs/dbraw/zinc/84/49/62/554844962.db2.gz MGPDVUWMTWERCV-QFIPXVFZSA-N -1 1 490.968 6.050 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000008973719 554844965 /nfs/dbraw/zinc/84/49/65/554844965.db2.gz XABOZNCHLSWGLU-JOCHJYFZSA-N -1 1 458.514 5.835 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008973725 554844977 /nfs/dbraw/zinc/84/49/77/554844977.db2.gz VGUNRKUVEOIIIR-OAQYLSRUSA-N -1 1 478.932 6.180 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008973832 554845278 /nfs/dbraw/zinc/84/52/78/554845278.db2.gz KUOUBYSAXIBWCL-OAQYLSRUSA-N -1 1 476.510 5.080 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000008973750 554845294 /nfs/dbraw/zinc/84/52/94/554845294.db2.gz QNHCTNDWLGXWTL-HXUWFJFHSA-N -1 1 464.905 5.872 50 30 JKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008985432 554848765 /nfs/dbraw/zinc/84/87/65/554848765.db2.gz MGYYHCYHNPPXJH-QHCPKHFHSA-N -1 1 472.541 6.342 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000008987336 554849881 /nfs/dbraw/zinc/84/98/81/554849881.db2.gz MTJNPRASSNVLJH-FQEVSTJZSA-N -1 1 464.905 5.872 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008987727 554850135 /nfs/dbraw/zinc/85/01/35/554850135.db2.gz OCTDSGXSGXEBKZ-NRFANRHFSA-N -1 1 460.942 6.041 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000008988069 554850424 /nfs/dbraw/zinc/85/04/24/554850424.db2.gz MSYDUEXKRMCRIQ-NRFANRHFSA-N -1 1 476.941 5.741 50 30 JKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008996473 554857171 /nfs/dbraw/zinc/85/71/71/554857171.db2.gz GIJSSNUGCGPVSJ-FQEVSTJZSA-N -1 1 476.554 5.144 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008996479 554857378 /nfs/dbraw/zinc/85/73/78/554857378.db2.gz AWPJJKUOQWZVJV-HSZRJFAPSA-N -1 1 472.566 6.358 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccs3)sc2c1 ZINC000008996673 554857521 /nfs/dbraw/zinc/85/75/21/554857521.db2.gz GENSGOYAFZDWQL-NRFANRHFSA-N -1 1 492.578 5.466 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008996635 554857613 /nfs/dbraw/zinc/85/76/13/554857613.db2.gz VPQUNQWBVQVPDE-HXUWFJFHSA-N -1 1 473.312 5.471 50 30 JKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(O)cc2)c1 ZINC000008996788 554857876 /nfs/dbraw/zinc/85/78/76/554857876.db2.gz RBKZTKPRFMUWSX-QFIPXVFZSA-N -1 1 472.522 5.102 50 30 JKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008996955 554858388 /nfs/dbraw/zinc/85/83/88/554858388.db2.gz ZVPBGEUJXYYMCB-RUZDIDTESA-N -1 1 468.509 5.708 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000008997026 554858590 /nfs/dbraw/zinc/85/85/90/554858590.db2.gz FHHMBBAAUGGISM-OAQYLSRUSA-N -1 1 495.329 5.093 50 30 JKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009007590 554860672 /nfs/dbraw/zinc/86/06/72/554860672.db2.gz RCQYHROAIBVGFW-JOCHJYFZSA-N -1 1 476.554 5.116 50 30 JKEAMM 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COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009007867 554861634 /nfs/dbraw/zinc/86/16/34/554861634.db2.gz CQRCMEXGGVGVTJ-JOCHJYFZSA-N -1 1 490.968 6.050 50 30 JKEAMM O=C1C(=O)N(c2cccc(Br)c2)[C@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000009007975 554861855 /nfs/dbraw/zinc/86/18/55/554861855.db2.gz QFUBJYDYBXZEOI-HXUWFJFHSA-N -1 1 452.279 5.371 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000009007975 554861857 /nfs/dbraw/zinc/86/18/57/554861857.db2.gz QFUBJYDYBXZEOI-HXUWFJFHSA-N -1 1 452.279 5.371 50 30 JKEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)o1 ZINC000009235958 555010091 /nfs/dbraw/zinc/01/00/91/555010091.db2.gz WBMPHPLCRYIDMC-QFIPXVFZSA-N -1 1 490.556 6.417 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)o1 ZINC000009235958 555010094 /nfs/dbraw/zinc/01/00/94/555010094.db2.gz WBMPHPLCRYIDMC-QFIPXVFZSA-N -1 1 490.556 6.417 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009270341 555044547 /nfs/dbraw/zinc/04/45/47/555044547.db2.gz DHQGGZGGIPPLNX-JOCHJYFZSA-N -1 1 474.538 5.606 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000009270326 555044575 /nfs/dbraw/zinc/04/45/75/555044575.db2.gz GNYXBVDHCDDDMU-NRFANRHFSA-N -1 1 492.578 5.548 50 30 JKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009324674 555097289 /nfs/dbraw/zinc/09/72/89/555097289.db2.gz YRPJLPAOBXMXFF-HXPMCKFVSA-N -1 1 497.370 5.012 50 30 JKEAMM CCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000009461633 555229470 /nfs/dbraw/zinc/22/94/70/555229470.db2.gz LFWSAMPENLOPQA-QHCPKHFHSA-N -1 1 458.470 5.301 50 30 JKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009601055 555424956 /nfs/dbraw/zinc/42/49/56/555424956.db2.gz YODCGVZUKMQBDT-JOCHJYFZSA-N -1 1 490.968 6.131 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009601055 555424960 /nfs/dbraw/zinc/42/49/60/555424960.db2.gz YODCGVZUKMQBDT-JOCHJYFZSA-N -1 1 490.968 6.131 50 30 JKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009608840 555436724 /nfs/dbraw/zinc/43/67/24/555436724.db2.gz JKMWVFKBEFYAGG-QFIPXVFZSA-N -1 1 487.625 5.580 50 30 JKEAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000009608884 555437122 /nfs/dbraw/zinc/43/71/22/555437122.db2.gz IQSJNWOXFPZCBT-NRFANRHFSA-N -1 1 475.589 5.710 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000013549015 555490767 /nfs/dbraw/zinc/49/07/67/555490767.db2.gz WHQSBGJRJMAKAH-NRFANRHFSA-N -1 1 460.511 5.243 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000013569311 555507595 /nfs/dbraw/zinc/50/75/95/555507595.db2.gz VGKBPRXAXZDNGV-QHCPKHFHSA-N -1 1 499.548 5.858 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccs2)cc1C ZINC000013570302 555508355 /nfs/dbraw/zinc/50/83/55/555508355.db2.gz HUIHNHMBGYIQIG-NRFANRHFSA-N -1 1 476.579 5.766 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000013571635 555510242 /nfs/dbraw/zinc/51/02/42/555510242.db2.gz URKMVRUXXHWNGU-QFIPXVFZSA-N -1 1 474.513 5.486 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000013571635 555510243 /nfs/dbraw/zinc/51/02/43/555510243.db2.gz URKMVRUXXHWNGU-QFIPXVFZSA-N -1 1 474.513 5.486 50 30 JKEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000020130189 555655880 /nfs/dbraw/zinc/65/58/80/555655880.db2.gz LJLBJUHROKUOIS-HXUWFJFHSA-N -1 1 462.329 5.217 50 30 JKEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000020134355 555658751 /nfs/dbraw/zinc/65/87/51/555658751.db2.gz ZYIDSFDOEYXOJY-KRWDZBQOSA-N -1 1 488.451 5.625 50 30 JKEAMM CC(C)CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000020181745 555689191 /nfs/dbraw/zinc/68/91/91/555689191.db2.gz JETGCRSFFRVJRP-QGZVFWFLSA-N -1 1 488.451 5.481 50 30 JKEAMM C=CCc1ccc(OCCOc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OC)c(OC)c1 ZINC000015856333 556024258 /nfs/dbraw/zinc/02/42/58/556024258.db2.gz WWXYGFWTIPGEEU-MOSHPQCFSA-N -1 1 492.018 5.873 50 30 JKEAMM Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1cc(Br)cc(Br)c1[O-] ZINC000017016782 556204684 /nfs/dbraw/zinc/20/46/84/556204684.db2.gz XOGDJTDVTSONOV-UFWORHAWSA-N -1 1 468.174 5.029 50 30 JKEAMM C=CCn1c(Cc2csc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)n[n-]c1=S ZINC000025681897 556229569 /nfs/dbraw/zinc/22/95/69/556229569.db2.gz MOJGAMYSYACSPX-UHFFFAOYSA-N -1 1 493.643 5.135 50 30 JKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000017242507 556243533 /nfs/dbraw/zinc/24/35/33/556243533.db2.gz CZKAMNZALJFKAB-OAQYLSRUSA-N -1 1 491.588 5.823 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@H]2c1ccccc1 ZINC000017242522 556243664 /nfs/dbraw/zinc/24/36/64/556243664.db2.gz MXBHHLFAKAIHRM-FQEVSTJZSA-N -1 1 461.562 5.814 50 30 JKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017242462 556243672 /nfs/dbraw/zinc/24/36/72/556243672.db2.gz ALEJFJGQZWTZSS-OAQYLSRUSA-N -1 1 491.588 5.823 50 30 JKEAMM CCCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(CC)cc2)s1 ZINC000027022149 556271265 /nfs/dbraw/zinc/27/12/65/556271265.db2.gz URFFAONQQJLCFI-HXUWFJFHSA-N -1 1 479.627 5.694 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000027023706 556271627 /nfs/dbraw/zinc/27/16/27/556271627.db2.gz VRAWRPQQRSANTI-IBGZPJMESA-N -1 1 459.716 5.825 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000027024042 556271932 /nfs/dbraw/zinc/27/19/32/556271932.db2.gz OTBRCKFOURTDJC-HSZRJFAPSA-N -1 1 475.566 5.831 50 30 JKEAMM COc1ccc(OC)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])c1 ZINC000027500967 556281756 /nfs/dbraw/zinc/28/17/56/556281756.db2.gz FNDZNDCUVPZTCN-DHRITJCHSA-N -1 1 460.755 6.167 50 30 JKEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000027551463 556296455 /nfs/dbraw/zinc/29/64/55/556296455.db2.gz LEXVFXFLIYBTEK-VOCPSOEZSA-N -1 1 498.373 5.072 50 30 JKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1 ZINC000018198712 556305844 /nfs/dbraw/zinc/30/58/44/556305844.db2.gz ZIHMFHMUMOSTGB-NRFANRHFSA-N -1 1 460.942 6.041 50 30 JKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1 ZINC000018198714 556305956 /nfs/dbraw/zinc/30/59/56/556305956.db2.gz ZIHMFHMUMOSTGB-OAQYLSRUSA-N -1 1 460.942 6.041 50 30 JKEAMM COc1ccc2c(c1)c(/C=C1\Oc3c(ccc([O-])c3CN(C)Cc3ccccc3)C1=O)cn2C ZINC000028182429 556316124 /nfs/dbraw/zinc/31/61/24/556316124.db2.gz QKPDWGYZXFACBT-ZMFRSBBQSA-N -1 1 454.526 5.141 50 30 JKEAMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000033692028 569630851 /nfs/dbraw/zinc/63/08/51/569630851.db2.gz LKHOHSVKUKMWFT-FRKPEAEDSA-N -1 1 463.556 5.829 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccc(Cl)cc3)cnn1[C@H]2c1ccc(C(=O)[O-])cc1 ZINC000064873984 569641313 /nfs/dbraw/zinc/64/13/13/569641313.db2.gz NOAMQOJERUBRSF-QFIPXVFZSA-N -1 1 490.947 5.145 50 30 JKEAMM [O-]c1c(Br)cc(Cc2ccccc2)cc1/C=N\c1ccc2c(c1)oc1ccccc12 ZINC000096026162 569731963 /nfs/dbraw/zinc/73/19/63/569731963.db2.gz BMUJYQGZMQGEBH-NTFVMDSBSA-N -1 1 456.339 7.396 50 30 JKEAMM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c(Br)c(Br)c1[O-] ZINC000096609930 569742713 /nfs/dbraw/zinc/74/27/13/569742713.db2.gz COFGFRCMRQKHTJ-LCYFTJDESA-N -1 1 498.196 5.208 50 30 JKEAMM CCCCCCCCN1C(=O)N(c2cccc(C)c2)[C@@H](N([O-])C(=O)Nc2cccc(C)c2)C1(C)C ZINC000097949697 569746932 /nfs/dbraw/zinc/74/69/32/569746932.db2.gz XPYXKNXAGIVXBF-VWLOTQADSA-N -1 1 480.653 6.934 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000100439644 569761275 /nfs/dbraw/zinc/76/12/75/569761275.db2.gz PFMZVAXTSVQSHC-NHFXJNLRSA-N -1 1 486.377 5.379 50 30 JKEAMM C=CCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000100617272 569765656 /nfs/dbraw/zinc/76/56/56/569765656.db2.gz GEJBLRAQQSRDNU-UHFFFAOYSA-N -1 1 492.579 5.831 50 30 JKEAMM C=CCOc1ccccc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100617266 569765672 /nfs/dbraw/zinc/76/56/72/569765672.db2.gz AENGEODXJRMSNH-UHFFFAOYSA-N -1 1 492.579 5.831 50 30 JKEAMM CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101025337 569779803 /nfs/dbraw/zinc/77/98/03/569779803.db2.gz RLCGFGLESMXZQU-NLDZOOGBSA-N -1 1 498.623 6.477 50 30 JKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000101062626 569780747 /nfs/dbraw/zinc/78/07/47/569780747.db2.gz RONNWJBVEBPWGR-WOOAAIBNSA-N -1 1 483.387 5.655 50 30 JKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000101062626 569780748 /nfs/dbraw/zinc/78/07/48/569780748.db2.gz RONNWJBVEBPWGR-WOOAAIBNSA-N -1 1 483.387 5.655 50 30 JKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000101062624 569780829 /nfs/dbraw/zinc/78/08/29/569780829.db2.gz RONNWJBVEBPWGR-LFVOPCPISA-N -1 1 483.387 5.655 50 30 JKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000101062624 569780831 /nfs/dbraw/zinc/78/08/31/569780831.db2.gz RONNWJBVEBPWGR-LFVOPCPISA-N -1 1 483.387 5.655 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000101072971 569781458 /nfs/dbraw/zinc/78/14/58/569781458.db2.gz DWNDGPYZIOCTJP-NHFXJNLRSA-N -1 1 479.286 5.118 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072835 569781465 /nfs/dbraw/zinc/78/14/65/569781465.db2.gz OVPDWXHSSJXWNM-WOOAAIBNSA-N -1 1 495.354 5.587 50 30 JKEAMM 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O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000101104141 569783016 /nfs/dbraw/zinc/78/30/16/569783016.db2.gz OQHGLWQUBJMHCQ-NHFXJNLRSA-N -1 1 468.734 5.729 50 30 JKEAMM O=C1C(=O)N(c2cccc(Br)c2)[C@@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000101104145 569783025 /nfs/dbraw/zinc/78/30/25/569783025.db2.gz XDTQAIPDOQAPQZ-NHFXJNLRSA-N -1 1 452.279 5.215 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000101104145 569783026 /nfs/dbraw/zinc/78/30/26/569783026.db2.gz XDTQAIPDOQAPQZ-NHFXJNLRSA-N -1 1 452.279 5.215 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000101287243 569789383 /nfs/dbraw/zinc/78/93/83/569789383.db2.gz IDIZQTJSQMBZLD-NXLSWJSLSA-N -1 1 472.541 5.472 50 30 JKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000101293936 569789813 /nfs/dbraw/zinc/78/98/13/569789813.db2.gz JIZHNTMMUCMAQR-MRJHHRETSA-N -1 1 480.973 5.604 50 30 JKEAMM 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CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000103854598 569838612 /nfs/dbraw/zinc/83/86/12/569838612.db2.gz SEFGNIWNHSGWEQ-AYWGPLOBSA-N -1 1 491.927 5.152 50 30 JKEAMM Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2F)cc1 ZINC000104121228 569841202 /nfs/dbraw/zinc/84/12/02/569841202.db2.gz RYDBNNQGEHXQEF-JBCNATCCSA-N -1 1 455.407 5.779 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2F)cc1 ZINC000104121228 569841204 /nfs/dbraw/zinc/84/12/04/569841204.db2.gz RYDBNNQGEHXQEF-JBCNATCCSA-N -1 1 455.407 5.779 50 30 JKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104134776 569841858 /nfs/dbraw/zinc/84/18/58/569841858.db2.gz DELCMMPIHZCZIX-HOGKFDNTSA-N -1 1 476.872 5.077 50 30 JKEAMM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000104236343 569843831 /nfs/dbraw/zinc/84/38/31/569843831.db2.gz ZLTVJRNOBIHQAF-LFVOPCPISA-N -1 1 452.963 5.720 50 30 JKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000104236343 569843832 /nfs/dbraw/zinc/84/38/32/569843832.db2.gz ZLTVJRNOBIHQAF-LFVOPCPISA-N -1 1 452.963 5.720 50 30 JKEAMM CC(=N[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)Nc1ccccc1S2 ZINC000252623992 570087952 /nfs/dbraw/zinc/08/79/52/570087952.db2.gz PDUWHLMBDLERNC-UHFFFAOYSA-N -1 1 464.399 5.904 50 30 JKEAMM CCOc1cc(Br)cc(C=Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)c1O ZINC000252642753 570090699 /nfs/dbraw/zinc/09/06/99/570090699.db2.gz ZPKQUFBNSRBTOV-UHFFFAOYSA-N -1 1 453.292 5.818 50 30 JKEAMM Cc1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 ZINC000003114102 194227621 /nfs/dbraw/zinc/22/76/21/194227621.db2.gz GUXWAXQGFRMFIH-KIBLKLHPSA-N -1 1 476.157 7.329 50 30 JKEAMM CCCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccccc1)c1ccccc21 ZINC000003368594 194304528 /nfs/dbraw/zinc/30/45/28/194304528.db2.gz KIWZODWDOSMSFS-UHFFFAOYSA-N -1 1 493.625 7.213 50 30 JKEAMM CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])c1 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CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1 ZINC000102490094 130144058 /nfs/dbraw/zinc/14/40/58/130144058.db2.gz YAAAJCVYGKUIJT-ZHHPLPSFSA-N -1 1 470.550 5.630 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102490336 130144441 /nfs/dbraw/zinc/14/44/41/130144441.db2.gz ZGJAUSMKQOILCD-WOOAAIBNSA-N -1 1 466.515 5.132 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102492712 130147139 /nfs/dbraw/zinc/14/71/39/130147139.db2.gz YRVUXHRTDCGWJM-HOGKFDNTSA-N -1 1 490.512 5.079 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102492722 130147169 /nfs/dbraw/zinc/14/71/69/130147169.db2.gz YRVUXHRTDCGWJM-MOBKVPTQSA-N -1 1 490.512 5.079 50 30 JKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102495060 130149141 /nfs/dbraw/zinc/14/91/41/130149141.db2.gz JXTPMKKUQLFATP-NHFXJNLRSA-N -1 1 484.961 5.057 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102495060 130149143 /nfs/dbraw/zinc/14/91/43/130149143.db2.gz JXTPMKKUQLFATP-NHFXJNLRSA-N -1 1 484.961 5.057 50 30 JKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102496596 130150715 /nfs/dbraw/zinc/15/07/15/130150715.db2.gz ZRDSIKOPQATZES-SELCWUDQSA-N -1 1 481.486 5.031 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102500038 130153885 /nfs/dbraw/zinc/15/38/85/130153885.db2.gz VVSAVHQWLQBMOL-MRJHHRETSA-N -1 1 460.942 5.884 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102501035 130155077 /nfs/dbraw/zinc/15/50/77/130155077.db2.gz UCJFSQNKNBOSHA-QOJBNDRUSA-N -1 1 464.930 5.786 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102504365 130158315 /nfs/dbraw/zinc/15/83/15/130158315.db2.gz VRYOJCFXSNVOLB-MOBKVPTQSA-N -1 1 456.523 5.240 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000102506214 130160411 /nfs/dbraw/zinc/16/04/11/130160411.db2.gz WQTSHXOGQZXWFX-LFVOPCPISA-N -1 1 468.893 5.617 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000102507585 130161915 /nfs/dbraw/zinc/16/19/15/130161915.db2.gz GJQFWRLROUOCDO-JBCNATCCSA-N -1 1 466.990 6.163 50 30 JKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102509049 130163104 /nfs/dbraw/zinc/16/31/04/130163104.db2.gz QAYZEYAIHGWCBP-HOGKFDNTSA-N -1 1 488.565 5.822 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102509049 130163106 /nfs/dbraw/zinc/16/31/06/130163106.db2.gz QAYZEYAIHGWCBP-HOGKFDNTSA-N -1 1 488.565 5.822 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102513521 130167211 /nfs/dbraw/zinc/16/72/11/130167211.db2.gz HRKIOVTWDILHCD-JBCNATCCSA-N -1 1 494.931 5.724 50 30 JKEAMM 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COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102528229 130180848 /nfs/dbraw/zinc/18/08/48/130180848.db2.gz BWRAWQVMGJSGAV-NHFXJNLRSA-N -1 1 496.541 5.140 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102528444 130180901 /nfs/dbraw/zinc/18/09/01/130180901.db2.gz USIJYJLHIBETBV-ZHHPLPSFSA-N -1 1 470.550 5.548 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2F)cc1 ZINC000102534271 130188464 /nfs/dbraw/zinc/18/84/64/130188464.db2.gz MCLZWODNCRMQSS-MOBKVPTQSA-N -1 1 492.503 5.600 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102536234 130191498 /nfs/dbraw/zinc/19/14/98/130191498.db2.gz ATXMABUJESEREN-SADKCHQCSA-N -1 1 482.414 5.548 50 30 JKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102540866 130196373 /nfs/dbraw/zinc/19/63/73/130196373.db2.gz HOAMPDNUGLTPGQ-OBVHCKHUSA-N -1 1 460.511 5.141 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102540866 130196375 /nfs/dbraw/zinc/19/63/75/130196375.db2.gz HOAMPDNUGLTPGQ-OBVHCKHUSA-N -1 1 460.511 5.141 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102543613 130199937 /nfs/dbraw/zinc/19/99/37/130199937.db2.gz ZYUXSEXGXZXIEI-ASBZNUFUSA-N -1 1 475.482 5.041 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000102555718 130205961 /nfs/dbraw/zinc/20/59/61/130205961.db2.gz YZNPNXTVHPWMSD-NPJIAGGLSA-N -1 1 484.483 5.327 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000102555725 130205989 /nfs/dbraw/zinc/20/59/89/130205989.db2.gz YZNPNXTVHPWMSD-IUKMQXEJSA-N -1 1 484.483 5.327 50 30 JKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccc(F)c2)no1 ZINC000102570844 130214390 /nfs/dbraw/zinc/21/43/90/130214390.db2.gz NFQUKNJLCQCKCB-NHFXJNLRSA-N -1 1 499.336 5.500 50 30 JKEAMM CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102580653 130216435 /nfs/dbraw/zinc/21/64/35/130216435.db2.gz IBNYBJIDOIQODN-HOGKFDNTSA-N -1 1 478.342 5.474 50 30 JKEAMM CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102580657 130216524 /nfs/dbraw/zinc/21/65/24/130216524.db2.gz IBNYBJIDOIQODN-MOBKVPTQSA-N -1 1 478.342 5.474 50 30 JKEAMM O=C1C(=O)N(c2cccc(Br)c2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000102590304 130218324 /nfs/dbraw/zinc/21/83/24/130218324.db2.gz WJBGPVGJCZHPLQ-NHFXJNLRSA-N -1 1 468.734 5.729 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102590304 130218327 /nfs/dbraw/zinc/21/83/27/130218327.db2.gz WJBGPVGJCZHPLQ-NHFXJNLRSA-N -1 1 468.734 5.729 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000102588595 130218401 /nfs/dbraw/zinc/21/84/01/130218401.db2.gz APJHKHSEVOAZIY-MRJHHRETSA-N -1 1 487.861 5.994 50 30 JKEAMM 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CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000000623260 553712315 /nfs/dbraw/zinc/71/23/15/553712315.db2.gz PJYTXSDQIZLVCA-LJQANCHMSA-N -1 1 452.963 5.877 50 30 JKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000000623260 553712316 /nfs/dbraw/zinc/71/23/16/553712316.db2.gz PJYTXSDQIZLVCA-LJQANCHMSA-N -1 1 452.963 5.877 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000000634271 553720126 /nfs/dbraw/zinc/72/01/26/553720126.db2.gz SAHYXKASBJHHLF-NRFANRHFSA-N -1 1 463.559 5.152 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000000637505 553721552 /nfs/dbraw/zinc/72/15/52/553721552.db2.gz VSZLIJDOXUDDSR-KRWDZBQOSA-N -1 1 460.342 5.245 50 30 JKEAMM Cc1cccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000702473 553761125 /nfs/dbraw/zinc/76/11/25/553761125.db2.gz KFXBVQBCCBLIOY-NRFANRHFSA-N -1 1 475.589 5.710 50 30 JKEAMM 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CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000001450574 553973853 /nfs/dbraw/zinc/97/38/53/553973853.db2.gz WHYYHYDNVVKAGA-QFIPXVFZSA-N -1 1 474.538 5.552 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000001451682 553974125 /nfs/dbraw/zinc/97/41/25/553974125.db2.gz RIDIZZIQARIANH-SFHVURJKSA-N -1 1 454.479 5.419 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cccs3)sc2c1 ZINC000001451501 553974162 /nfs/dbraw/zinc/97/41/62/553974162.db2.gz BXNBEQMNMQAGRQ-LJQANCHMSA-N -1 1 450.541 5.605 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccs3)sc2c1 ZINC000001451500 553974191 /nfs/dbraw/zinc/97/41/91/553974191.db2.gz BXNBEQMNMQAGRQ-IBGZPJMESA-N -1 1 450.541 5.605 50 30 JKEAMM Cc1cc2nc(-c3ccc(C)c(/N=C/c4c([O-])ccc5cc([N+](=O)[O-])ccc54)c3)oc2c(C)c1 ZINC000001884440 554000374 /nfs/dbraw/zinc/00/03/74/554000374.db2.gz KYJUFNAOEDBVRD-CCVNUDIWSA-N -1 1 451.482 6.938 50 30 JKEAMM 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COc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000006282979 554525859 /nfs/dbraw/zinc/52/58/59/554525859.db2.gz GKZMBERDROBEDI-NRFANRHFSA-N -1 1 464.315 5.241 50 30 JKEAMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000008450966 554596854 /nfs/dbraw/zinc/59/68/54/554596854.db2.gz MGAVMNPXNNXYLC-CHHVJCJISA-N -1 1 481.546 5.070 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008740025 554641855 /nfs/dbraw/zinc/64/18/55/554641855.db2.gz NNJHEUKKTSZQQV-HXUWFJFHSA-N -1 1 494.569 5.436 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000008743522 554646171 /nfs/dbraw/zinc/64/61/71/554646171.db2.gz WWMFGKMTHKXICA-OAQYLSRUSA-N -1 1 487.339 5.860 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000008743909 554646944 /nfs/dbraw/zinc/64/69/44/554646944.db2.gz CVZAUKPGAXXSEW-NRFANRHFSA-N -1 1 460.580 6.012 50 30 JKEAMM 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JKEAMM CO[C@@]1(/C(C)=N/[O-])[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000008789896 554682771 /nfs/dbraw/zinc/68/27/71/554682771.db2.gz GXDRQKRSEWVQDF-HQOMCSIUSA-N -1 1 481.633 5.381 50 30 biogenic JKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008816726 554698818 /nfs/dbraw/zinc/69/88/18/554698818.db2.gz FFJQZNPXQRJCRT-QFIPXVFZSA-N -1 1 472.522 5.096 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008816854 554699007 /nfs/dbraw/zinc/69/90/07/554699007.db2.gz NMXIUSGRLXTBPG-LJQANCHMSA-N -1 1 466.902 5.334 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000008817998 554701135 /nfs/dbraw/zinc/70/11/35/554701135.db2.gz DLCOXICTLSAXGL-JOCHJYFZSA-N -1 1 490.512 5.236 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000008818001 554701152 /nfs/dbraw/zinc/70/11/52/554701152.db2.gz JQTMDMNTNVHZEN-HSZRJFAPSA-N 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30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008837151 554737822 /nfs/dbraw/zinc/73/78/22/554737822.db2.gz JNSPBYUXOALHNZ-QHCPKHFHSA-N -1 1 486.549 5.487 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3F)sc2c1 ZINC000008837541 554738642 /nfs/dbraw/zinc/73/86/42/554738642.db2.gz GWMVAMCRSXXMCP-NRFANRHFSA-N -1 1 478.501 5.518 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000008837701 554738826 /nfs/dbraw/zinc/73/88/26/554738826.db2.gz SDSHIHUIWLWRAT-QFIPXVFZSA-N -1 1 458.514 5.835 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008838047 554739407 /nfs/dbraw/zinc/73/94/07/554739407.db2.gz YRAUMGSNXYTQJN-HSZRJFAPSA-N -1 1 488.565 5.996 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000008845806 554743918 /nfs/dbraw/zinc/74/39/18/554743918.db2.gz IBXFYBIMHUEDCZ-JLCFBVMHSA-N -1 1 489.597 5.250 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000008845805 554744006 /nfs/dbraw/zinc/74/40/06/554744006.db2.gz IBXFYBIMHUEDCZ-FPTDNZKUSA-N -1 1 489.597 5.250 50 30 JKEAMM CCCCCCOc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)c1 ZINC000008846616 554745168 /nfs/dbraw/zinc/74/51/68/554745168.db2.gz SNFXQKQDIARSAL-AREMUKBSSA-N -1 1 473.544 6.568 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008894212 554783134 /nfs/dbraw/zinc/78/31/34/554783134.db2.gz LYRYFNUTNUCXJT-FQEVSTJZSA-N -1 1 475.482 5.143 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000008894375 554783418 /nfs/dbraw/zinc/78/34/18/554783418.db2.gz SIYJUPRMLSOBBH-QHCPKHFHSA-N -1 1 472.541 6.089 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008896812 554786754 /nfs/dbraw/zinc/78/67/54/554786754.db2.gz DDBCUTOZRBOAQU-JOCHJYFZSA-N -1 1 476.504 5.920 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000008902138 554796121 /nfs/dbraw/zinc/79/61/21/554796121.db2.gz ASSNALSYKYFARI-IBGZPJMESA-N -1 1 453.951 5.406 50 30 JKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000008903526 554797739 /nfs/dbraw/zinc/79/77/39/554797739.db2.gz XVBHRBQDEFKALN-QHCPKHFHSA-N -1 1 488.540 5.925 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000008903526 554797741 /nfs/dbraw/zinc/79/77/41/554797741.db2.gz XVBHRBQDEFKALN-QHCPKHFHSA-N -1 1 488.540 5.925 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008903739 554798033 /nfs/dbraw/zinc/79/80/33/554798033.db2.gz IKQGFFYJVITFTH-OAQYLSRUSA-N -1 1 492.578 5.548 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008903739 554798035 /nfs/dbraw/zinc/79/80/35/554798035.db2.gz IKQGFFYJVITFTH-OAQYLSRUSA-N -1 1 492.578 5.548 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008905392 554799695 /nfs/dbraw/zinc/79/96/95/554799695.db2.gz JZPUWXDONXIGGZ-IBGZPJMESA-N -1 1 452.919 5.144 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000008914202 554807302 /nfs/dbraw/zinc/80/73/02/554807302.db2.gz YWJYIEJXTVJOJX-DEOSSOPVSA-N -1 1 460.530 5.677 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000008914987 554808176 /nfs/dbraw/zinc/80/81/76/554808176.db2.gz RXXRDYYLOCSTBN-HXUWFJFHSA-N -1 1 473.312 5.390 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000008918959 554815769 /nfs/dbraw/zinc/81/57/69/554815769.db2.gz DGCWSZMVWGONPO-JOCHJYFZSA-N -1 1 472.522 5.096 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000008918962 554815803 /nfs/dbraw/zinc/81/58/03/554815803.db2.gz DGCWSZMVWGONPO-QFIPXVFZSA-N -1 1 472.522 5.096 50 30 JKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000008919036 554815917 /nfs/dbraw/zinc/81/59/17/554815917.db2.gz KIGGKSHIOUWTOX-IBGZPJMESA-N -1 1 454.935 5.205 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000008919036 554815919 /nfs/dbraw/zinc/81/59/19/554815919.db2.gz KIGGKSHIOUWTOX-IBGZPJMESA-N -1 1 454.935 5.205 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000008919861 554816639 /nfs/dbraw/zinc/81/66/39/554816639.db2.gz BWGOQNGZBLOTTI-LJQANCHMSA-N -1 1 468.893 5.773 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000008920983 554817667 /nfs/dbraw/zinc/81/76/67/554817667.db2.gz UZWQKYXSNUKBOH-IBGZPJMESA-N -1 1 497.370 5.253 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008922696 554819527 /nfs/dbraw/zinc/81/95/27/554819527.db2.gz VMUUXUPOOLFMDP-HXUWFJFHSA-N -1 1 479.286 5.140 50 30 JKEAMM O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccccc1 ZINC000008922965 554819943 /nfs/dbraw/zinc/81/99/43/554819943.db2.gz QEMPCNKAXPNLDV-QFIPXVFZSA-N -1 1 454.507 5.718 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000008922965 554819946 /nfs/dbraw/zinc/81/99/46/554819946.db2.gz QEMPCNKAXPNLDV-QFIPXVFZSA-N -1 1 454.507 5.718 50 30 JKEAMM C=CCN1C(=O)N(c2cccc3ccccc32)[C@@H](N([O-])C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000008926067 554822334 /nfs/dbraw/zinc/82/23/34/554822334.db2.gz UFCLRYFKSDUCRG-SANMLTNESA-N -1 1 480.568 6.449 50 30 JKEAMM C=CCN1C(=O)N(c2cccc3ccccc32)[C@H](N([O-])C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000008926394 554823032 /nfs/dbraw/zinc/82/30/32/554823032.db2.gz UFCLRYFKSDUCRG-AREMUKBSSA-N -1 1 480.568 6.449 50 30 JKEAMM C/C(=N\n1cc(-c2ccccc2)nc1/N=C/c1cc(Br)ccc1[O-])c1ccccc1 ZINC000008934430 554829142 /nfs/dbraw/zinc/82/91/42/554829142.db2.gz MWDFYIDUQAJDBM-UJXSPMJHSA-N -1 1 459.347 6.041 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008934747 554829292 /nfs/dbraw/zinc/82/92/92/554829292.db2.gz NQSGJSJIXDOHEY-FQEVSTJZSA-N -1 1 491.550 5.611 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008934746 554829440 /nfs/dbraw/zinc/82/94/40/554829440.db2.gz NQSGJSJIXDOHEY-HXUWFJFHSA-N -1 1 491.550 5.611 50 30 JKEAMM CN(C)c1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000008951417 554834250 /nfs/dbraw/zinc/83/42/50/554834250.db2.gz VLBYFCRUNOPIOJ-ZMPUUUETSA-N -1 1 478.043 5.102 50 30 JKEAMM CC1(C)SC(=S)N(/N=C/c2ccccc2F)[C@@H]1N([O-])C(=O)Nc1cccc(Cl)c1 ZINC000008951426 554834369 /nfs/dbraw/zinc/83/43/69/554834369.db2.gz XOLLJONSHTZFHE-CNPYVQQSSA-N -1 1 452.964 5.175 50 30 JKEAMM CC1(C)SC(=S)N(/N=C/c2c(F)cccc2Cl)[C@H]1N([O-])C(=O)Nc1cccc(Cl)c1 ZINC000008951473 554834548 /nfs/dbraw/zinc/83/45/48/554834548.db2.gz XXKFFHKYPLIIFR-VYPBGABDSA-N -1 1 487.409 5.828 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008972341 554844243 /nfs/dbraw/zinc/84/42/43/554844243.db2.gz RGGPASSYMGEWMZ-QHCPKHFHSA-N -1 1 491.927 5.308 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008972341 554844246 /nfs/dbraw/zinc/84/42/46/554844246.db2.gz RGGPASSYMGEWMZ-QHCPKHFHSA-N -1 1 491.927 5.308 50 30 JKEAMM O=[N+]([O-])c1ccc(NCC/N=C/c2cc(Cc3ccccc3)cc(Br)c2[O-])c(Cl)c1 ZINC000008972163 554844372 /nfs/dbraw/zinc/84/43/72/554844372.db2.gz SAQDBZKSNQEPHH-AFUMVMLFSA-N -1 1 488.769 5.838 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008973482 554844503 /nfs/dbraw/zinc/84/45/03/554844503.db2.gz QPLLKTLGDSFRFS-NRFANRHFSA-N -1 1 476.510 5.080 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008973604 554844558 /nfs/dbraw/zinc/84/45/58/554844558.db2.gz ZFGQOIMSYQACQY-QHCPKHFHSA-N -1 1 470.550 5.786 50 30 JKEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008973570 554844619 /nfs/dbraw/zinc/84/46/19/554844619.db2.gz NPXGQEUTJWVZRM-QFIPXVFZSA-N -1 1 490.606 6.238 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1 ZINC000008973690 554844943 /nfs/dbraw/zinc/84/49/43/554844943.db2.gz WEIJMRNTKMTQSZ-QHCPKHFHSA-N -1 1 470.550 5.786 50 30 JKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008973801 554845283 /nfs/dbraw/zinc/84/52/83/554845283.db2.gz AGYJSHCWZJGFCC-NRFANRHFSA-N -1 1 478.501 5.600 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000008980623 554846742 /nfs/dbraw/zinc/84/67/42/554846742.db2.gz GVIKTKUOYDSPKE-MRXNPFEDSA-N -1 1 475.751 5.342 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008980886 554846788 /nfs/dbraw/zinc/84/67/88/554846788.db2.gz CDUQRYYYQUBOGP-HXUWFJFHSA-N -1 1 480.929 5.724 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000008987709 554850126 /nfs/dbraw/zinc/85/01/26/554850126.db2.gz LEXPCQUSXLQCKQ-QFIPXVFZSA-N -1 1 497.016 6.328 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008987902 554850444 /nfs/dbraw/zinc/85/04/44/554850444.db2.gz XBOLZBYSHNEOON-QFIPXVFZSA-N -1 1 490.537 5.388 50 30 JKEAMM COc1ccccc1[C@H]1C(=C([O-])c2ccco2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000008988128 554850578 /nfs/dbraw/zinc/85/05/78/554850578.db2.gz HGYOKLAVEVMACM-NRFANRHFSA-N -1 1 460.511 5.298 50 30 JKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000008988128 554850580 /nfs/dbraw/zinc/85/05/80/554850580.db2.gz HGYOKLAVEVMACM-NRFANRHFSA-N -1 1 460.511 5.298 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000008988318 554850882 /nfs/dbraw/zinc/85/08/82/554850882.db2.gz FTNDVMYVJMBGAE-HXUWFJFHSA-N -1 1 464.930 5.942 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008988358 554850890 /nfs/dbraw/zinc/85/08/90/554850890.db2.gz DIJHAFHBSPUOKE-HSZRJFAPSA-N -1 1 486.549 5.487 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008988364 554850942 /nfs/dbraw/zinc/85/09/42/554850942.db2.gz DIJHAFHBSPUOKE-QHCPKHFHSA-N -1 1 486.549 5.487 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000008996247 554856651 /nfs/dbraw/zinc/85/66/51/554856651.db2.gz LTDCWDOHMOCHRN-QFIPXVFZSA-N -1 1 474.513 5.486 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000008996247 554856653 /nfs/dbraw/zinc/85/66/53/554856653.db2.gz LTDCWDOHMOCHRN-QFIPXVFZSA-N -1 1 474.513 5.486 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008996257 554856671 /nfs/dbraw/zinc/85/66/71/554856671.db2.gz RJWIBIQGQMZJEL-NRFANRHFSA-N -1 1 460.511 5.243 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000008996385 554856876 /nfs/dbraw/zinc/85/68/76/554856876.db2.gz CWBFHMIWJLTONJ-LJQANCHMSA-N -1 1 469.950 5.070 50 30 JKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996504 554857226 /nfs/dbraw/zinc/85/72/26/554857226.db2.gz TZSFXIGNBYVABG-HSZRJFAPSA-N -1 1 486.549 5.799 50 30 JKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996505 554857349 /nfs/dbraw/zinc/85/73/49/554857349.db2.gz TZSFXIGNBYVABG-QHCPKHFHSA-N -1 1 486.549 5.799 50 30 JKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)o2)c1 ZINC000008996627 554857653 /nfs/dbraw/zinc/85/76/53/554857653.db2.gz ZSNMPRPBVDIQJR-OAQYLSRUSA-N -1 1 460.511 5.298 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccs3)sc2c1 ZINC000008996674 554857671 /nfs/dbraw/zinc/85/76/71/554857671.db2.gz GENSGOYAFZDWQL-OAQYLSRUSA-N -1 1 492.578 5.466 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000008996625 554857729 /nfs/dbraw/zinc/85/77/29/554857729.db2.gz DRUFIBHZBCFXSY-HSZRJFAPSA-N -1 1 470.550 5.650 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009007829 554861290 /nfs/dbraw/zinc/86/12/90/554861290.db2.gz SGXASFLAEMHQRY-QFIPXVFZSA-N -1 1 474.513 5.535 50 30 JKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009007859 554861578 /nfs/dbraw/zinc/86/15/78/554861578.db2.gz HGWXOLTZRYYRMF-QHCPKHFHSA-N -1 1 488.540 5.925 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009007859 554861579 /nfs/dbraw/zinc/86/15/79/554861579.db2.gz HGWXOLTZRYYRMF-QHCPKHFHSA-N -1 1 488.540 5.925 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009007889 554861586 /nfs/dbraw/zinc/86/15/86/554861586.db2.gz WVPBYRQQPIEMQT-NRFANRHFSA-N -1 1 489.484 5.435 50 30 JKEAMM 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COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000009008133 554862288 /nfs/dbraw/zinc/86/22/88/554862288.db2.gz RMWYDQXKLUYGOP-FQEVSTJZSA-N -1 1 468.962 5.513 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000009008133 554862290 /nfs/dbraw/zinc/86/22/90/554862290.db2.gz RMWYDQXKLUYGOP-FQEVSTJZSA-N -1 1 468.962 5.513 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000009008185 554862496 /nfs/dbraw/zinc/86/24/96/554862496.db2.gz BZUFZNADJZYULW-LJQANCHMSA-N -1 1 495.354 5.743 50 30 JKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009324671 555097258 /nfs/dbraw/zinc/09/72/58/555097258.db2.gz YRPJLPAOBXMXFF-BUXKBTBVSA-N -1 1 497.370 5.012 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(I)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000009380195 555142212 /nfs/dbraw/zinc/14/22/12/555142212.db2.gz VWUNQCAJDZGZLG-HXUWFJFHSA-N -1 1 481.289 5.074 50 30 JKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000009462938 555232201 /nfs/dbraw/zinc/23/22/01/555232201.db2.gz IDOWGYXMBQKCCZ-HSZRJFAPSA-N -1 1 458.470 5.301 50 30 JKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000009462938 555232205 /nfs/dbraw/zinc/23/22/05/555232205.db2.gz IDOWGYXMBQKCCZ-HSZRJFAPSA-N -1 1 458.470 5.301 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)o2)cc1C ZINC000009464145 555235668 /nfs/dbraw/zinc/23/56/68/555235668.db2.gz ZLTMIJHUQOCGIR-QFIPXVFZSA-N -1 1 474.538 5.606 50 30 JKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1 ZINC000009601045 555425091 /nfs/dbraw/zinc/42/50/91/555425091.db2.gz ASBNWHUABSUZNU-OAQYLSRUSA-N -1 1 476.941 5.741 50 30 JKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c1 ZINC000009601045 555425096 /nfs/dbraw/zinc/42/50/96/555425096.db2.gz ASBNWHUABSUZNU-OAQYLSRUSA-N -1 1 476.941 5.741 50 30 JKEAMM CCCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000009602048 555427779 /nfs/dbraw/zinc/42/77/79/555427779.db2.gz JINSJPLTTRPAGF-NDEPHWFRSA-N -1 1 490.600 5.873 50 30 JKEAMM COc1ccccc1[C@H]1c2c(=O)[n-]c(SCc3cccc(F)c3)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000009608790 555436570 /nfs/dbraw/zinc/43/65/70/555436570.db2.gz ZBTKZWBTAWAVOF-OAQYLSRUSA-N -1 1 491.588 5.411 50 30 JKEAMM COc1ccccc1[C@@H]1c2c(=O)[n-]c(SCc3ccccc3C)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000009608818 555436631 /nfs/dbraw/zinc/43/66/31/555436631.db2.gz IGAUATMBHFJNQM-QFIPXVFZSA-N -1 1 487.625 5.580 50 30 JKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4cccc(F)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009608794 555436688 /nfs/dbraw/zinc/43/66/88/555436688.db2.gz IINUIWHBVRFKBN-NRFANRHFSA-N -1 1 491.588 5.411 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000013549733 555491120 /nfs/dbraw/zinc/49/11/20/555491120.db2.gz ANLQUFYVKPSBIZ-MRXNPFEDSA-N -1 1 488.974 5.126 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccccc3OC)sc2c1 ZINC000013552539 555492810 /nfs/dbraw/zinc/49/28/10/555492810.db2.gz KILWDIPKNFBTKL-JOCHJYFZSA-N -1 1 474.538 5.552 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3OC)sc2c1 ZINC000013552539 555492814 /nfs/dbraw/zinc/49/28/14/555492814.db2.gz KILWDIPKNFBTKL-JOCHJYFZSA-N -1 1 474.538 5.552 50 30 JKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2)c1 ZINC000013569169 555507524 /nfs/dbraw/zinc/50/75/24/555507524.db2.gz GXWKBAAUGSZOFO-QHCPKHFHSA-N -1 1 486.549 5.405 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccs3)sc2c1 ZINC000013570753 555509095 /nfs/dbraw/zinc/50/90/95/555509095.db2.gz LOKHIAZYNOPXBG-GOSISDBHSA-N -1 1 452.582 5.765 50 30 JKEAMM CN(Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 ZINC000013655639 555554990 /nfs/dbraw/zinc/55/49/90/555554990.db2.gz YOXMYJOPWISPTR-KSEXSDGBSA-N -1 1 463.917 5.160 50 30 JKEAMM Cc1cc(/C=N/c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c([O-])c(Br)c1C ZINC000020075013 555628497 /nfs/dbraw/zinc/62/84/97/555628497.db2.gz CFMHEGURJDBLST-NSKAYECMSA-N -1 1 490.184 7.637 50 30 JKEAMM C=CCc1cc(C=C2SC(=O)[N-]C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000013843849 555632682 /nfs/dbraw/zinc/63/26/82/555632682.db2.gz IAEMQJVEJFRAIE-UNOMPAQXSA-N -1 1 474.376 5.479 50 30 JKEAMM C=CCn1c(Cc2csc(NC(=O)c3sc4nc(C(C)(C)C)nc(C)c4c3C)n2)n[n-]c1=S ZINC000023041944 556001355 /nfs/dbraw/zinc/00/13/55/556001355.db2.gz LCFDGPGPMMHIHQ-UHFFFAOYSA-N -1 1 499.691 5.345 50 30 JKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000016729556 556155136 /nfs/dbraw/zinc/15/51/36/556155136.db2.gz JHAAJAUIGKBGEX-QFIPXVFZSA-N -1 1 477.586 5.371 50 30 JKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000016729556 556155139 /nfs/dbraw/zinc/15/51/39/556155139.db2.gz JHAAJAUIGKBGEX-QFIPXVFZSA-N -1 1 477.586 5.371 50 30 JKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016729574 556155303 /nfs/dbraw/zinc/15/53/03/556155303.db2.gz IPEITWCYDYHIBV-OAQYLSRUSA-N -1 1 476.554 5.008 50 30 JKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016953604 556184450 /nfs/dbraw/zinc/18/44/50/556184450.db2.gz SVBKFBLRVPIOEC-HXUWFJFHSA-N -1 1 479.989 5.701 50 30 JKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)c1 ZINC000016960307 556190423 /nfs/dbraw/zinc/19/04/23/556190423.db2.gz BUVDFRIRMCPHHW-HXUWFJFHSA-N -1 1 479.989 5.701 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000016993821 556197969 /nfs/dbraw/zinc/19/79/69/556197969.db2.gz PINYVWJGRBTTFK-NRFANRHFSA-N -1 1 482.414 5.705 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(I)cc3)[C@H]2c2ccccc2)cc1 ZINC000016994884 556199046 /nfs/dbraw/zinc/19/90/46/556199046.db2.gz LWPQMKMFSWMBBW-NRFANRHFSA-N -1 1 495.316 5.383 50 30 JKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017041235 556208106 /nfs/dbraw/zinc/20/81/06/556208106.db2.gz ABSRVIXYZCMGNV-FQEVSTJZSA-N -1 1 463.990 6.001 50 30 JKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000017137927 556224175 /nfs/dbraw/zinc/22/41/75/556224175.db2.gz INYCUNUXTXTFGU-LJQANCHMSA-N -1 1 499.386 5.476 50 30 JKEAMM O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c(=O)[n-]c(SCc3ccc([N+](=O)[O-])cc3)nc1N2 ZINC000017155927 556228735 /nfs/dbraw/zinc/22/87/35/556228735.db2.gz CLFARWCPROCVEJ-LJQANCHMSA-N -1 1 494.960 5.601 50 30 JKEAMM O=C1CCCC2=C1[C@H](c1cccc(Br)c1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000017189606 556235906 /nfs/dbraw/zinc/23/59/06/556235906.db2.gz LBECVGXFOJNTPH-IBGZPJMESA-N -1 1 494.414 5.802 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000017242364 556243062 /nfs/dbraw/zinc/24/30/62/556243062.db2.gz LFXLHFJLMZDXSZ-HXUWFJFHSA-N -1 1 488.569 5.583 50 30 JKEAMM COc1ccccc1[C@@H]1c2c(=O)[n-]c(SCc3ccccc3)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000017242404 556243114 /nfs/dbraw/zinc/24/31/14/556243114.db2.gz NLJNMAGBMZMXKI-NRFANRHFSA-N -1 1 473.598 5.684 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@@H]2c1cccc(O)c1 ZINC000017242419 556243233 /nfs/dbraw/zinc/24/32/33/556243233.db2.gz FEYJTXMGRYBMDM-HXUWFJFHSA-N -1 1 494.016 6.034 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@H]2c1cccc(F)c1 ZINC000017242379 556243284 /nfs/dbraw/zinc/24/32/84/556243284.db2.gz BEBQPLQYRPYWIV-FQEVSTJZSA-N -1 1 461.562 5.814 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@H]2c1cccc(F)c1 ZINC000017242490 556243520 /nfs/dbraw/zinc/24/35/20/556243520.db2.gz GJGHFJSBKZIPHQ-FQEVSTJZSA-N -1 1 479.552 5.953 50 30 JKEAMM CCOc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017307583 556255080 /nfs/dbraw/zinc/25/50/80/556255080.db2.gz KNRIJXLXKKYCHT-OAQYLSRUSA-N -1 1 477.561 5.577 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000027023704 556271632 /nfs/dbraw/zinc/27/16/32/556271632.db2.gz VRAWRPQQRSANTI-LJQANCHMSA-N -1 1 459.716 5.825 50 30 JKEAMM [O-]c1c(Br)cc(Cc2ccccc2Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000027500945 556281703 /nfs/dbraw/zinc/28/17/03/556281703.db2.gz DSPWLTISKRAYLQ-JVWAILMASA-N -1 1 485.809 5.986 50 30 JKEAMM COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])cc1OC ZINC000027500962 556281861 /nfs/dbraw/zinc/28/18/61/556281861.db2.gz YYHZOCPTSWFMKR-DHRITJCHSA-N -1 1 460.755 6.167 50 30 JKEAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)/C=C3\N(C)c4ccccc4C3(C)C)c2)c(C)c1 ZINC000032693730 569602567 /nfs/dbraw/zinc/60/25/67/569602567.db2.gz NWPHCAIYFMMSDP-ONUIUJJFSA-N -1 1 460.599 5.598 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccc(Cl)cc3)cnn1[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000064873986 569641325 /nfs/dbraw/zinc/64/13/25/569641325.db2.gz NOAMQOJERUBRSF-JOCHJYFZSA-N -1 1 490.947 5.145 50 30 JKEAMM C=CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000065059862 569654995 /nfs/dbraw/zinc/65/49/95/569654995.db2.gz DMFQXDDDDFYHCL-UHFFFAOYSA-N -1 1 491.613 5.638 50 30 JKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000035450662 569696773 /nfs/dbraw/zinc/69/67/73/569696773.db2.gz JGYJXFGXIXLUMV-HXUWFJFHSA-N -1 1 483.634 5.126 50 30 JKEAMM CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000097952616 569747371 /nfs/dbraw/zinc/74/73/71/569747371.db2.gz RLCGFGLESMXZQU-NHKHRBQYSA-N -1 1 498.623 6.477 50 30 JKEAMM CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000097985245 569748440 /nfs/dbraw/zinc/74/84/40/569748440.db2.gz DRMXGSIIMZJKHL-UHFFFAOYSA-N -1 1 459.564 5.678 50 30 JKEAMM O=C([N-]c1ccccc1SC(F)(F)C(F)(F)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F ZINC000097993338 569748802 /nfs/dbraw/zinc/74/88/02/569748802.db2.gz MYYWLYCXXRTIRU-UHFFFAOYSA-N -1 1 487.265 6.517 50 30 JKEAMM [O-]c1c(Br)cc(Cc2ccccc2Cl)cc1/C=N/c1cccc2ccccc21 ZINC000100454878 569761598 /nfs/dbraw/zinc/76/15/98/569761598.db2.gz RVLJZTIVYXFMOV-JFLMPSFJSA-N -1 1 450.763 7.303 50 30 JKEAMM CCCCCCCCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(NC(=O)OC)nc3c2)cc1 ZINC000100951860 569777763 /nfs/dbraw/zinc/77/77/63/569777763.db2.gz KMIPOXZXDAOKSX-UHFFFAOYSA-N -1 1 474.583 5.281 50 30 JKEAMM O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069947 569781103 /nfs/dbraw/zinc/78/11/03/569781103.db2.gz GPMWFNRMQLWHSC-NHFXJNLRSA-N -1 1 468.734 5.729 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069947 569781104 /nfs/dbraw/zinc/78/11/04/569781104.db2.gz GPMWFNRMQLWHSC-NHFXJNLRSA-N -1 1 468.734 5.729 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072833 569781418 /nfs/dbraw/zinc/78/14/18/569781418.db2.gz OVPDWXHSSJXWNM-LFVOPCPISA-N -1 1 495.354 5.587 50 30 JKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1 ZINC000101072874 569781426 /nfs/dbraw/zinc/78/14/26/569781426.db2.gz LWCLAPKHAHUBBX-SELCWUDQSA-N -1 1 499.317 5.417 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)sc1C ZINC000101100214 569782739 /nfs/dbraw/zinc/78/27/39/569782739.db2.gz XYNAHMWAOQXKFU-GHNGSUTGSA-N -1 1 487.350 5.288 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000101101522 569782817 /nfs/dbraw/zinc/78/28/17/569782817.db2.gz ZYTDEGZCMDJJGN-WOOAAIBNSA-N -1 1 495.354 5.587 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000101287302 569789528 /nfs/dbraw/zinc/78/95/28/569789528.db2.gz PMVOXODZPGFDFP-NXLSWJSLSA-N -1 1 458.514 5.298 50 30 JKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101287779 569789688 /nfs/dbraw/zinc/78/96/88/569789688.db2.gz ACZFGGOTAICRIL-MOBKVPTQSA-N -1 1 491.341 5.035 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101287779 569789689 /nfs/dbraw/zinc/78/96/89/569789689.db2.gz ACZFGGOTAICRIL-MOBKVPTQSA-N -1 1 491.341 5.035 50 30 JKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000101294385 569790057 /nfs/dbraw/zinc/79/00/57/569790057.db2.gz VRJGKBBZTNVHSS-NPJIAGGLSA-N -1 1 466.493 5.327 50 30 JKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101314080 569792551 /nfs/dbraw/zinc/79/25/51/569792551.db2.gz GFVPDXRRTFQCOZ-MOBKVPTQSA-N -1 1 488.590 5.857 50 30 JKEAMM N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000040162364 569822982 /nfs/dbraw/zinc/82/29/82/569822982.db2.gz VQTGVHQCODRNET-KRWDZBQOSA-N -1 1 457.580 5.181 50 30 JKEAMM COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102857155 569824590 /nfs/dbraw/zinc/82/45/90/569824590.db2.gz KAECQKCDAJFPEQ-MRJHHRETSA-N -1 1 460.486 5.070 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102857155 569824591 /nfs/dbraw/zinc/82/45/91/569824591.db2.gz KAECQKCDAJFPEQ-MRJHHRETSA-N -1 1 460.486 5.070 50 30 JKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1 ZINC000102857189 569824612 /nfs/dbraw/zinc/82/46/12/569824612.db2.gz ANKOZLOQVUGXEM-MOBKVPTQSA-N -1 1 474.513 5.460 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1 ZINC000102857189 569824613 /nfs/dbraw/zinc/82/46/13/569824613.db2.gz ANKOZLOQVUGXEM-MOBKVPTQSA-N -1 1 474.513 5.460 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102859572 569824805 /nfs/dbraw/zinc/82/48/05/569824805.db2.gz DKPTWGHGJIJCJA-NHFXJNLRSA-N -1 1 464.905 5.715 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000102861686 569824981 /nfs/dbraw/zinc/82/49/81/569824981.db2.gz PUANGZHISMKGFN-HFEWCJDKSA-N -1 1 458.514 5.679 50 30 JKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102863083 569825141 /nfs/dbraw/zinc/82/51/41/569825141.db2.gz IMLXLLDUTGNMKX-JBCNATCCSA-N -1 1 478.932 6.024 50 30 JKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102863083 569825143 /nfs/dbraw/zinc/82/51/43/569825143.db2.gz IMLXLLDUTGNMKX-JBCNATCCSA-N -1 1 478.932 6.024 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000102863208 569825163 /nfs/dbraw/zinc/82/51/63/569825163.db2.gz IANOYSODGDSCSS-YDJIHCHBSA-N -1 1 480.542 5.522 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000102863208 569825165 /nfs/dbraw/zinc/82/51/65/569825165.db2.gz IANOYSODGDSCSS-YDJIHCHBSA-N -1 1 480.542 5.522 50 30 JKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102862622 569825245 /nfs/dbraw/zinc/82/52/45/569825245.db2.gz QEUBWQWBBAINCA-JBCNATCCSA-N -1 1 497.345 5.161 50 30 JKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102862622 569825246 /nfs/dbraw/zinc/82/52/46/569825246.db2.gz QEUBWQWBBAINCA-JBCNATCCSA-N -1 1 497.345 5.161 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2)cc1 ZINC000102864941 569825611 /nfs/dbraw/zinc/82/56/11/569825611.db2.gz ZBBYFGPIURDSAY-ZHHPLPSFSA-N -1 1 486.549 5.330 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000102865498 569825687 /nfs/dbraw/zinc/82/56/87/569825687.db2.gz CAYCWMYNCVUTGU-NHFXJNLRSA-N -1 1 482.895 5.854 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)cc1C ZINC000102868969 569825724 /nfs/dbraw/zinc/82/57/24/569825724.db2.gz HEERTFCUCUHPSX-AYWGPLOBSA-N -1 1 488.540 5.687 50 30 JKEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102872950 569826036 /nfs/dbraw/zinc/82/60/36/569826036.db2.gz IKCWOGGIQCWCCL-NHFXJNLRSA-N -1 1 462.329 5.060 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000102873932 569826079 /nfs/dbraw/zinc/82/60/79/569826079.db2.gz DKRHQVNBEMSQAC-AYWGPLOBSA-N -1 1 486.549 5.330 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102875796 569826437 /nfs/dbraw/zinc/82/64/37/569826437.db2.gz DXBDLTNNHAQFEW-IAMBOQNYSA-N -1 1 474.538 5.449 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000102927623 569827007 /nfs/dbraw/zinc/82/70/07/569827007.db2.gz ZWXZMSPNUSCUQX-MOBKVPTQSA-N -1 1 458.495 5.463 50 30 JKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102928265 569827172 /nfs/dbraw/zinc/82/71/72/569827172.db2.gz NCAUUKMCGYIGRE-MRJHHRETSA-N -1 1 494.931 5.724 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102928917 569827330 /nfs/dbraw/zinc/82/73/30/569827330.db2.gz XOBWDRUXCCBFEW-JBCNATCCSA-N -1 1 478.932 6.024 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C ZINC000102928860 569827435 /nfs/dbraw/zinc/82/74/35/569827435.db2.gz XIWSTYFKTWSQQX-LFVOPCPISA-N -1 1 452.601 5.745 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000102929739 569827903 /nfs/dbraw/zinc/82/79/03/569827903.db2.gz CUCVZVPPCRQSJM-ZHHPLPSFSA-N -1 1 470.550 5.630 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102930358 569827950 /nfs/dbraw/zinc/82/79/50/569827950.db2.gz OJJQCWPMBWSFRU-ASBZNUFUSA-N -1 1 499.375 6.439 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102930651 569828090 /nfs/dbraw/zinc/82/80/90/569828090.db2.gz PTEYJNTZDBELLY-HOGKFDNTSA-N -1 1 492.503 5.600 50 30 JKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102931906 569828573 /nfs/dbraw/zinc/82/85/73/569828573.db2.gz XFNUQMOXKWBZJW-NHFXJNLRSA-N -1 1 468.962 5.438 50 30 JKEAMM 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/nfs/dbraw/zinc/14/33/46/130143346.db2.gz KKZNKWXYHQVGOS-HOGKFDNTSA-N -1 1 474.513 5.379 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)cc1 ZINC000102493325 130147764 /nfs/dbraw/zinc/14/77/64/130147764.db2.gz GNERAGMQUSLPQX-MOBKVPTQSA-N -1 1 458.514 5.679 50 30 JKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102495049 130149202 /nfs/dbraw/zinc/14/92/02/130149202.db2.gz JXTPMKKUQLFATP-YDJIHCHBSA-N -1 1 484.961 5.057 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102495049 130149204 /nfs/dbraw/zinc/14/92/04/130149204.db2.gz JXTPMKKUQLFATP-YDJIHCHBSA-N -1 1 484.961 5.057 50 30 JKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102496105 130150321 /nfs/dbraw/zinc/15/03/21/130150321.db2.gz FHUYVPKNZCDCNQ-LFVOPCPISA-N -1 1 454.935 5.048 50 30 JKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102496105 130150324 /nfs/dbraw/zinc/15/03/24/130150324.db2.gz FHUYVPKNZCDCNQ-LFVOPCPISA-N -1 1 454.935 5.048 50 30 JKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102496604 130150756 /nfs/dbraw/zinc/15/07/56/130150756.db2.gz ZRDSIKOPQATZES-GHNGSUTGSA-N -1 1 481.486 5.031 50 30 JKEAMM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102497743 130151711 /nfs/dbraw/zinc/15/17/11/130151711.db2.gz QFVRXJWLZSUWAF-MOBKVPTQSA-N -1 1 490.512 5.079 50 30 JKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102497743 130151712 /nfs/dbraw/zinc/15/17/12/130151712.db2.gz QFVRXJWLZSUWAF-MOBKVPTQSA-N -1 1 490.512 5.079 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000102500132 130153989 /nfs/dbraw/zinc/15/39/89/130153989.db2.gz HLYLCIJEIRCRTO-YDJIHCHBSA-N -1 1 468.387 5.240 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102501465 130155534 /nfs/dbraw/zinc/15/55/34/130155534.db2.gz NFELDCVZQIEDJD-MRJHHRETSA-N -1 1 478.476 5.209 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102501195 130155562 /nfs/dbraw/zinc/15/55/62/130155562.db2.gz KCIBFHDPJBZZTB-JBCNATCCSA-N -1 1 492.578 5.310 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102502811 130156969 /nfs/dbraw/zinc/15/69/69/130156969.db2.gz DRELZSJKGJNHQU-BUANBSPESA-N -1 1 486.593 6.430 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccc2F)cc1Cl ZINC000102505606 130160028 /nfs/dbraw/zinc/16/00/28/130160028.db2.gz AQQOUXKCHSCMDH-LFVOPCPISA-N -1 1 472.925 5.187 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Cl)cc2)o1 ZINC000102506206 130160462 /nfs/dbraw/zinc/16/04/62/130160462.db2.gz WQTSHXOGQZXWFX-WOOAAIBNSA-N -1 1 468.893 5.617 50 30 JKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102506915 130161312 /nfs/dbraw/zinc/16/13/12/130161312.db2.gz HMNUZFWYNSOHIX-NHFXJNLRSA-N -1 1 484.961 5.144 50 30 JKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102506915 130161315 /nfs/dbraw/zinc/16/13/15/130161315.db2.gz HMNUZFWYNSOHIX-NHFXJNLRSA-N -1 1 484.961 5.144 50 30 JKEAMM COc1ccccc1[C@@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102507166 130161722 /nfs/dbraw/zinc/16/17/22/130161722.db2.gz PNPPZHVDMJKQRP-JBCNATCCSA-N -1 1 460.486 5.070 50 30 JKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102507166 130161725 /nfs/dbraw/zinc/16/17/25/130161725.db2.gz PNPPZHVDMJKQRP-JBCNATCCSA-N -1 1 460.486 5.070 50 30 JKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102509055 130163062 /nfs/dbraw/zinc/16/30/62/130163062.db2.gz QAYZEYAIHGWCBP-MOBKVPTQSA-N -1 1 488.565 5.822 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102509055 130163067 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COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccc2)c1 ZINC000001208941 553933026 /nfs/dbraw/zinc/93/30/26/553933026.db2.gz KRVFJFOKMRYXDO-OAQYLSRUSA-N -1 1 464.315 5.241 50 30 JKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000001436815 553971773 /nfs/dbraw/zinc/97/17/73/553971773.db2.gz BEYZIXQPFYPNAH-QFIPXVFZSA-N -1 1 476.326 5.435 50 30 JKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(O)c2)c1 ZINC000001450558 553973561 /nfs/dbraw/zinc/97/35/61/553973561.db2.gz MGVJPVJZEXWUMN-QHCPKHFHSA-N -1 1 486.549 5.410 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000001450647 553973706 /nfs/dbraw/zinc/97/37/06/553973706.db2.gz DPFKOISOUSMLLE-JOCHJYFZSA-N -1 1 474.538 5.552 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000001450647 553973710 /nfs/dbraw/zinc/97/37/10/553973710.db2.gz DPFKOISOUSMLLE-JOCHJYFZSA-N -1 1 474.538 5.552 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000001464667 553976227 /nfs/dbraw/zinc/97/62/27/553976227.db2.gz VZZIUWPVTBGONS-INIZCTEOSA-N -1 1 480.760 5.590 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000001477212 553976856 /nfs/dbraw/zinc/97/68/56/553976856.db2.gz IMCWNFMXBJNHDF-HXUWFJFHSA-N -1 1 475.551 5.483 50 30 JKEAMM CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Br)cc(Br)c2[O-])c1 ZINC000001923992 554005013 /nfs/dbraw/zinc/00/50/13/554005013.db2.gz PQKCQBSTPLKXIZ-ODCIPOBUSA-N -1 1 461.581 6.324 50 30 JKEAMM [O-]c1cc(/N=C/c2cc(Cl)cc(I)c2O)ccc1-c1nc2ccccc2o1 ZINC000002186530 554083258 /nfs/dbraw/zinc/08/32/58/554083258.db2.gz WDQFAFQKPBMZSZ-AUEPDCJTSA-N -1 1 490.684 5.915 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1Cl)C(=O)[N-]C2(C(F)(F)F)C(F)(F)F ZINC000002211008 554095045 /nfs/dbraw/zinc/09/50/45/554095045.db2.gz HFRQMDMZFMZJKJ-UHFFFAOYSA-N -1 1 454.798 5.372 50 30 JKEAMM CC[C@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000002260302 554121451 /nfs/dbraw/zinc/12/14/51/554121451.db2.gz OBONTDVRYOUOGG-ZXSUQFSISA-N -1 1 456.811 7.663 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccc5ccccc5c4[O-])nc3c1[C@@H]2c1ccccc1 ZINC000002435159 554207102 /nfs/dbraw/zinc/20/71/02/554207102.db2.gz UWXKTVCHYSNRKC-HSZRJFAPSA-N -1 1 488.547 5.818 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(Cl)cc3)[n-]c(=O)c1[C@H]2c1ccccc1 ZINC000004793512 554480670 /nfs/dbraw/zinc/48/06/70/554480670.db2.gz GROIQQLWQBONPL-FQEVSTJZSA-N -1 1 478.017 6.329 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000006406755 554533547 /nfs/dbraw/zinc/53/35/47/554533547.db2.gz ZCUNXQDXEKGJLI-JOCHJYFZSA-N -1 1 467.443 5.805 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000006406341 554533596 /nfs/dbraw/zinc/53/35/96/554533596.db2.gz ZCUNXQDXEKGJLI-QFIPXVFZSA-N -1 1 467.443 5.805 50 30 JKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000006406749 554533644 /nfs/dbraw/zinc/53/36/44/554533644.db2.gz XVIZQTHDEXETNL-HSZRJFAPSA-N -1 1 497.469 5.814 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000006406749 554533647 /nfs/dbraw/zinc/53/36/47/554533647.db2.gz XVIZQTHDEXETNL-HSZRJFAPSA-N -1 1 497.469 5.814 50 30 JKEAMM COc1c(Br)cc(C=Nn2c(=S)[nH]nc2-c2ccc(C)cc2)c([O-])c1Br ZINC000008384888 554568076 /nfs/dbraw/zinc/56/80/76/554568076.db2.gz COTMJZFIIDVHQW-DNTJNYDQSA-N -1 1 498.200 5.038 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000008738348 554639787 /nfs/dbraw/zinc/63/97/87/554639787.db2.gz WBOKJXWNJLJJTB-QFIPXVFZSA-N -1 1 477.586 5.540 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008738324 554639792 /nfs/dbraw/zinc/63/97/92/554639792.db2.gz NNJHEUKKTSZQQV-FQEVSTJZSA-N -1 1 494.569 5.436 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000008738347 554639803 /nfs/dbraw/zinc/63/98/03/554639803.db2.gz WBOKJXWNJLJJTB-JOCHJYFZSA-N -1 1 477.586 5.540 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008739853 554641577 /nfs/dbraw/zinc/64/15/77/554641577.db2.gz XQXIEEDXROCDCM-GOSISDBHSA-N -1 1 490.368 5.335 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000008740727 554642815 /nfs/dbraw/zinc/64/28/15/554642815.db2.gz GPFRQPLZZRHSME-QFIPXVFZSA-N -1 1 458.539 5.851 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000008740701 554642863 /nfs/dbraw/zinc/64/28/63/554642863.db2.gz HWOHLNYADPEDAO-QHCPKHFHSA-N -1 1 488.540 5.844 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008740859 554642884 /nfs/dbraw/zinc/64/28/84/554642884.db2.gz GPNRGGMHBFQCTM-NRFANRHFSA-N -1 1 460.511 5.243 50 30 JKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccs2)c1 ZINC000008740636 554642900 /nfs/dbraw/zinc/64/29/00/554642900.db2.gz ARPJIACEAYIHQN-HXUWFJFHSA-N -1 1 462.552 5.458 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008741082 554643495 /nfs/dbraw/zinc/64/34/95/554643495.db2.gz NGYRPAMFBRKLDS-HXUWFJFHSA-N -1 1 464.930 5.888 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000008742571 554645138 /nfs/dbraw/zinc/64/51/38/554645138.db2.gz QVPVNUALGDOFJH-JOCHJYFZSA-N -1 1 474.538 5.552 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000008742571 554645140 /nfs/dbraw/zinc/64/51/40/554645140.db2.gz QVPVNUALGDOFJH-JOCHJYFZSA-N -1 1 474.538 5.552 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccs3)sc2c1 ZINC000008742696 554645333 /nfs/dbraw/zinc/64/53/33/554645333.db2.gz MHDIDOMGHSRVSZ-OAQYLSRUSA-N -1 1 476.579 5.712 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000008744086 554647129 /nfs/dbraw/zinc/64/71/29/554647129.db2.gz YBXAXCGZNKKNSD-OAQYLSRUSA-N -1 1 476.579 5.712 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008744083 554647149 /nfs/dbraw/zinc/64/71/49/554647149.db2.gz AFGCDSNVWBJVJI-NRFANRHFSA-N -1 1 488.521 5.021 50 30 JKEAMM C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN[C@@H](CCSC)C(=O)[O-] ZINC000008763195 554663080 /nfs/dbraw/zinc/66/30/80/554663080.db2.gz LVEZIJYFNHXBKG-XWVGVURFSA-N -1 1 491.694 5.460 50 30 biogenic JKEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008772074 554671854 /nfs/dbraw/zinc/67/18/54/554671854.db2.gz SHQDPOKPGIIXQD-OAQYLSRUSA-N -1 1 495.373 5.826 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008772074 554671856 /nfs/dbraw/zinc/67/18/56/554671856.db2.gz SHQDPOKPGIIXQD-OAQYLSRUSA-N -1 1 495.373 5.826 50 30 JKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000008779368 554676744 /nfs/dbraw/zinc/67/67/44/554676744.db2.gz ZRFYZTNXNBEMHM-IBGZPJMESA-N -1 1 494.956 5.231 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000008816702 554698764 /nfs/dbraw/zinc/69/87/64/554698764.db2.gz IFOVDBTUQBZZSQ-FQEVSTJZSA-N -1 1 475.482 5.197 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008816855 554698995 /nfs/dbraw/zinc/69/89/95/554698995.db2.gz NMXIUSGRLXTBPG-IBGZPJMESA-N -1 1 466.902 5.334 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008817032 554699540 /nfs/dbraw/zinc/69/95/40/554699540.db2.gz TXXAPMZIVHGFTQ-NRFANRHFSA-N -1 1 489.484 5.435 50 30 JKEAMM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000008817098 554699574 /nfs/dbraw/zinc/69/95/74/554699574.db2.gz AAQBRWRYVGGKHX-JOCHJYFZSA-N -1 1 490.512 5.236 50 30 JKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000008817098 554699575 /nfs/dbraw/zinc/69/95/75/554699575.db2.gz AAQBRWRYVGGKHX-JOCHJYFZSA-N -1 1 490.512 5.236 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000008817769 554700834 /nfs/dbraw/zinc/70/08/34/554700834.db2.gz GVIKTKUOYDSPKE-INIZCTEOSA-N -1 1 475.751 5.342 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3F)sc2c1 ZINC000008818033 554701579 /nfs/dbraw/zinc/70/15/79/554701579.db2.gz OZAQKSIVTDJJDD-HXUWFJFHSA-N -1 1 480.542 5.679 50 30 JKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2ccc(F)cc2s1 ZINC000008818189 554701616 /nfs/dbraw/zinc/70/16/16/554701616.db2.gz IXRRGUVMAQIMRC-QFIPXVFZSA-N -1 1 474.513 5.535 50 30 JKEAMM CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N([O-])C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008818201 554701754 /nfs/dbraw/zinc/70/17/54/554701754.db2.gz LJNBQOKVDPBJGC-RHLNUJDMSA-N -1 1 491.620 5.012 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008827771 554717814 /nfs/dbraw/zinc/71/78/14/554717814.db2.gz SEJDLNDCJFHSQE-HSZRJFAPSA-N -1 1 456.498 5.810 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000008827782 554717891 /nfs/dbraw/zinc/71/78/91/554717891.db2.gz RSLYGUFSUVGFFP-HXUWFJFHSA-N -1 1 469.280 5.819 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Br)c2)no1 ZINC000008827777 554717939 /nfs/dbraw/zinc/71/79/39/554717939.db2.gz HCGAVPSFKRXFFM-HXUWFJFHSA-N -1 1 479.286 5.275 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008837333 554738115 /nfs/dbraw/zinc/73/81/15/554738115.db2.gz KSIPCGKLGHAQAK-IBGZPJMESA-N -1 1 466.515 5.288 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008837332 554738143 /nfs/dbraw/zinc/73/81/43/554738143.db2.gz KSIPCGKLGHAQAK-LJQANCHMSA-N -1 1 466.515 5.288 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008837889 554739070 /nfs/dbraw/zinc/73/90/70/554739070.db2.gz IKQGFFYJVITFTH-NRFANRHFSA-N -1 1 492.578 5.548 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008837889 554739072 /nfs/dbraw/zinc/73/90/72/554739072.db2.gz IKQGFFYJVITFTH-NRFANRHFSA-N -1 1 492.578 5.548 50 30 JKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccnc3)cc2)c1 ZINC000008845598 554743327 /nfs/dbraw/zinc/74/33/27/554743327.db2.gz LKWQWMQLVMFVAY-HSZRJFAPSA-N -1 1 483.549 5.208 50 30 JKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1Br ZINC000008846448 554744904 /nfs/dbraw/zinc/74/49/04/554744904.db2.gz HJZBUUAHBOTMLP-OAQYLSRUSA-N -1 1 498.760 5.899 50 30 JKEAMM COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)c1 ZINC000008846472 554745128 /nfs/dbraw/zinc/74/51/28/554745128.db2.gz SXZCXOOZTVLGKD-JOCHJYFZSA-N -1 1 478.342 5.549 50 30 JKEAMM 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Cc1ccc(NC(=O)Nc2ccccc2C#N)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000012564102 556059370 /nfs/dbraw/zinc/05/93/70/556059370.db2.gz CZUMJBUMSMQWNR-UHFFFAOYSA-N -1 1 488.541 5.626 50 30 JKEAMM Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(SC(F)F)cc4)c3)ccc2o1 ZINC000024842935 556160945 /nfs/dbraw/zinc/16/09/45/556160945.db2.gz IQNHGDFPQMQJHA-UHFFFAOYSA-N -1 1 489.525 5.888 50 30 JKEAMM Cc1ccc(NC(=O)c2[n-]cnc2N=C2SC[C@](O)(c3ccc(C)cc3)N2c2ccccc2)cc1 ZINC000016949343 556183545 /nfs/dbraw/zinc/18/35/45/556183545.db2.gz QFJVLIHAWHLXHA-YQOMWFLKSA-N -1 1 483.597 5.365 50 30 JKEAMM Cc1ccc(NC(=O)c2nc[n-]c2N=C2SC[C@](O)(c3ccc(C)cc3)N2c2ccccc2)cc1 ZINC000016949343 556183547 /nfs/dbraw/zinc/18/35/47/556183547.db2.gz QFJVLIHAWHLXHA-YQOMWFLKSA-N -1 1 483.597 5.365 50 30 JKEAMM COc1ccccc1[C@H]1c2c(=O)[n-]c(SCc3ccccc3Cl)nc2NC2=C1C(=O)CCC2 ZINC000016973139 556192143 /nfs/dbraw/zinc/19/21/43/556192143.db2.gz SGNKFLACYKTSMG-HXUWFJFHSA-N -1 1 479.989 5.701 50 30 JKEAMM O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000017177755 556232481 /nfs/dbraw/zinc/23/24/81/556232481.db2.gz GQLRWAWLNKMJHJ-IBGZPJMESA-N -1 1 451.498 5.317 50 30 JKEAMM O=C1CCCC2=C1[C@H](c1cccc(F)c1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000017177778 556232497 /nfs/dbraw/zinc/23/24/97/556232497.db2.gz ZONBZZLFZVVKIN-IBGZPJMESA-N -1 1 451.498 5.317 50 30 JKEAMM O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1c(=O)[n-]c(SCc3ccccc3Cl)nc1N2 ZINC000017177751 556232562 /nfs/dbraw/zinc/23/25/62/556232562.db2.gz YXXHYSGDHMEANE-IBGZPJMESA-N -1 1 467.953 5.832 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c1[C@@H]2c1ccccc1 ZINC000017242333 556243201 /nfs/dbraw/zinc/24/32/01/556243201.db2.gz JGHPAEFMJZVYQZ-HXUWFJFHSA-N -1 1 488.569 5.583 50 30 JKEAMM COc1ccccc1[C@H]1c2c(=O)[n-]c(SCc3ccccc3F)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000017242527 556243509 /nfs/dbraw/zinc/24/35/09/556243509.db2.gz QVGHRVYHGSUUKY-OAQYLSRUSA-N -1 1 491.588 5.823 50 30 JKEAMM CCOc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017307581 556255182 /nfs/dbraw/zinc/25/51/82/556255182.db2.gz RHUAZONFPBEAGQ-NRFANRHFSA-N -1 1 494.016 6.091 50 30 JKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)ccc1O ZINC000017860456 556269144 /nfs/dbraw/zinc/26/91/44/556269144.db2.gz XUGWQKIGTBOVEZ-OAQYLSRUSA-N -1 1 492.940 5.447 50 30 JKEAMM CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000027500986 556281673 /nfs/dbraw/zinc/28/16/73/556281673.db2.gz COLGLYNDEGIZDG-UVHMKAGCSA-N -1 1 473.356 6.952 50 30 JKEAMM O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000018210976 556311232 /nfs/dbraw/zinc/31/12/32/556311232.db2.gz PJNZHFUGWRUBIU-HXUWFJFHSA-N -1 1 452.279 5.371 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000018210976 556311236 /nfs/dbraw/zinc/31/12/36/556311236.db2.gz PJNZHFUGWRUBIU-HXUWFJFHSA-N -1 1 452.279 5.371 50 30 JKEAMM O=C1/C(=C/c2ccc([O-])c(Br)c2)CCC/C1=C\c1ccc(O)c(Br)c1 ZINC000028635315 556338742 /nfs/dbraw/zinc/33/87/42/556338742.db2.gz YOLKEKNTCBWPSD-VOMDNODZSA-N -1 1 464.153 5.843 50 30 in-vitro JKEAMM O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000032655150 556466207 /nfs/dbraw/zinc/46/62/07/556466207.db2.gz RMPMUWXMXLJUDN-LJQANCHMSA-N -1 1 467.953 5.419 50 30 JKEAMM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccccc3F)C2)cc1 ZINC000008695636 569593687 /nfs/dbraw/zinc/59/36/87/569593687.db2.gz CAELDANLKUNNJS-WRGVRERRSA-N -1 1 498.554 5.900 50 30 JKEAMM O=c1[n-]nc(Sc2cc(C(F)(F)F)c(C(F)(F)F)cn2)n1-c1ccccc1C(F)(F)F ZINC000095703752 569728578 /nfs/dbraw/zinc/72/85/78/569728578.db2.gz VGDBWQIYQKTOQC-UHFFFAOYSA-N -1 1 474.308 5.163 50 30 JKEAMM O=C([N-]C(Nc1ccccc1Cl)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F ZINC000095722691 569728684 /nfs/dbraw/zinc/72/86/84/569728684.db2.gz XLYPIWULOJWMNQ-UHFFFAOYSA-N -1 1 470.641 5.430 50 30 JKEAMM [O-]C(c1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)(C(F)(F)F)C(F)(F)F ZINC000095708009 569728695 /nfs/dbraw/zinc/72/86/95/569728695.db2.gz JCNFGVSJUHFARO-UHFFFAOYSA-N -1 1 486.252 5.978 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3sc(-c4ccccc4)nc3C)[C@H]2c2ccc(Cl)cc2)no1 ZINC000096193764 569737315 /nfs/dbraw/zinc/73/73/15/569737315.db2.gz SFNKDUDYEHSRFG-HXUWFJFHSA-N -1 1 491.956 5.851 50 30 JKEAMM CCCCCCCCCOc1ccc(-c2ccc3c(n2)CC[C@H](CCCCCCC)C3)c([O-])c1 ZINC000098044727 569750013 /nfs/dbraw/zinc/75/00/13/569750013.db2.gz XQLGTRHKZBYYMA-VWLOTQADSA-N -1 1 465.722 9.049 50 30 JKEAMM CCCCCCCCCOc1ccc(-c2ccc3c(n2)CC[C@@H](CCCCCCC)C3)c([O-])c1 ZINC000098044728 569750017 /nfs/dbraw/zinc/75/00/17/569750017.db2.gz XQLGTRHKZBYYMA-RUZDIDTESA-N -1 1 465.722 9.049 50 30 JKEAMM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)c(F)c1 ZINC000098072784 569750271 /nfs/dbraw/zinc/75/02/71/569750271.db2.gz LTLXNLZWCWMMRK-UHFFFAOYSA-N -1 1 466.172 5.427 50 30 JKEAMM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2Nc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000100050631 569751929 /nfs/dbraw/zinc/75/19/29/569751929.db2.gz IWLLKVZCYUDLOW-UFFVCSGVSA-N -1 1 457.786 5.264 50 30 JKEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O ZINC000100297598 569756938 /nfs/dbraw/zinc/75/69/38/569756938.db2.gz VPNTVQAEQLHUDA-JBCNATCCSA-N -1 1 469.415 5.046 50 30 JKEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O ZINC000100297598 569756940 /nfs/dbraw/zinc/75/69/40/569756940.db2.gz VPNTVQAEQLHUDA-JBCNATCCSA-N -1 1 469.415 5.046 50 30 JKEAMM O=C1C(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000100439752 569761231 /nfs/dbraw/zinc/76/12/31/569761231.db2.gz STROXNHZVZTLEX-NHFXJNLRSA-N -1 1 468.734 5.729 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000100439752 569761233 /nfs/dbraw/zinc/76/12/33/569761233.db2.gz STROXNHZVZTLEX-NHFXJNLRSA-N -1 1 468.734 5.729 50 30 JKEAMM CCCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc21 ZINC000100821867 569771384 /nfs/dbraw/zinc/77/13/84/569771384.db2.gz DJNPYGLSNJGSNO-UHFFFAOYSA-N -1 1 487.618 6.458 50 30 JKEAMM CCCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000100821871 569771487 /nfs/dbraw/zinc/77/14/87/569771487.db2.gz FBHLUEAQUVSQGP-UHFFFAOYSA-N -1 1 478.010 6.713 50 30 JKEAMM O=C1c2ccccc2C(Nc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)=C1c1ccccc1 ZINC000100946915 569777408 /nfs/dbraw/zinc/77/74/08/569777408.db2.gz UAYFCLVWLYEALV-UHFFFAOYSA-N -1 1 463.377 6.176 50 30 JKEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)sc1C ZINC000101069957 569781012 /nfs/dbraw/zinc/78/10/12/569781012.db2.gz GLXONAZVUFOAPZ-SELCWUDQSA-N -1 1 469.360 5.149 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)sc1C ZINC000101069957 569781014 /nfs/dbraw/zinc/78/10/14/569781014.db2.gz GLXONAZVUFOAPZ-SELCWUDQSA-N -1 1 469.360 5.149 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Br)cc2)sc1C ZINC000101069995 569781072 /nfs/dbraw/zinc/78/10/72/569781072.db2.gz PDIDYEXYURGWFM-UYTDBDHRSA-N -1 1 475.389 5.210 50 30 JKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069797 569781081 /nfs/dbraw/zinc/78/10/81/569781081.db2.gz MSSBUFLFOIVJLF-JBCNATCCSA-N -1 1 482.761 6.037 50 30 JKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069797 569781082 /nfs/dbraw/zinc/78/10/82/569781082.db2.gz MSSBUFLFOIVJLF-JBCNATCCSA-N -1 1 482.761 6.037 50 30 JKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069799 569781090 /nfs/dbraw/zinc/78/10/90/569781090.db2.gz MSSBUFLFOIVJLF-MRJHHRETSA-N -1 1 482.761 6.037 50 30 JKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069799 569781091 /nfs/dbraw/zinc/78/10/91/569781091.db2.gz MSSBUFLFOIVJLF-MRJHHRETSA-N -1 1 482.761 6.037 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000101069804 569781115 /nfs/dbraw/zinc/78/11/15/569781115.db2.gz KZBIZKZWGMAARX-YDJIHCHBSA-N -1 1 486.724 5.868 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Br)cc2)no1 ZINC000101072970 569781374 /nfs/dbraw/zinc/78/13/74/569781374.db2.gz DWNDGPYZIOCTJP-YDJIHCHBSA-N -1 1 479.286 5.118 50 30 JKEAMM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000101096625 569782455 /nfs/dbraw/zinc/78/24/55/569782455.db2.gz ABUZQSOHRNCQMM-YDJIHCHBSA-N -1 1 491.366 5.685 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000101096625 569782456 /nfs/dbraw/zinc/78/24/56/569782456.db2.gz ABUZQSOHRNCQMM-YDJIHCHBSA-N -1 1 491.366 5.685 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000101100197 569782716 /nfs/dbraw/zinc/78/27/16/569782716.db2.gz OSDSMGHRJUEMTM-GHNGSUTGSA-N -1 1 473.710 5.025 50 30 JKEAMM O=C1C(=O)N(c2cccc(Br)c2)[C@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000101104147 569783045 /nfs/dbraw/zinc/78/30/45/569783045.db2.gz XDTQAIPDOQAPQZ-YDJIHCHBSA-N -1 1 452.279 5.215 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000101104147 569783047 /nfs/dbraw/zinc/78/30/47/569783047.db2.gz XDTQAIPDOQAPQZ-YDJIHCHBSA-N -1 1 452.279 5.215 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101287784 569789700 /nfs/dbraw/zinc/78/97/00/569789700.db2.gz GOEYGMFZKAXBHJ-WOOAAIBNSA-N -1 1 497.370 5.097 50 30 JKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294476 569790107 /nfs/dbraw/zinc/79/01/07/569790107.db2.gz XNYJHIDKSMVMRK-ZHHPLPSFSA-N -1 1 486.549 5.643 50 30 JKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101314036 569792520 /nfs/dbraw/zinc/79/25/20/569792520.db2.gz QXGYAGKMZMTBIU-AYWGPLOBSA-N -1 1 486.549 5.643 50 30 JKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101314036 569792521 /nfs/dbraw/zinc/79/25/21/569792521.db2.gz QXGYAGKMZMTBIU-AYWGPLOBSA-N -1 1 486.549 5.643 50 30 JKEAMM O=c1[nH]c2c(-c3nc(-c4ccc(F)cc4)cs3)c([O-])cn2c2scc(-c3ccccc3)c21 ZINC000102325790 569812428 /nfs/dbraw/zinc/81/24/28/569812428.db2.gz HGFAXBVHQJJBTB-UHFFFAOYSA-N -1 1 459.527 5.179 50 30 JKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102856634 569824512 /nfs/dbraw/zinc/82/45/12/569824512.db2.gz GSLRLYVRLARILY-MOBKVPTQSA-N -1 1 466.921 5.442 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000102857082 569824596 /nfs/dbraw/zinc/82/45/96/569824596.db2.gz CNZYHNZFJCYFSU-HOGKFDNTSA-N -1 1 490.968 5.975 50 30 JKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1 ZINC000102857191 569824609 /nfs/dbraw/zinc/82/46/09/569824609.db2.gz ANKOZLOQVUGXEM-HOGKFDNTSA-N -1 1 474.513 5.460 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1 ZINC000102857191 569824610 /nfs/dbraw/zinc/82/46/10/569824610.db2.gz ANKOZLOQVUGXEM-HOGKFDNTSA-N -1 1 474.513 5.460 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102856676 569824635 /nfs/dbraw/zinc/82/46/35/569824635.db2.gz KIRMDESYXJYTJF-LFVOPCPISA-N -1 1 477.523 5.201 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000102861685 569825025 /nfs/dbraw/zinc/82/50/25/569825025.db2.gz PUANGZHISMKGFN-IAMBOQNYSA-N -1 1 458.514 5.679 50 30 JKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000102862709 569825254 /nfs/dbraw/zinc/82/52/54/569825254.db2.gz QFBUHSNGSWUJBC-BUANBSPESA-N -1 1 488.540 5.687 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)cc1C ZINC000102868967 569825750 /nfs/dbraw/zinc/82/57/50/569825750.db2.gz HEERTFCUCUHPSX-ZHHPLPSFSA-N -1 1 488.540 5.687 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000102873161 569825895 /nfs/dbraw/zinc/82/58/95/569825895.db2.gz VAASGYQMOOVWJW-WOOAAIBNSA-N -1 1 472.925 5.187 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102874675 569826085 /nfs/dbraw/zinc/82/60/85/569826085.db2.gz WNPCWBMPHYLOJQ-MOBKVPTQSA-N -1 1 497.016 6.172 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102873937 569826140 /nfs/dbraw/zinc/82/61/40/569826140.db2.gz KGZUFTDTFQZXMA-IAMBOQNYSA-N -1 1 485.521 5.448 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102874673 569826265 /nfs/dbraw/zinc/82/62/65/569826265.db2.gz WNPCWBMPHYLOJQ-HOGKFDNTSA-N -1 1 497.016 6.172 50 30 JKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102874817 569826399 /nfs/dbraw/zinc/82/63/99/569826399.db2.gz VGACVGYWAPSHJJ-JBCNATCCSA-N -1 1 492.578 5.310 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102875988 569826471 /nfs/dbraw/zinc/82/64/71/569826471.db2.gz CGLHVZYKRDVNFK-WOOAAIBNSA-N -1 1 469.722 5.124 50 30 JKEAMM O=C1C(=O)N(c2nccs2)[C@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccccc1 ZINC000102876180 569826564 /nfs/dbraw/zinc/82/65/64/569826564.db2.gz BYWUCYSUHLEXII-HOGKFDNTSA-N -1 1 454.507 5.562 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000102876180 569826567 /nfs/dbraw/zinc/82/65/67/569826567.db2.gz BYWUCYSUHLEXII-HOGKFDNTSA-N -1 1 454.507 5.562 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3F)sc2c1 ZINC000102928239 569827114 /nfs/dbraw/zinc/82/71/14/569827114.db2.gz PHVFHRDYEXTVTE-YDJIHCHBSA-N -1 1 480.542 5.522 50 30 JKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102928263 569827151 /nfs/dbraw/zinc/82/71/51/569827151.db2.gz NCAUUKMCGYIGRE-JBCNATCCSA-N -1 1 494.931 5.724 50 30 JKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000102928632 569827477 /nfs/dbraw/zinc/82/74/77/569827477.db2.gz BQAVKORZZRATFJ-ASBZNUFUSA-N -1 1 464.543 5.740 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000102928632 569827478 /nfs/dbraw/zinc/82/74/78/569827478.db2.gz BQAVKORZZRATFJ-ASBZNUFUSA-N -1 1 464.543 5.740 50 30 JKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102929703 569827794 /nfs/dbraw/zinc/82/77/94/569827794.db2.gz ITJLUSUROWASOD-IAMBOQNYSA-N -1 1 476.504 5.818 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102929703 569827796 /nfs/dbraw/zinc/82/77/96/569827796.db2.gz ITJLUSUROWASOD-IAMBOQNYSA-N -1 1 476.504 5.818 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000102929742 569827914 /nfs/dbraw/zinc/82/79/14/569827914.db2.gz CUCVZVPPCRQSJM-AYWGPLOBSA-N -1 1 470.550 5.630 50 30 JKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102930146 569828018 /nfs/dbraw/zinc/82/80/18/569828018.db2.gz VIFQCDUVERJQKB-BUANBSPESA-N -1 1 498.560 5.326 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102929986 569828079 /nfs/dbraw/zinc/82/80/79/569828079.db2.gz XGXZLZCGDGDMAQ-WOOAAIBNSA-N -1 1 494.569 5.145 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102930390 569828106 /nfs/dbraw/zinc/82/81/06/569828106.db2.gz HQJGLAQTORUYTL-YDJIHCHBSA-N -1 1 462.552 5.301 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000102930773 569828227 /nfs/dbraw/zinc/82/82/27/569828227.db2.gz DXYHZMKXNWWEBT-YDJIHCHBSA-N -1 1 466.440 5.340 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102931319 569828393 /nfs/dbraw/zinc/82/83/93/569828393.db2.gz YOBBYNSMQXJTOK-AYWGPLOBSA-N -1 1 486.549 5.248 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102931229 569828454 /nfs/dbraw/zinc/82/84/54/569828454.db2.gz BUDHECPAZSDKEI-MOBKVPTQSA-N -1 1 493.357 5.259 50 30 JKEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102931587 569828460 /nfs/dbraw/zinc/82/84/60/569828460.db2.gz GBUYBVSYEODCHW-NXLSWJSLSA-N -1 1 494.519 5.182 50 30 JKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102931714 569828617 /nfs/dbraw/zinc/82/86/17/569828617.db2.gz YFMXUHMWRLITEH-SBXHHDGASA-N -1 1 494.519 5.326 50 30 JKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102932589 569828835 /nfs/dbraw/zinc/82/88/35/569828835.db2.gz LMZYFRNEVRGCGW-WOOAAIBNSA-N -1 1 499.386 5.157 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102932589 569828837 /nfs/dbraw/zinc/82/88/37/569828837.db2.gz LMZYFRNEVRGCGW-WOOAAIBNSA-N -1 1 499.386 5.157 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000102933256 569829026 /nfs/dbraw/zinc/82/90/26/569829026.db2.gz LPCIEZPOZKOLHI-YDJIHCHBSA-N -1 1 493.447 5.109 50 30 JKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000102933232 569829032 /nfs/dbraw/zinc/82/90/32/569829032.db2.gz HEDWBVVMZCQJCJ-WOOAAIBNSA-N -1 1 484.961 5.057 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000102933232 569829033 /nfs/dbraw/zinc/82/90/33/569829033.db2.gz HEDWBVVMZCQJCJ-WOOAAIBNSA-N -1 1 484.961 5.057 50 30 JKEAMM CCN(Cc1ccccc1)c1ccc([C@@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CCC3)cc1 ZINC000044973830 569839832 /nfs/dbraw/zinc/83/98/32/569839832.db2.gz QQEMCQOTIDCHCM-NRFANRHFSA-N -1 1 458.587 5.436 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000104105132 569841118 /nfs/dbraw/zinc/84/11/18/569841118.db2.gz LFYLSCXJLMIIKK-MRJHHRETSA-N -1 1 482.414 5.548 50 30 JKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104134779 569841862 /nfs/dbraw/zinc/84/18/62/569841862.db2.gz DELCMMPIHZCZIX-MOBKVPTQSA-N -1 1 476.872 5.077 50 30 JKEAMM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000104236347 569843850 /nfs/dbraw/zinc/84/38/50/569843850.db2.gz ZLTVJRNOBIHQAF-WOOAAIBNSA-N -1 1 452.963 5.720 50 30 JKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000104236347 569843851 /nfs/dbraw/zinc/84/38/51/569843851.db2.gz ZLTVJRNOBIHQAF-WOOAAIBNSA-N -1 1 452.963 5.720 50 30 JKEAMM CCCCCCCCOc1ccc([C@H](CC(=O)OC)C2=C([O-])C(=O)c3ccccc3C2=O)cc1 ZINC000217811552 569881698 /nfs/dbraw/zinc/88/16/98/569881698.db2.gz BTZRLEVHVFGPST-QHCPKHFHSA-N -1 1 464.558 5.964 50 30 biogenic JKEAMM COc1cccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc([O-])c(Cl)c3)CC(=O)O4)C2=O)c1OC ZINC000217971956 569882319 /nfs/dbraw/zinc/88/23/19/569882319.db2.gz RZLDZUXPJKURBQ-NBZOHKLQSA-N -1 1 478.884 5.120 50 30 biogenic JKEAMM Cc1cc(Br)c([O-])c(C=Nc2ccc3oc(-c4ccnc(Br)c4)nc3c2)c1 ZINC000252593991 570084305 /nfs/dbraw/zinc/08/43/05/570084305.db2.gz BODIGIYKOQXHMP-UHFFFAOYSA-N -1 1 487.151 6.179 50 30 JKEAMM COc1cc(C=Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc(Br)c1[O-] ZINC000252605128 570085442 /nfs/dbraw/zinc/08/54/42/570085442.db2.gz GGCGZVAYUAHMAZ-UHFFFAOYSA-N -1 1 482.403 5.405 50 30 JKEAMM O=C1/C(=C/c2ccc([O-])c(Br)c2)SC(=Nc2ccccc2)N1Cc1ccccc1 ZINC000252621694 570087415 /nfs/dbraw/zinc/08/74/15/570087415.db2.gz NESOAEXYHGXFKE-RFWMZAAKSA-N -1 1 465.372 5.959 50 30 JKEAMM [O-]c1c(C=Nc2ccc3oc(-c4ccccc4)nc3c2)cc(Br)c(O)c1Br ZINC000252636759 570090048 /nfs/dbraw/zinc/09/00/48/570090048.db2.gz XMJZFDQNXVCXMP-UHFFFAOYSA-N -1 1 488.135 6.182 50 30 JKEAMM CO[C@]1(/C(C)=N/[O-])[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253501635 570102481 /nfs/dbraw/zinc/10/24/81/570102481.db2.gz GXDRQKRSEWVQDF-HJKXMAOMSA-N -1 1 481.633 5.381 50 30 JKEAMM CO[C@]1(/C(C)=N/[O-])[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253501638 570102486 /nfs/dbraw/zinc/10/24/86/570102486.db2.gz GXDRQKRSEWVQDF-PAJBLDNGSA-N -1 1 481.633 5.381 50 30 JKEAMM CCCCCCCCOc1ccc(-c2c3cnn(C)c3[nH]c3c2oc2cc([O-])cc(=O)c23)cc1 ZINC000263585322 570171115 /nfs/dbraw/zinc/17/11/15/570171115.db2.gz HIMVVUFAUYLKNZ-UHFFFAOYSA-N -1 1 459.546 6.685 50 30 biogenic JKEAMM CCCCCCCCCn1c([O-])c(C(=O)Nc2ccc(C)cc2Br)c(=O)c2ccccc21 ZINC000002590901 194162400 /nfs/dbraw/zinc/16/24/00/194162400.db2.gz KBOUZDOKURHPMG-UHFFFAOYSA-N -1 1 499.449 6.781 50 30 JKEAMM C[C@H]1CCCC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002938411 194174305 /nfs/dbraw/zinc/17/43/05/194174305.db2.gz GYZVCLKVGZRPEX-IFXJQAMLSA-N -1 1 451.386 5.133 50 30 JKEAMM O=C(NCCC1=CCCCC1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002938424 194174325 /nfs/dbraw/zinc/17/43/25/194174325.db2.gz XGKGFFKVIJARJK-UHFFFAOYSA-N -1 1 463.397 5.445 50 30 JKEAMM CN1c2ccccc2C(C)(C)/C1=C\C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000003183469 194235593 /nfs/dbraw/zinc/23/55/93/194235593.db2.gz RNULFFDJGGHUOI-LFVJCYFKSA-N -1 1 466.990 5.635 50 30 JKEAMM Cc1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1 ZINC000003113139 194226950 /nfs/dbraw/zinc/22/69/50/194226950.db2.gz XXSKUMCQWQIFPL-KIBLKLHPSA-N -1 1 476.157 7.329 50 30 JKEAMM Cc1c(Cl)c(C)c(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)c(O)c1Br ZINC000003114155 194227466 /nfs/dbraw/zinc/22/74/66/194227466.db2.gz LJUWONOAQHFOEJ-KIBLKLHPSA-N -1 1 471.738 6.689 50 30 JKEAMM Cc1cccc2oc(-c3cccc(/N=C/c4c(C)c(Cl)c(C)c([N+](=O)[O-])c4[O-])c3O)nc21 ZINC000003114271 194227615 /nfs/dbraw/zinc/22/76/15/194227615.db2.gz XTKWCUDXTTVSRO-KIBLKLHPSA-N -1 1 451.866 6.143 50 30 JKEAMM Cc1cccc2oc(-c3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3[O-])nc21 ZINC000003114186 194227625 /nfs/dbraw/zinc/22/76/25/194227625.db2.gz NFZRXPSUDWAHCS-YSURURNPSA-N -1 1 457.711 6.381 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102368624 130122027 /nfs/dbraw/zinc/12/20/27/130122027.db2.gz KLYJDYAUAUUOSF-SBXHHDGASA-N -1 1 474.557 5.694 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000102369331 130124129 /nfs/dbraw/zinc/12/41/29/130124129.db2.gz JOIIEIPQHWEIIO-MOBKVPTQSA-N -1 1 477.586 5.383 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102483791 130137425 /nfs/dbraw/zinc/13/74/25/130137425.db2.gz LYASMHBMVBBCCT-MRJHHRETSA-N -1 1 460.942 5.884 50 30 JKEAMM COc1cccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102484671 130138990 /nfs/dbraw/zinc/13/89/90/130138990.db2.gz IOGWSDRZOPWDCL-PGVNHDJNSA-N -1 1 460.511 5.141 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102484671 130138993 /nfs/dbraw/zinc/13/89/93/130138993.db2.gz IOGWSDRZOPWDCL-PGVNHDJNSA-N -1 1 460.511 5.141 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102485464 130139561 /nfs/dbraw/zinc/13/95/61/130139561.db2.gz KYAYDOPDIVHTRA-JBCNATCCSA-N -1 1 462.477 5.509 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102494452 130148674 /nfs/dbraw/zinc/14/86/74/130148674.db2.gz LARJTALPPCATPT-NXLSWJSLSA-N -1 1 486.568 6.494 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102499112 130153093 /nfs/dbraw/zinc/15/30/93/130153093.db2.gz REOLICKNHBERAG-MRJHHRETSA-N -1 1 489.484 5.278 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102504733 130158948 /nfs/dbraw/zinc/15/89/48/130158948.db2.gz MUCIYVKYLQZJSP-JBCNATCCSA-N -1 1 478.932 6.024 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102504723 130159070 /nfs/dbraw/zinc/15/90/70/130159070.db2.gz MUCIYVKYLQZJSP-MRJHHRETSA-N -1 1 478.932 6.024 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102509522 130163423 /nfs/dbraw/zinc/16/34/23/130163423.db2.gz JZRMJIDXWHWRGC-BUANBSPESA-N -1 1 488.540 5.687 50 30 JKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102512031 130165983 /nfs/dbraw/zinc/16/59/83/130165983.db2.gz NFOLWCXRDJLDRQ-IAMBOQNYSA-N -1 1 492.959 6.332 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102512031 130165986 /nfs/dbraw/zinc/16/59/86/130165986.db2.gz NFOLWCXRDJLDRQ-IAMBOQNYSA-N -1 1 492.959 6.332 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(C)cc2)cc1OC ZINC000102511974 130166028 /nfs/dbraw/zinc/16/60/28/130166028.db2.gz DBECZXGTWLAALG-ZHHPLPSFSA-N -1 1 463.917 5.292 50 30 JKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Cl)cc1 ZINC000102513383 130167221 /nfs/dbraw/zinc/16/72/21/130167221.db2.gz QGPZGHAFCJGCGE-SELCWUDQSA-N -1 1 470.934 5.777 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)sc1C ZINC000102516608 130170008 /nfs/dbraw/zinc/17/00/08/130170008.db2.gz JXOTWYLBYVOWAX-GHNGSUTGSA-N -1 1 487.350 5.288 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102518112 130171284 /nfs/dbraw/zinc/17/12/84/130171284.db2.gz ZTFXXZRHKUSGBO-WOOAAIBNSA-N -1 1 482.970 5.646 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3F)sc2c1 ZINC000102525014 130177543 /nfs/dbraw/zinc/17/75/43/130177543.db2.gz KTRHHGCCCJJKQN-JBCNATCCSA-N -1 1 462.477 5.509 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102527427 130179635 /nfs/dbraw/zinc/17/96/35/130179635.db2.gz BRXPEFJKXVSMBN-HOGKFDNTSA-N -1 1 474.969 6.193 50 30 JKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102528414 130180855 /nfs/dbraw/zinc/18/08/55/130180855.db2.gz SQYKPFLCUYRONJ-CJJGVWJISA-N -1 1 496.519 5.800 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102528414 130180861 /nfs/dbraw/zinc/18/08/61/130180861.db2.gz SQYKPFLCUYRONJ-CJJGVWJISA-N -1 1 496.519 5.800 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Cl)c2)o1 ZINC000102529290 130182265 /nfs/dbraw/zinc/18/22/65/130182265.db2.gz CWZULXFISJZUDS-OBVHCKHUSA-N -1 1 478.957 6.094 50 30 JKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(F)c3)nc2c(C)c1 ZINC000102529391 130182822 /nfs/dbraw/zinc/18/28/22/130182822.db2.gz GMWDDDSIYRNFRV-QOJBNDRUSA-N -1 1 464.543 5.740 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(F)c3)nc2c(C)c1 ZINC000102529391 130182824 /nfs/dbraw/zinc/18/28/24/130182824.db2.gz GMWDDDSIYRNFRV-QOJBNDRUSA-N -1 1 464.543 5.740 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)sc1C ZINC000102531664 130184941 /nfs/dbraw/zinc/18/49/41/130184941.db2.gz NJJYBCPBNXWNFW-GHNGSUTGSA-N -1 1 459.354 5.693 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102537952 130192815 /nfs/dbraw/zinc/19/28/15/130192815.db2.gz MLWVGOZNWJYTHQ-HFEWCJDKSA-N -1 1 485.521 5.448 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102540098 130195093 /nfs/dbraw/zinc/19/50/93/130195093.db2.gz HVUKGQYEWQPYPR-IAMBOQNYSA-N -1 1 458.514 5.679 50 30 JKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1 ZINC000102540206 130195235 /nfs/dbraw/zinc/19/52/35/130195235.db2.gz BQKAOFANONVUCD-HOGKFDNTSA-N -1 1 490.968 5.893 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102540942 130196391 /nfs/dbraw/zinc/19/63/91/130196391.db2.gz LRVZFYHQJWCEBF-WOOAAIBNSA-N -1 1 489.380 5.702 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102542465 130198522 /nfs/dbraw/zinc/19/85/22/130198522.db2.gz NYKZBYNLOMGAAH-MRJHHRETSA-N -1 1 498.988 5.447 50 30 JKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102547049 130201586 /nfs/dbraw/zinc/20/15/86/130201586.db2.gz YBYQUQGOLHBMKV-YDJIHCHBSA-N -1 1 489.578 5.358 50 30 JKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccco1 ZINC000102550262 130203303 /nfs/dbraw/zinc/20/33/03/130203303.db2.gz RUQGEJJSAGMCOD-HVESIFNPSA-N -1 1 481.580 5.111 50 30 JKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102552940 130204696 /nfs/dbraw/zinc/20/46/96/130204696.db2.gz SOQNORTZPIAHOJ-SBXHHDGASA-N -1 1 498.560 5.311 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102559771 130209009 /nfs/dbraw/zinc/20/90/09/130209009.db2.gz IEYGYPNVEVLAOL-SBXHHDGASA-N -1 1 460.530 5.522 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000102567843 130212425 /nfs/dbraw/zinc/21/24/25/130212425.db2.gz WFUSZOHJOSYQBW-NHFXJNLRSA-N -1 1 475.825 6.124 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccccc2F)cc1 ZINC000102580031 130215927 /nfs/dbraw/zinc/21/59/27/130215927.db2.gz OAXFLONYJPQQFX-MRJHHRETSA-N -1 1 471.406 5.479 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)c(OC)c1 ZINC000102580841 130216399 /nfs/dbraw/zinc/21/63/99/130216399.db2.gz NQQHDIHICALJCZ-AYWGPLOBSA-N -1 1 463.917 5.292 50 30 JKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1cccc(Br)c1 ZINC000102582158 130216930 /nfs/dbraw/zinc/21/69/30/130216930.db2.gz ZZNYISAFXYSDFP-MRJHHRETSA-N -1 1 464.315 5.084 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000102590479 130218405 /nfs/dbraw/zinc/21/84/05/130218405.db2.gz WUAAGWFSKWBAIR-NHFXJNLRSA-N -1 1 459.370 5.610 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102592720 130218501 /nfs/dbraw/zinc/21/85/01/130218501.db2.gz ACVNHEDHPRWRMR-JBCNATCCSA-N -1 1 455.407 5.779 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000102600975 130220715 /nfs/dbraw/zinc/22/07/15/130220715.db2.gz RYTBUWSLGWDXMH-NHFXJNLRSA-N -1 1 452.825 5.014 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102649449 130230787 /nfs/dbraw/zinc/23/07/87/130230787.db2.gz ZJMSHVHMDYRTGP-LFVOPCPISA-N -1 1 469.722 5.124 50 30 JKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102667038 130235041 /nfs/dbraw/zinc/23/50/41/130235041.db2.gz UTHNNXRLJCRVLR-LDQGIYSBSA-N -1 1 487.364 5.400 50 30 JKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102689863 130237841 /nfs/dbraw/zinc/23/78/41/130237841.db2.gz TYOVMIHDFASCEZ-NPJIAGGLSA-N -1 1 468.509 5.551 50 30 JKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102691776 130238714 /nfs/dbraw/zinc/23/87/14/130238714.db2.gz ZVHXAPAIBGDCNP-LFVOPCPISA-N -1 1 494.569 5.063 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102692977 130239558 /nfs/dbraw/zinc/23/95/58/130239558.db2.gz PBPDAGQDBZESTJ-JBCNATCCSA-N -1 1 487.339 5.705 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102692972 130239570 /nfs/dbraw/zinc/23/95/70/130239570.db2.gz PBPDAGQDBZESTJ-MRJHHRETSA-N -1 1 487.339 5.705 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102694591 130240925 /nfs/dbraw/zinc/24/09/25/130240925.db2.gz DDWJGMCCHVDUMW-JBCNATCCSA-N -1 1 450.922 5.560 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102698800 130245419 /nfs/dbraw/zinc/24/54/19/130245419.db2.gz UQTQLMYXPAYHEO-YDJIHCHBSA-N -1 1 494.569 5.279 50 30 JKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102701593 130247134 /nfs/dbraw/zinc/24/71/34/130247134.db2.gz GKEUWXANWCICGO-YDJIHCHBSA-N -1 1 494.544 5.127 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102704056 130249061 /nfs/dbraw/zinc/24/90/61/130249061.db2.gz VNTWEAGBXTYKSR-MOBKVPTQSA-N -1 1 490.606 5.945 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102704088 130249177 /nfs/dbraw/zinc/24/91/77/130249177.db2.gz DFQPGLJOBKHXSB-ZHHPLPSFSA-N -1 1 460.530 5.306 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102708130 130254471 /nfs/dbraw/zinc/25/44/71/130254471.db2.gz IPQCYLKUYIPQSD-JBCNATCCSA-N -1 1 497.345 5.161 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102715086 130261179 /nfs/dbraw/zinc/26/11/79/130261179.db2.gz NPTNRYLQEUCTFB-MRJHHRETSA-N -1 1 497.345 5.161 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000102771536 130296808 /nfs/dbraw/zinc/29/68/08/130296808.db2.gz WDXQDGJEOQSLJQ-CTVAMRBASA-N -1 1 488.590 5.616 50 30 JKEAMM 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Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Cl)cc4s3)[C@@H]2c2ccccc2F)o1 ZINC000001136833 553915155 /nfs/dbraw/zinc/91/51/55/553915155.db2.gz JDBOMAZVKJLDCN-LJQANCHMSA-N -1 1 468.893 5.773 50 30 JKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000001153788 553917441 /nfs/dbraw/zinc/91/74/41/553917441.db2.gz UUWGFTCTMJAXGB-LJQANCHMSA-N -1 1 454.935 5.367 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)cc1OC ZINC000001186068 553930598 /nfs/dbraw/zinc/93/05/98/553930598.db2.gz MUKMFQBGGUXOAW-JOCHJYFZSA-N -1 1 494.341 5.249 50 30 JKEAMM COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000001199102 553931387 /nfs/dbraw/zinc/93/13/87/553931387.db2.gz GVTYCMUGGLAXPI-QFIPXVFZSA-N -1 1 483.442 5.506 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000001199102 553931392 /nfs/dbraw/zinc/93/13/92/553931392.db2.gz GVTYCMUGGLAXPI-QFIPXVFZSA-N -1 1 483.442 5.506 50 30 JKEAMM 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CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000001450621 553973757 /nfs/dbraw/zinc/97/37/57/553973757.db2.gz YGDFLKVWEZJSJD-HSZRJFAPSA-N -1 1 470.550 5.650 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OC(C)C)cc2)no1 ZINC000001450449 553973814 /nfs/dbraw/zinc/97/38/14/553973814.db2.gz BUZJUIODRPQNBF-OAQYLSRUSA-N -1 1 452.894 5.207 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000001464100 553976255 /nfs/dbraw/zinc/97/62/55/553976255.db2.gz GDSOAUKDQRTUJY-SANMLTNESA-N -1 1 478.504 5.665 50 30 JKEAMM CCCCCCCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1[O-] ZINC000001905752 554002383 /nfs/dbraw/zinc/00/23/83/554002383.db2.gz FQWAPWFXOLJZRU-UHFFFAOYSA-N -1 1 495.259 6.849 50 30 JKEAMM Cc1ccc(C)c(/N=C2\S/C(=C\c3ccc([O-])c(Cl)c3)C(=O)N2c2cc(C)ccc2C)c1 ZINC000002094288 554038192 /nfs/dbraw/zinc/03/81/92/554038192.db2.gz WTCXEHTVAVCRBV-VRANQKIWSA-N -1 1 463.002 7.088 50 30 JKEAMM CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)cc(Br)c2[O-])cc1 ZINC000002235597 554107537 /nfs/dbraw/zinc/10/75/37/554107537.db2.gz RZMXWJLERMURMX-AWQFTUOYSA-N -1 1 498.200 5.119 50 30 JKEAMM Cc1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 ZINC000002331781 554151674 /nfs/dbraw/zinc/15/16/74/554151674.db2.gz PXNDQYZYUXHZLB-XODNFHPESA-N -1 1 491.772 7.829 50 30 JKEAMM O=C(CSc1nnc([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)s1)c1ccccc1 ZINC000002592836 554239048 /nfs/dbraw/zinc/23/90/48/554239048.db2.gz CUFOFVLVZZEWDS-UHFFFAOYSA-N -1 1 480.423 6.671 50 30 JKEAMM CCN(CC)C(=O)c1sc([N-]C(=O)c2c(C)onc2-c2c(F)cccc2Cl)c(C#N)c1C ZINC000002759719 554330854 /nfs/dbraw/zinc/33/08/54/554330854.db2.gz BNOKNYOSEHJJEK-UHFFFAOYSA-N -1 1 474.945 5.418 50 30 JKEAMM N#Cc1c([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)oc(-c2ccco2)c1-c1ccco1 ZINC000003306530 554448350 /nfs/dbraw/zinc/44/83/50/554448350.db2.gz ORLRXVBQVMWYSW-UHFFFAOYSA-N -1 1 469.305 7.445 50 30 JKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793456 554480415 /nfs/dbraw/zinc/48/04/15/554480415.db2.gz IUFHXINPUPOGCA-NRFANRHFSA-N -1 1 492.044 6.225 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(F)cc3Cl)[n-]c(=O)c1[C@H]2c1ccccc1 ZINC000004793522 554480738 /nfs/dbraw/zinc/48/07/38/554480738.db2.gz HDKROKZZQSZRCC-FQEVSTJZSA-N -1 1 496.007 6.055 50 30 JKEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000004793739 554480746 /nfs/dbraw/zinc/48/07/46/554480746.db2.gz UEURFZFEQBLJGD-QGZVFWFLSA-N -1 1 474.424 5.235 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(F)cc3Cl)[n-]c(=O)c1[C@@H]2c1ccccc1 ZINC000004793525 554480798 /nfs/dbraw/zinc/48/07/98/554480798.db2.gz HDKROKZZQSZRCC-HXUWFJFHSA-N -1 1 496.007 6.055 50 30 JKEAMM C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006143652 554509159 /nfs/dbraw/zinc/50/91/59/554509159.db2.gz DTBJOKMPLGEHEC-QHCPKHFHSA-N -1 1 499.636 5.828 50 30 JKEAMM 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CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000008742572 554645155 /nfs/dbraw/zinc/64/51/55/554645155.db2.gz QVPVNUALGDOFJH-QFIPXVFZSA-N -1 1 474.538 5.552 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000008742572 554645157 /nfs/dbraw/zinc/64/51/57/554645157.db2.gz QVPVNUALGDOFJH-QFIPXVFZSA-N -1 1 474.538 5.552 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008744082 554647157 /nfs/dbraw/zinc/64/71/57/554647157.db2.gz AFGCDSNVWBJVJI-OAQYLSRUSA-N -1 1 488.521 5.021 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000008744092 554647234 /nfs/dbraw/zinc/64/72/34/554647234.db2.gz DUTBLMKYUJGDHE-OAQYLSRUSA-N -1 1 452.894 5.207 50 30 JKEAMM CO[C@]1(/C(C)=N/[O-])[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000008789897 554682797 /nfs/dbraw/zinc/68/27/97/554682797.db2.gz GXDRQKRSEWVQDF-OBHJWFNDSA-N -1 1 481.633 5.381 50 30 biogenic JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008816725 554698831 /nfs/dbraw/zinc/69/88/31/554698831.db2.gz FFJQZNPXQRJCRT-JOCHJYFZSA-N -1 1 472.522 5.096 50 30 JKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000008816808 554699081 /nfs/dbraw/zinc/69/90/81/554699081.db2.gz QGYZYLKERGBNFH-OAQYLSRUSA-N -1 1 490.537 5.306 50 30 JKEAMM COc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000008816808 554699083 /nfs/dbraw/zinc/69/90/83/554699083.db2.gz QGYZYLKERGBNFH-OAQYLSRUSA-N -1 1 490.537 5.306 50 30 JKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C([O-])C(=O)N1c1nc2ccc(F)cc2s1 ZINC000008817076 554699605 /nfs/dbraw/zinc/69/96/05/554699605.db2.gz OZOLNMYHEDANEZ-OAQYLSRUSA-N -1 1 478.476 5.366 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(F)c2)o1 ZINC000008817923 554701246 /nfs/dbraw/zinc/70/12/46/554701246.db2.gz HXSWAPLRMQWVKB-OAQYLSRUSA-N -1 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CCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000009461631 555229453 /nfs/dbraw/zinc/22/94/53/555229453.db2.gz LFWSAMPENLOPQA-HSZRJFAPSA-N -1 1 458.470 5.301 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009464292 555236110 /nfs/dbraw/zinc/23/61/10/555236110.db2.gz SYPVKVNDRVIGLF-HXUWFJFHSA-N -1 1 455.297 5.180 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000009601053 555424919 /nfs/dbraw/zinc/42/49/19/555424919.db2.gz NXAQFRUCJXLWCA-FQEVSTJZSA-N -1 1 462.914 5.438 50 30 JKEAMM O=C1C(=O)N(c2nc3ccccc3s2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000009601053 555424917 /nfs/dbraw/zinc/42/49/17/555424917.db2.gz NXAQFRUCJXLWCA-FQEVSTJZSA-N -1 1 462.914 5.438 50 30 JKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1 ZINC000009601046 555424923 /nfs/dbraw/zinc/42/49/23/555424923.db2.gz ASBNWHUABSUZNU-NRFANRHFSA-N -1 1 476.941 5.741 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c1 ZINC000009601046 555424925 /nfs/dbraw/zinc/42/49/25/555424925.db2.gz ASBNWHUABSUZNU-NRFANRHFSA-N -1 1 476.941 5.741 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000009601049 555424994 /nfs/dbraw/zinc/42/49/94/555424994.db2.gz NFLMQODOAPAYKN-FQEVSTJZSA-N -1 1 464.905 5.872 50 30 JKEAMM COc1ccccc1[C@@H]1c2c(=O)[n-]c(SCc3cccc(F)c3)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000009608786 555436622 /nfs/dbraw/zinc/43/66/22/555436622.db2.gz ZBTKZWBTAWAVOF-NRFANRHFSA-N -1 1 491.588 5.411 50 30 JKEAMM N#Cc1ccc(-c2csc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)n2)cc1 ZINC000009714839 555445350 /nfs/dbraw/zinc/44/53/50/555445350.db2.gz MYUMKXFAWOGVCR-UHFFFAOYSA-N -1 1 494.985 5.388 50 30 JKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000013551469 555492078 /nfs/dbraw/zinc/49/20/78/555492078.db2.gz RUUQNKVGEZVQKY-LJQANCHMSA-N -1 1 480.542 5.046 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000013571584 555510068 /nfs/dbraw/zinc/51/00/68/555510068.db2.gz OOVLMEFOTCOBFV-LJQANCHMSA-N -1 1 469.722 5.280 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(O)c3)sc2c1 ZINC000013571637 555510295 /nfs/dbraw/zinc/51/02/95/555510295.db2.gz URKMVRUXXHWNGU-JOCHJYFZSA-N -1 1 474.513 5.486 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(O)c3)sc2c1 ZINC000013571637 555510297 /nfs/dbraw/zinc/51/02/97/555510297.db2.gz URKMVRUXXHWNGU-JOCHJYFZSA-N -1 1 474.513 5.486 50 30 JKEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000020130187 555655916 /nfs/dbraw/zinc/65/59/16/555655916.db2.gz LJLBJUHROKUOIS-FQEVSTJZSA-N -1 1 462.329 5.217 50 30 JKEAMM COc1ccc(/C([O-])=N/c2c(=O)oc3ccccc3c2NCc2ccccc2)cc1Br ZINC000020258417 555744053 /nfs/dbraw/zinc/74/40/53/555744053.db2.gz HUZYLBZTZXQEDT-UHFFFAOYSA-N -1 1 479.330 5.813 50 30 JKEAMM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000012579854 556078462 /nfs/dbraw/zinc/07/84/62/556078462.db2.gz AQEFBMVFUWQQGA-UHFFFAOYSA-N -1 1 498.048 6.539 50 30 JKEAMM Cc1ccc(NC(=O)c2[n-]cnc2N=C2SC[C@@](O)(c3ccc(C)cc3)N2c2ccccc2)cc1 ZINC000016949341 556183517 /nfs/dbraw/zinc/18/35/17/556183517.db2.gz QFJVLIHAWHLXHA-LQEZPDACSA-N -1 1 483.597 5.365 50 30 JKEAMM Cc1ccc(NC(=O)c2nc[n-]c2N=C2SC[C@@](O)(c3ccc(C)cc3)N2c2ccccc2)cc1 ZINC000016949341 556183519 /nfs/dbraw/zinc/18/35/19/556183519.db2.gz QFJVLIHAWHLXHA-LQEZPDACSA-N -1 1 483.597 5.365 50 30 JKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016953606 556184430 /nfs/dbraw/zinc/18/44/30/556184430.db2.gz SVBKFBLRVPIOEC-FQEVSTJZSA-N -1 1 479.989 5.701 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2cccc(F)c2)cc1 ZINC000016993658 556197948 /nfs/dbraw/zinc/19/79/48/556197948.db2.gz IRRZPXCAJARDIP-NRFANRHFSA-N -1 1 455.407 5.936 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000016993817 556198016 /nfs/dbraw/zinc/19/80/16/556198016.db2.gz PINYVWJGRBTTFK-OAQYLSRUSA-N -1 1 482.414 5.705 50 30 JKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017041227 556208101 /nfs/dbraw/zinc/20/81/01/556208101.db2.gz GAIDHNANKMHJOQ-FQEVSTJZSA-N -1 1 474.542 5.256 50 30 JKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017041219 556208117 /nfs/dbraw/zinc/20/81/17/556208117.db2.gz WPPMFLDMCOCNRM-OAQYLSRUSA-N -1 1 475.589 6.123 50 30 JKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc(C)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000017041762 556208406 /nfs/dbraw/zinc/20/84/06/556208406.db2.gz PIABEIUZOKXXHA-NRFANRHFSA-N -1 1 461.587 5.473 50 30 JKEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000017041775 556208456 /nfs/dbraw/zinc/20/84/56/556208456.db2.gz YUXGWEMJKWYGDD-HXUWFJFHSA-N -1 1 463.628 5.633 50 30 JKEAMM C=CCn1c(-c2sc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)nc2C)n[n-]c1=S ZINC000025515409 556218744 /nfs/dbraw/zinc/21/87/44/556218744.db2.gz XYWDZFSODFZSAU-UHFFFAOYSA-N -1 1 493.643 5.520 50 30 JKEAMM O=C1CCCC2=C1[C@@H](c1cccs1)c1c(=O)[n-]c(SCc3ccccc3Cl)nc1N2 ZINC000017177784 556232438 /nfs/dbraw/zinc/23/24/38/556232438.db2.gz OENQZWYXHSWDQO-GOSISDBHSA-N -1 1 455.992 5.342 50 30 JKEAMM O=C1CCCC2=C1[C@H](c1cccs1)c1c(=O)[n-]c(SCc3ccccc3Cl)nc1N2 ZINC000017177786 556232474 /nfs/dbraw/zinc/23/24/74/556232474.db2.gz OENQZWYXHSWDQO-SFHVURJKSA-N -1 1 455.992 5.342 50 30 JKEAMM O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000017177753 556232490 /nfs/dbraw/zinc/23/24/90/556232490.db2.gz GQLRWAWLNKMJHJ-LJQANCHMSA-N -1 1 451.498 5.317 50 30 JKEAMM O=C1CCCC2=C1[C@@H](c1cccc(F)c1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000017177776 556232536 /nfs/dbraw/zinc/23/25/36/556232536.db2.gz ZONBZZLFZVVKIN-LJQANCHMSA-N -1 1 451.498 5.317 50 30 JKEAMM O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000017177768 556232550 /nfs/dbraw/zinc/23/25/50/556232550.db2.gz VVGVWXWDXHJPKQ-LJQANCHMSA-N -1 1 478.505 5.086 50 30 JKEAMM O=C1CCCC2=C1[C@H](c1cccc(O)c1)c1c(=O)[n-]c(SCc3ccccc3Cl)nc1N2 ZINC000017177782 556232571 /nfs/dbraw/zinc/23/25/71/556232571.db2.gz YCSSQHDQQPVPDA-IBGZPJMESA-N -1 1 465.962 5.398 50 30 JKEAMM CCOc1cc(/C=C/C(=O)c2ccc([O-])cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013039430 556240504 /nfs/dbraw/zinc/24/05/04/556240504.db2.gz FYAWRRKRAZBUEA-WUXMJOGZSA-N -1 1 485.458 5.723 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@@H]2c1cccc(O)c1 ZINC000017242384 556243164 /nfs/dbraw/zinc/24/31/64/556243164.db2.gz DDTSFVMDIJSLCR-HXUWFJFHSA-N -1 1 459.571 5.381 50 30 JKEAMM COc1ccccc1[C@H]1c2c(=O)[n-]c(SCc3ccccc3)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000017242399 556243187 /nfs/dbraw/zinc/24/31/87/556243187.db2.gz NLJNMAGBMZMXKI-OAQYLSRUSA-N -1 1 473.598 5.684 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1cccc(F)c1 ZINC000017242485 556243491 /nfs/dbraw/zinc/24/34/91/556243491.db2.gz GJGHFJSBKZIPHQ-HXUWFJFHSA-N -1 1 479.552 5.953 50 30 JKEAMM COc1ccccc1[C@@H]1c2c(=O)[n-]c(SCc3ccccc3F)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000017242532 556243635 /nfs/dbraw/zinc/24/36/35/556243635.db2.gz QVGHRVYHGSUUKY-NRFANRHFSA-N -1 1 491.588 5.823 50 30 JKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017242468 556243656 /nfs/dbraw/zinc/24/36/56/556243656.db2.gz ALEJFJGQZWTZSS-NRFANRHFSA-N -1 1 491.588 5.823 50 30 JKEAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017316785 556258323 /nfs/dbraw/zinc/25/83/23/556258323.db2.gz VJPOJBQQMFOQFB-QFIPXVFZSA-N -1 1 487.625 5.662 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1OC ZINC000018066028 556282322 /nfs/dbraw/zinc/28/23/22/556282322.db2.gz UGIYBBGEFQMHQR-JOCHJYFZSA-N -1 1 472.522 5.096 50 30 JKEAMM [O-]c1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccc2c(c1)Cc1ccccc1-2 ZINC000027519576 556282671 /nfs/dbraw/zinc/28/26/71/556282671.db2.gz IUCRKLZTYVMYNB-STBIYBPSSA-N -1 1 454.367 7.067 50 30 JKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000027551432 556296482 /nfs/dbraw/zinc/29/64/82/556296482.db2.gz KAMFTODODGMAFU-QHCPKHFHSA-N -1 1 453.510 5.172 50 30 JKEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000027551467 556296573 /nfs/dbraw/zinc/29/65/73/556296573.db2.gz LEXVFXFLIYBTEK-WIJYMUHASA-N -1 1 498.373 5.072 50 30 JKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000008384327 562939026 /nfs/dbraw/zinc/93/90/26/562939026.db2.gz UKBQILWQTWFOAB-FQEVSTJZSA-N -1 1 480.542 5.127 50 30 JKEAMM C=CCn1c(Sc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])nnc1C1CCCCC1 ZINC000008670842 562949244 /nfs/dbraw/zinc/94/92/44/562949244.db2.gz RCBFFUDLWKSACE-UHFFFAOYSA-N -1 1 499.618 5.372 50 30 aggregator JKEAMM COc1cc(/C=C/C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC(F)F ZINC000008685530 562952457 /nfs/dbraw/zinc/95/24/57/562952457.db2.gz MAIJIFHMJOBHBL-WLRTZDKTSA-N -1 1 473.497 5.302 50 30 JKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nccs2)cc1OCC ZINC000008384142 569589221 /nfs/dbraw/zinc/58/92/21/569589221.db2.gz ABSAKQXAWVHSFT-OAQYLSRUSA-N -1 1 482.533 5.253 50 30 JKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008384331 569589344 /nfs/dbraw/zinc/58/93/44/569589344.db2.gz UEXICHVXOHYMRL-HSZRJFAPSA-N -1 1 486.549 5.854 50 30 JKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008384331 569589345 /nfs/dbraw/zinc/58/93/45/569589345.db2.gz UEXICHVXOHYMRL-HSZRJFAPSA-N -1 1 486.549 5.854 50 30 JKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008441114 569590143 /nfs/dbraw/zinc/59/01/43/569590143.db2.gz OFMIUCZYHCNKRE-FQEVSTJZSA-N -1 1 476.485 5.322 50 30 JKEAMM O=C1C(=O)N(c2nc3cc(Br)ccc3s2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000008715717 569596361 /nfs/dbraw/zinc/59/63/61/569596361.db2.gz SSVKWPNRMGJHAB-HXUWFJFHSA-N -1 1 491.366 5.842 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3cc(Br)ccc3s2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000008715717 569596362 /nfs/dbraw/zinc/59/63/62/569596362.db2.gz SSVKWPNRMGJHAB-HXUWFJFHSA-N -1 1 491.366 5.842 50 30 JKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Cl)c(C)c2)c1 ZINC000008715761 569596372 /nfs/dbraw/zinc/59/63/72/569596372.db2.gz GARCEIWWOYNPAD-QHCPKHFHSA-N -1 1 463.917 5.449 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008737868 569602076 /nfs/dbraw/zinc/60/20/76/569602076.db2.gz SMZYYGDHESHPSJ-QHCPKHFHSA-N -1 1 486.549 5.405 50 30 JKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000035450667 569696727 /nfs/dbraw/zinc/69/67/27/569696727.db2.gz JGYJXFGXIXLUMV-FQEVSTJZSA-N -1 1 483.634 5.126 50 30 JKEAMM C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096113970 569733148 /nfs/dbraw/zinc/73/31/48/569733148.db2.gz HBICLMRDXXVMCS-SFHVURJKSA-N -1 1 470.477 5.267 50 30 biogenic JKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000100342947 569757690 /nfs/dbraw/zinc/75/76/90/569757690.db2.gz WQLDWKGORWLHOI-HOGKFDNTSA-N -1 1 483.442 5.349 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000100342947 569757691 /nfs/dbraw/zinc/75/76/91/569757691.db2.gz WQLDWKGORWLHOI-HOGKFDNTSA-N -1 1 483.442 5.349 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100340504 569757709 /nfs/dbraw/zinc/75/77/09/569757709.db2.gz ASCWGEMODSKYOK-JBCNATCCSA-N -1 1 498.413 5.249 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100340522 569757740 /nfs/dbraw/zinc/75/77/40/569757740.db2.gz OSIYDTQDKJWRJE-JBCNATCCSA-N -1 1 487.861 5.994 50 30 JKEAMM CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)SC(=Cc2cccc(F)c2[O-])C1=O ZINC000036257922 569758944 /nfs/dbraw/zinc/75/89/44/569758944.db2.gz LDYMODNUYWJKOO-OQLLNIDSSA-N -1 1 453.413 5.094 50 30 JKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000100455283 569761503 /nfs/dbraw/zinc/76/15/03/569761503.db2.gz YXHXUNJHUDXDCQ-ZHHPLPSFSA-N -1 1 463.917 5.292 50 30 JKEAMM Cc1cccc(C(C)C)c1NC(=O)C([O-])=CC(=O)c1cccc(NC2=CC(=O)C(=O)c3ccccc32)c1 ZINC000100742031 569768409 /nfs/dbraw/zinc/76/84/09/569768409.db2.gz UAHBETAHXMUHGX-UHFFFAOYSA-N -1 1 494.547 5.117 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Br)cc2)sc1C ZINC000101069993 569781060 /nfs/dbraw/zinc/78/10/60/569781060.db2.gz PDIDYEXYURGWFM-IBOXJLQUSA-N -1 1 475.389 5.210 50 30 JKEAMM CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000100821783 569771409 /nfs/dbraw/zinc/77/14/09/569771409.db2.gz VHCCOPDPUZTEAM-UHFFFAOYSA-N -1 1 463.983 6.323 50 30 JKEAMM CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C)c3)cc21 ZINC000100822118 569771416 /nfs/dbraw/zinc/77/14/16/569771416.db2.gz BIPZERSTLDJBLN-UHFFFAOYSA-N -1 1 478.010 6.631 50 30 JKEAMM CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc21 ZINC000100821789 569771474 /nfs/dbraw/zinc/77/14/74/569771474.db2.gz LUYVJDKMQCLFMW-UHFFFAOYSA-N -1 1 457.592 6.232 50 30 JKEAMM CCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc21 ZINC000100822726 569771573 /nfs/dbraw/zinc/77/15/73/569771573.db2.gz VSDSYXDMLUZRIO-UHFFFAOYSA-N -1 1 497.588 6.962 50 30 JKEAMM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccccc2)no1 ZINC000101062510 569780786 /nfs/dbraw/zinc/78/07/86/569780786.db2.gz OUDWLWITJKJVSY-NHFXJNLRSA-N -1 1 481.346 5.361 50 30 JKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2)no1 ZINC000101062510 569780787 /nfs/dbraw/zinc/78/07/87/569780787.db2.gz OUDWLWITJKJVSY-NHFXJNLRSA-N -1 1 481.346 5.361 50 30 JKEAMM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000101062620 569780801 /nfs/dbraw/zinc/78/08/01/569780801.db2.gz IXKFTJRJKUVGLB-LFVOPCPISA-N -1 1 497.414 5.829 50 30 JKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000101062620 569780802 /nfs/dbraw/zinc/78/08/02/569780802.db2.gz IXKFTJRJKUVGLB-LFVOPCPISA-N -1 1 497.414 5.829 50 30 JKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2F)no1 ZINC000101062665 569780898 /nfs/dbraw/zinc/78/08/98/569780898.db2.gz QDKFIOPYQBVLMN-YDJIHCHBSA-N -1 1 499.336 5.500 50 30 JKEAMM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000101075853 569781578 /nfs/dbraw/zinc/78/15/78/569781578.db2.gz MVHWVAZTZDFAKN-NHFXJNLRSA-N -1 1 452.279 5.215 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000101075853 569781580 /nfs/dbraw/zinc/78/15/80/569781580.db2.gz MVHWVAZTZDFAKN-NHFXJNLRSA-N -1 1 452.279 5.215 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Br)c2)sc1C ZINC000101100263 569782735 /nfs/dbraw/zinc/78/27/35/569782735.db2.gz BCYQXXAILIREBO-IBOXJLQUSA-N -1 1 475.389 5.210 50 30 JKEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(Br)c2)sc1C ZINC000101100242 569782751 /nfs/dbraw/zinc/78/27/51/569782751.db2.gz YKUWMQXFESZLEK-GHNGSUTGSA-N -1 1 469.360 5.149 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Br)c2)sc1C ZINC000101100242 569782752 /nfs/dbraw/zinc/78/27/52/569782752.db2.gz YKUWMQXFESZLEK-GHNGSUTGSA-N -1 1 469.360 5.149 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Br)c2)no1 ZINC000101101620 569782885 /nfs/dbraw/zinc/78/28/85/569782885.db2.gz FUUMJPKEAOJIGY-YDJIHCHBSA-N -1 1 479.286 5.118 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000101101520 569782940 /nfs/dbraw/zinc/78/29/40/569782940.db2.gz ZYTDEGZCMDJJGN-LFVOPCPISA-N -1 1 495.354 5.587 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101287789 569789719 /nfs/dbraw/zinc/78/97/19/569789719.db2.gz GOEYGMFZKAXBHJ-LFVOPCPISA-N -1 1 497.370 5.097 50 30 JKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000101293933 569789883 /nfs/dbraw/zinc/78/98/83/569789883.db2.gz JIZHNTMMUCMAQR-JBCNATCCSA-N -1 1 480.973 5.604 50 30 JKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000101293933 569789885 /nfs/dbraw/zinc/78/98/85/569789885.db2.gz JIZHNTMMUCMAQR-JBCNATCCSA-N -1 1 480.973 5.604 50 30 JKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294515 569789996 /nfs/dbraw/zinc/78/99/96/569789996.db2.gz AEOUWHRTNSNYLY-HOGKFDNTSA-N -1 1 488.590 5.857 50 30 JKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000101294507 569790084 /nfs/dbraw/zinc/79/00/84/569790084.db2.gz CRRHCEHDHYYHBO-LFVOPCPISA-N -1 1 452.557 5.013 50 30 JKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000101294507 569790086 /nfs/dbraw/zinc/79/00/86/569790086.db2.gz CRRHCEHDHYYHBO-LFVOPCPISA-N -1 1 452.557 5.013 50 30 JKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313981 569792379 /nfs/dbraw/zinc/79/23/79/569792379.db2.gz LAJZFQBDPJUKPV-IUKMQXEJSA-N -1 1 466.493 5.327 50 30 JKEAMM N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000040162363 569822980 /nfs/dbraw/zinc/82/29/80/569822980.db2.gz VQTGVHQCODRNET-QGZVFWFLSA-N -1 1 457.580 5.181 50 30 JKEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)n1 ZINC000102856776 569824567 /nfs/dbraw/zinc/82/45/67/569824567.db2.gz ZTVUDJRBZSSKLH-SBXHHDGASA-N -1 1 468.534 5.870 50 30 JKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102857154 569824600 /nfs/dbraw/zinc/82/46/00/569824600.db2.gz KAECQKCDAJFPEQ-JBCNATCCSA-N -1 1 460.486 5.070 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102857154 569824601 /nfs/dbraw/zinc/82/46/01/569824601.db2.gz KAECQKCDAJFPEQ-JBCNATCCSA-N -1 1 460.486 5.070 50 30 JKEAMM O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000102862727 569825226 /nfs/dbraw/zinc/82/52/26/569825226.db2.gz HYJRTTKGYWMTRM-YDJIHCHBSA-N -1 1 464.905 5.715 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000102862727 569825227 /nfs/dbraw/zinc/82/52/27/569825227.db2.gz HYJRTTKGYWMTRM-YDJIHCHBSA-N -1 1 464.905 5.715 50 30 JKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102863984 569825413 /nfs/dbraw/zinc/82/54/13/569825413.db2.gz BEHJXNNJZXWHCR-WOOAAIBNSA-N -1 1 454.935 5.048 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102863984 569825414 /nfs/dbraw/zinc/82/54/14/569825414.db2.gz BEHJXNNJZXWHCR-WOOAAIBNSA-N -1 1 454.935 5.048 50 30 JKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102863980 569825418 /nfs/dbraw/zinc/82/54/18/569825418.db2.gz BEHJXNNJZXWHCR-LFVOPCPISA-N -1 1 454.935 5.048 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102863980 569825419 /nfs/dbraw/zinc/82/54/19/569825419.db2.gz BEHJXNNJZXWHCR-LFVOPCPISA-N -1 1 454.935 5.048 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102863483 569825469 /nfs/dbraw/zinc/82/54/69/569825469.db2.gz ACXMWYNIRKWABY-NHFXJNLRSA-N -1 1 480.542 5.522 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1OC ZINC000102865528 569825562 /nfs/dbraw/zinc/82/55/62/569825562.db2.gz MEBBSVOCNDZUJP-ZHHPLPSFSA-N -1 1 486.549 5.248 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000102865496 569825624 /nfs/dbraw/zinc/82/56/24/569825624.db2.gz CAYCWMYNCVUTGU-YDJIHCHBSA-N -1 1 482.895 5.854 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102866570 569825789 /nfs/dbraw/zinc/82/57/89/569825789.db2.gz DGRYNWSODVPBQD-AYWGPLOBSA-N -1 1 488.565 6.038 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102866570 569825791 /nfs/dbraw/zinc/82/57/91/569825791.db2.gz DGRYNWSODVPBQD-AYWGPLOBSA-N -1 1 488.565 6.038 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102866567 569825816 /nfs/dbraw/zinc/82/58/16/569825816.db2.gz DGRYNWSODVPBQD-ZHHPLPSFSA-N -1 1 488.565 6.038 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102866567 569825817 /nfs/dbraw/zinc/82/58/17/569825817.db2.gz DGRYNWSODVPBQD-ZHHPLPSFSA-N -1 1 488.565 6.038 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102866706 569825878 /nfs/dbraw/zinc/82/58/78/569825878.db2.gz AZUBASCVACTQHJ-MRJHHRETSA-N -1 1 460.511 5.223 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102874082 569826105 /nfs/dbraw/zinc/82/61/05/569826105.db2.gz BOXQOZQBSQZYGL-BUANBSPESA-N -1 1 488.540 5.687 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102873940 569826146 /nfs/dbraw/zinc/82/61/46/569826146.db2.gz KGZUFTDTFQZXMA-HFEWCJDKSA-N -1 1 485.521 5.448 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102874499 569826157 /nfs/dbraw/zinc/82/61/57/569826157.db2.gz CUVCVVCFKLUJOS-NHFXJNLRSA-N -1 1 480.929 5.568 50 30 JKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1 ZINC000102874826 569826323 /nfs/dbraw/zinc/82/63/23/569826323.db2.gz GDCAIZYMFFCROB-MOBKVPTQSA-N -1 1 474.513 5.379 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102875793 569826410 /nfs/dbraw/zinc/82/64/10/569826410.db2.gz DXBDLTNNHAQFEW-HFEWCJDKSA-N -1 1 474.538 5.449 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102876292 569826559 /nfs/dbraw/zinc/82/65/59/569826559.db2.gz HTCZOPKWYZMJKR-SBXHHDGASA-N -1 1 484.577 5.938 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000102927622 569826940 /nfs/dbraw/zinc/82/69/40/569826940.db2.gz ZWXZMSPNUSCUQX-HOGKFDNTSA-N -1 1 458.495 5.463 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102928816 569827310 /nfs/dbraw/zinc/82/73/10/569827310.db2.gz WOQNSQNRKHKGOS-MOBKVPTQSA-N -1 1 492.503 5.600 50 30 JKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102929491 569827865 /nfs/dbraw/zinc/82/78/65/569827865.db2.gz HDVMXDFUOQHPJW-HOGKFDNTSA-N -1 1 490.512 5.079 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102929491 569827867 /nfs/dbraw/zinc/82/78/67/569827867.db2.gz HDVMXDFUOQHPJW-HOGKFDNTSA-N -1 1 490.512 5.079 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102929929 569827889 /nfs/dbraw/zinc/82/78/89/569827889.db2.gz PDMFHGSMRZCRSY-LFVOPCPISA-N -1 1 477.523 5.201 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102930394 569828046 /nfs/dbraw/zinc/82/80/46/569828046.db2.gz HQJGLAQTORUYTL-NHFXJNLRSA-N -1 1 462.552 5.301 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102930355 569828066 /nfs/dbraw/zinc/82/80/66/569828066.db2.gz OJJQCWPMBWSFRU-QOJBNDRUSA-N -1 1 499.375 6.439 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102931102 569828224 /nfs/dbraw/zinc/82/82/24/569828224.db2.gz KRKWJQDEYYLQRX-LFVOPCPISA-N -1 1 466.971 5.946 50 30 JKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102930903 569828254 /nfs/dbraw/zinc/82/82/54/569828254.db2.gz CVQLEJBKECUKBG-MOBKVPTQSA-N -1 1 458.514 5.679 50 30 JKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102931577 569828417 /nfs/dbraw/zinc/82/84/17/569828417.db2.gz KVTOQCYVRDYYEY-JBCNATCCSA-N -1 1 478.476 5.209 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102931320 569828429 /nfs/dbraw/zinc/82/84/29/569828429.db2.gz LTGQCZWZQGBYNV-GOBJLOIFSA-N -1 1 486.377 5.379 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102931316 569828478 /nfs/dbraw/zinc/82/84/78/569828478.db2.gz YOBBYNSMQXJTOK-ZHHPLPSFSA-N -1 1 486.549 5.248 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102931926 569828606 /nfs/dbraw/zinc/82/86/06/569828606.db2.gz GAMSXWJMNNCKEN-ZHHPLPSFSA-N -1 1 486.549 5.248 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102932148 569828829 /nfs/dbraw/zinc/82/88/29/569828829.db2.gz YCURDDZOYMNJEO-AYWGPLOBSA-N -1 1 486.549 5.248 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102932374 569828891 /nfs/dbraw/zinc/82/88/91/569828891.db2.gz NJTMGDXJKBKZGX-JBCNATCCSA-N -1 1 489.484 5.278 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102932429 569828899 /nfs/dbraw/zinc/82/88/99/569828899.db2.gz YQUIKXYQJMHPDQ-AYWGPLOBSA-N -1 1 486.549 5.330 50 30 JKEAMM CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000102939687 569829435 /nfs/dbraw/zinc/82/94/35/569829435.db2.gz KLHMAOGMBDDLBJ-IWIPYMOSSA-N -1 1 468.525 5.260 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000103854537 569838495 /nfs/dbraw/zinc/83/84/95/569838495.db2.gz OXEWUFKNUDNEBS-ZHHPLPSFSA-N -1 1 491.927 5.152 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000103854537 569838497 /nfs/dbraw/zinc/83/84/97/569838497.db2.gz OXEWUFKNUDNEBS-ZHHPLPSFSA-N -1 1 491.927 5.152 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000103854592 569838541 /nfs/dbraw/zinc/83/85/41/569838541.db2.gz SEFGNIWNHSGWEQ-ZHHPLPSFSA-N -1 1 491.927 5.152 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000103854592 569838542 /nfs/dbraw/zinc/83/85/42/569838542.db2.gz SEFGNIWNHSGWEQ-ZHHPLPSFSA-N -1 1 491.927 5.152 50 30 JKEAMM CCN(Cc1ccccc1)c1ccc([C@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000044973909 569839789 /nfs/dbraw/zinc/83/97/89/569839789.db2.gz OSYZQFRTANJFLR-JOCHJYFZSA-N -1 1 486.641 6.072 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000104096769 569840755 /nfs/dbraw/zinc/84/07/55/569840755.db2.gz IPHUEZPCKZBAPG-YDJIHCHBSA-N -1 1 452.825 5.014 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000104115043 569841074 /nfs/dbraw/zinc/84/10/74/569841074.db2.gz BCIWBMITIVDPMM-WOOAAIBNSA-N -1 1 469.722 5.124 50 30 JKEAMM O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000104132015 569841668 /nfs/dbraw/zinc/84/16/68/569841668.db2.gz YQDUGMGWVWPHCD-NHFXJNLRSA-N -1 1 468.734 5.729 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000104132015 569841670 /nfs/dbraw/zinc/84/16/70/569841670.db2.gz YQDUGMGWVWPHCD-NHFXJNLRSA-N -1 1 468.734 5.729 50 30 JKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000104126050 569841712 /nfs/dbraw/zinc/84/17/12/569841712.db2.gz DJGAHJPPCPWUMN-HOGKFDNTSA-N -1 1 476.872 5.077 50 30 JKEAMM CCCCCCCCOc1ccc([C@@H](CC(=O)OC)C2=C([O-])C(=O)c3ccccc3C2=O)cc1 ZINC000217811636 569881668 /nfs/dbraw/zinc/88/16/68/569881668.db2.gz BTZRLEVHVFGPST-HSZRJFAPSA-N -1 1 464.558 5.964 50 30 biogenic JKEAMM Cc1ccc2nc(-c3cc(N=Cc4cc(Br)cc([N+](=O)[O-])c4[O-])ccc3O)[nH]c2c1 ZINC000252599462 570084855 /nfs/dbraw/zinc/08/48/55/570084855.db2.gz DJNNOWMTZITSCJ-UHFFFAOYSA-N -1 1 467.279 5.371 50 30 JKEAMM Cc1ccc2oc(-c3cccc(N=Cc4cc(Cc5ccccc5)cc(Br)c4[O-])c3)nc2c1 ZINC000252604618 570085404 /nfs/dbraw/zinc/08/54/04/570085404.db2.gz GBEQYEMYEUFPJM-UHFFFAOYSA-N -1 1 497.392 7.613 50 30 JKEAMM COc1cc(Br)cc(C=Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)c1O ZINC000252612439 570086260 /nfs/dbraw/zinc/08/62/60/570086260.db2.gz ITDWOSOUPVNZKQ-UHFFFAOYSA-N -1 1 453.292 5.736 50 30 JKEAMM Cc1cc2nc(-c3cc(N=Cc4cc([N+](=O)[O-])cc(Br)c4[O-])ccc3O)oc2c(C)c1 ZINC000252642898 570090718 /nfs/dbraw/zinc/09/07/18/570090718.db2.gz ZQQAAZGYJZQCMW-UHFFFAOYSA-N -1 1 482.290 5.944 50 30 JKEAMM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCN(Cc2ccccc2Cl)CC1 ZINC000328578992 570178983 /nfs/dbraw/zinc/17/89/83/570178983.db2.gz GDFANBFVMSRDTM-UHFFFAOYSA-N -1 1 490.987 5.502 50 30 JKEAMM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCN(Cc2cccc(Cl)c2)CC1 ZINC000328579022 570179064 /nfs/dbraw/zinc/17/90/64/570179064.db2.gz INMFJSHNRNHCCO-UHFFFAOYSA-N -1 1 490.987 5.502 50 30 JKEAMM Cc1cccc2oc(-c3cc(/N=C/c4c(C)c(Cl)c(C)c([N+](=O)[O-])c4[O-])ccc3O)nc21 ZINC000003114290 194227561 /nfs/dbraw/zinc/22/75/61/194227561.db2.gz AQAVGAQUQBJROR-KIBLKLHPSA-N -1 1 451.866 6.143 50 30 JKEAMM Cc1ccc(-c2oc([N-]C(=O)c3ccc(Cl)cc3[N+](=O)[O-])c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000003287853 194265387 /nfs/dbraw/zinc/26/53/87/194265387.db2.gz RMBBCJFPZFUIMX-UHFFFAOYSA-N -1 1 471.900 6.916 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102368618 130121994 /nfs/dbraw/zinc/12/19/94/130121994.db2.gz CQRDVTOOXCRKHV-HOGKFDNTSA-N -1 1 491.613 5.558 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000102368592 130122057 /nfs/dbraw/zinc/12/20/57/130122057.db2.gz WMEGGEAOWQYMEI-MRJHHRETSA-N -1 1 497.345 5.159 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000102369342 130124153 /nfs/dbraw/zinc/12/41/53/130124153.db2.gz HMEAAQVTTGFBDC-NXLSWJSLSA-N -1 1 460.530 5.520 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102483787 130137387 /nfs/dbraw/zinc/13/73/87/130137387.db2.gz LYASMHBMVBBCCT-JBCNATCCSA-N -1 1 460.942 5.884 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102483795 130137465 /nfs/dbraw/zinc/13/74/65/130137465.db2.gz FTVYPRDBWYFRRC-MRJHHRETSA-N -1 1 489.484 5.278 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102488186 130142061 /nfs/dbraw/zinc/14/20/61/130142061.db2.gz XCRZYVOYEBSMMR-HOGKFDNTSA-N -1 1 490.968 5.893 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102490327 130144462 /nfs/dbraw/zinc/14/44/62/130144462.db2.gz ZGJAUSMKQOILCD-LFVOPCPISA-N -1 1 466.515 5.132 50 30 JKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(F)cc1 ZINC000102494912 130149220 /nfs/dbraw/zinc/14/92/20/130149220.db2.gz QRLDPDBJDBSTCH-SELCWUDQSA-N -1 1 454.479 5.262 50 30 JKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102496112 130150159 /nfs/dbraw/zinc/15/01/59/130150159.db2.gz FHUYVPKNZCDCNQ-WOOAAIBNSA-N -1 1 454.935 5.048 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102496112 130150162 /nfs/dbraw/zinc/15/01/62/130150162.db2.gz FHUYVPKNZCDCNQ-WOOAAIBNSA-N -1 1 454.935 5.048 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(F)c2)o1 ZINC000102497486 130151682 /nfs/dbraw/zinc/15/16/82/130151682.db2.gz QGCATLWONQYSBZ-PGVNHDJNSA-N -1 1 462.502 5.580 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102501204 130155450 /nfs/dbraw/zinc/15/54/50/130155450.db2.gz KCIBFHDPJBZZTB-MRJHHRETSA-N -1 1 492.578 5.310 50 30 JKEAMM COc1ccccc1[C@@H]1C(=C([O-])c2ccco2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000102504791 130159011 /nfs/dbraw/zinc/15/90/11/130159011.db2.gz ZQEOGFIBKWKZLN-OBVHCKHUSA-N -1 1 460.511 5.141 50 30 JKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000102504791 130159016 /nfs/dbraw/zinc/15/90/16/130159016.db2.gz ZQEOGFIBKWKZLN-OBVHCKHUSA-N -1 1 460.511 5.141 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102508155 130162503 /nfs/dbraw/zinc/16/25/03/130162503.db2.gz LREIKPQMWGBXQI-SBXHHDGASA-N -1 1 486.568 6.494 50 30 JKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102510109 130164522 /nfs/dbraw/zinc/16/45/22/130164522.db2.gz AMUVNIULBROZQC-HOGKFDNTSA-N -1 1 490.968 5.893 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102510109 130164526 /nfs/dbraw/zinc/16/45/26/130164526.db2.gz AMUVNIULBROZQC-HOGKFDNTSA-N -1 1 490.968 5.893 50 30 JKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102514471 130168233 /nfs/dbraw/zinc/16/82/33/130168233.db2.gz GUOZUKOIHDXJRK-AYWGPLOBSA-N -1 1 488.540 5.769 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102514471 130168236 /nfs/dbraw/zinc/16/82/36/130168236.db2.gz GUOZUKOIHDXJRK-AYWGPLOBSA-N -1 1 488.540 5.769 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)o1 ZINC000102515401 130168749 /nfs/dbraw/zinc/16/87/49/130168749.db2.gz DWDLLROLBCRAQP-IAMBOQNYSA-N -1 1 458.539 5.749 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102518104 130171249 /nfs/dbraw/zinc/17/12/49/130171249.db2.gz ZTFXXZRHKUSGBO-LFVOPCPISA-N -1 1 482.970 5.646 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000102519091 130171691 /nfs/dbraw/zinc/17/16/91/130171691.db2.gz SSTGTTKXQYWBSJ-JBCNATCCSA-N -1 1 450.535 5.649 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C ZINC000102519101 130171800 /nfs/dbraw/zinc/17/18/00/130171800.db2.gz SSTGTTKXQYWBSJ-MRJHHRETSA-N -1 1 450.535 5.649 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)sc1C ZINC000102526908 130179116 /nfs/dbraw/zinc/17/91/16/130179116.db2.gz ULEGJXANYXISFY-WOOAAIBNSA-N -1 1 483.387 5.457 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102527422 130179512 /nfs/dbraw/zinc/17/95/12/130179512.db2.gz BRXPEFJKXVSMBN-MOBKVPTQSA-N -1 1 474.969 6.193 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102527596 130179986 /nfs/dbraw/zinc/17/99/86/130179986.db2.gz MMXIKDJMJWANJY-ZHHPLPSFSA-N -1 1 486.549 5.248 50 30 JKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102528407 130180771 /nfs/dbraw/zinc/18/07/71/130180771.db2.gz SQYKPFLCUYRONJ-CZNAVJSXSA-N -1 1 496.519 5.800 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102528407 130180779 /nfs/dbraw/zinc/18/07/79/130180779.db2.gz SQYKPFLCUYRONJ-CZNAVJSXSA-N -1 1 496.519 5.800 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000102528587 130181468 /nfs/dbraw/zinc/18/14/68/130181468.db2.gz WIBNXVLKGMDJKY-NPJIAGGLSA-N -1 1 466.493 5.710 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102532576 130186435 /nfs/dbraw/zinc/18/64/35/130186435.db2.gz YILIDIPCXLSEPD-WOOAAIBNSA-N -1 1 466.902 5.178 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102536225 130190545 /nfs/dbraw/zinc/19/05/45/130190545.db2.gz ATXMABUJESEREN-AGGMBTAESA-N -1 1 482.414 5.548 50 30 JKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102538128 130192834 /nfs/dbraw/zinc/19/28/34/130192834.db2.gz JVTFDVBBSDXNBK-MOBKVPTQSA-N -1 1 490.968 5.893 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102538128 130192836 /nfs/dbraw/zinc/19/28/36/130192836.db2.gz JVTFDVBBSDXNBK-MOBKVPTQSA-N -1 1 490.968 5.893 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000102540104 130195115 /nfs/dbraw/zinc/19/51/15/130195115.db2.gz HVUKGQYEWQPYPR-HFEWCJDKSA-N -1 1 458.514 5.679 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(F)c3)nc2c(C)c1 ZINC000102542195 130198043 /nfs/dbraw/zinc/19/80/43/130198043.db2.gz ZAPGWJUOKNPZSD-HFEWCJDKSA-N -1 1 476.504 5.818 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102543605 130199865 /nfs/dbraw/zinc/19/98/65/130199865.db2.gz ZYUXSEXGXZXIEI-QOJBNDRUSA-N -1 1 475.482 5.041 50 30 JKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000102547563 130201486 /nfs/dbraw/zinc/20/14/86/130201486.db2.gz NCNAHAMSPQELFK-SBXHHDGASA-N -1 1 498.560 5.362 50 30 JKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102552945 130204689 /nfs/dbraw/zinc/20/46/89/130204689.db2.gz SOQNORTZPIAHOJ-NXLSWJSLSA-N -1 1 498.560 5.311 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000102554838 130205583 /nfs/dbraw/zinc/20/55/83/130205583.db2.gz UEVSZZODYLOIMM-UVDRRRQGSA-N -1 1 498.560 5.311 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccco2)o1 ZINC000102557976 130207332 /nfs/dbraw/zinc/20/73/32/130207332.db2.gz XHVBFTGSNIODPD-LFVOPCPISA-N -1 1 493.566 5.260 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000102567836 130212440 /nfs/dbraw/zinc/21/24/40/130212440.db2.gz WFUSZOHJOSYQBW-YDJIHCHBSA-N -1 1 475.825 6.124 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(I)cc3)[C@@H]2c2ccccc2)cc1 ZINC000102575727 130215509 /nfs/dbraw/zinc/21/55/09/130215509.db2.gz CUPJBVFZVXTRFA-JBCNATCCSA-N -1 1 495.316 5.226 50 30 JKEAMM O=C1C(=O)N(c2cccc(Br)c2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000102590310 130218383 /nfs/dbraw/zinc/21/83/83/130218383.db2.gz WJBGPVGJCZHPLQ-YDJIHCHBSA-N -1 1 468.734 5.729 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102590310 130218385 /nfs/dbraw/zinc/21/83/85/130218385.db2.gz WJBGPVGJCZHPLQ-YDJIHCHBSA-N -1 1 468.734 5.729 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102607372 130222560 /nfs/dbraw/zinc/22/25/60/130222560.db2.gz SDCUVGIEBJTPLS-JBCNATCCSA-N -1 1 471.406 5.479 50 30 JKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102615747 130224656 /nfs/dbraw/zinc/22/46/56/130224656.db2.gz UTLLKIJOEKLOEC-FIMCBBJJSA-N -1 1 490.581 5.272 50 30 JKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102621388 130225676 /nfs/dbraw/zinc/22/56/76/130225676.db2.gz CJNVVCCGQFGFCD-NYSCORLISA-N -1 1 460.555 5.216 50 30 JKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102678048 130235952 /nfs/dbraw/zinc/23/59/52/130235952.db2.gz UTLLKIJOEKLOEC-KZVIGXRYSA-N -1 1 490.581 5.272 50 30 JKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102692180 130239016 /nfs/dbraw/zinc/23/90/16/130239016.db2.gz GMKSGPJCNPBPCF-AYWGPLOBSA-N -1 1 488.565 5.785 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102692180 130239018 /nfs/dbraw/zinc/23/90/18/130239018.db2.gz GMKSGPJCNPBPCF-AYWGPLOBSA-N -1 1 488.565 5.785 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102698805 130245599 /nfs/dbraw/zinc/24/55/99/130245599.db2.gz UQTQLMYXPAYHEO-NHFXJNLRSA-N -1 1 494.569 5.279 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccs3)sc2c1 ZINC000102702729 130248158 /nfs/dbraw/zinc/24/81/58/130248158.db2.gz SUBLYHJHJQVLLX-MRJHHRETSA-N -1 1 492.578 5.310 50 30 JKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2)s1 ZINC000102706146 130251981 /nfs/dbraw/zinc/25/19/81/130251981.db2.gz VQZCGGOFJVNEKY-NXLSWJSLSA-N -1 1 497.576 5.360 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2)s1 ZINC000102706146 130251985 /nfs/dbraw/zinc/25/19/85/130251985.db2.gz VQZCGGOFJVNEKY-NXLSWJSLSA-N -1 1 497.576 5.360 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102708127 130254512 /nfs/dbraw/zinc/25/45/12/130254512.db2.gz IPQCYLKUYIPQSD-MRJHHRETSA-N -1 1 497.345 5.161 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102715089 130261172 /nfs/dbraw/zinc/26/11/72/130261172.db2.gz NPTNRYLQEUCTFB-JBCNATCCSA-N -1 1 497.345 5.161 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102724721 130269478 /nfs/dbraw/zinc/26/94/78/130269478.db2.gz WLKVNBKHMKSSKO-MRJHHRETSA-N -1 1 452.894 5.052 50 30 JKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102733426 130277426 /nfs/dbraw/zinc/27/74/26/130277426.db2.gz XECCXHXEANFQBK-LFVOPCPISA-N -1 1 467.978 5.424 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102733426 130277430 /nfs/dbraw/zinc/27/74/30/130277430.db2.gz XECCXHXEANFQBK-LFVOPCPISA-N -1 1 467.978 5.424 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102734015 130278240 /nfs/dbraw/zinc/27/82/40/130278240.db2.gz ZOGCXAFHKWPURE-JBCNATCCSA-N -1 1 452.894 5.052 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccnc3)nc2c(C)c1 ZINC000102771491 130296636 /nfs/dbraw/zinc/29/66/36/130296636.db2.gz QYCZYEHRMLCEJE-WVAYUJLMSA-N -1 1 497.576 5.258 50 30 JKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3)ccc2O1 ZINC000102771413 130296647 /nfs/dbraw/zinc/29/66/47/130296647.db2.gz UADQZKWQXMXLLK-CSVYKXDMSA-N -1 1 486.524 5.385 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000102798311 130306512 /nfs/dbraw/zinc/30/65/12/130306512.db2.gz YZEOSGIHXZNYSP-UYTDBDHRSA-N -1 1 475.751 5.185 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102799440 130308077 /nfs/dbraw/zinc/30/80/77/130308077.db2.gz NYPVCPZTSAVWRD-MRJHHRETSA-N -1 1 489.484 5.278 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102799437 130308134 /nfs/dbraw/zinc/30/81/34/130308134.db2.gz NYPVCPZTSAVWRD-JBCNATCCSA-N -1 1 489.484 5.278 50 30 JKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102800248 130309616 /nfs/dbraw/zinc/30/96/16/130309616.db2.gz ZFVFBRPLMIHCTG-MOBKVPTQSA-N -1 1 474.513 5.379 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(Br)cn2)cc1 ZINC000102802835 130310875 /nfs/dbraw/zinc/31/08/75/130310875.db2.gz DETWFSJXFWPFPY-NHFXJNLRSA-N -1 1 499.748 5.132 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000102857990 130327671 /nfs/dbraw/zinc/32/76/71/130327671.db2.gz CFNVGRBFCMOQAY-JBCNATCCSA-N -1 1 498.413 5.249 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102858478 130328922 /nfs/dbraw/zinc/32/89/22/130328922.db2.gz MTXKAZYYSNNJCW-MRJHHRETSA-N -1 1 478.476 5.209 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000102859378 130329506 /nfs/dbraw/zinc/32/95/06/130329506.db2.gz SFCSSYQEAQRQBX-JBCNATCCSA-N -1 1 460.486 5.070 50 30 JKEAMM COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1 ZINC000102859027 130329515 /nfs/dbraw/zinc/32/95/15/130329515.db2.gz GPKZMRMAPWARKL-YDJIHCHBSA-N -1 1 462.552 5.301 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000102862411 130334485 /nfs/dbraw/zinc/33/44/85/130334485.db2.gz KROXEQSJRAEREW-MRJHHRETSA-N -1 1 495.387 6.538 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102862329 130334518 /nfs/dbraw/zinc/33/45/18/130334518.db2.gz AWLSWURGSZHBDC-JBCNATCCSA-N -1 1 476.941 5.585 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000102862413 130334573 /nfs/dbraw/zinc/33/45/73/130334573.db2.gz KROXEQSJRAEREW-JBCNATCCSA-N -1 1 495.387 6.538 50 30 JKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102864546 130336617 /nfs/dbraw/zinc/33/66/17/130336617.db2.gz JZMQBSVLWIVPEX-IAMBOQNYSA-N -1 1 492.959 6.332 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102864546 130336621 /nfs/dbraw/zinc/33/66/21/130336621.db2.gz JZMQBSVLWIVPEX-IAMBOQNYSA-N -1 1 492.959 6.332 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c(OC)c1 ZINC000102865556 130338195 /nfs/dbraw/zinc/33/81/95/130338195.db2.gz VZSIAGNFWGEJIS-AYWGPLOBSA-N -1 1 486.549 5.248 50 30 JKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102869825 130342220 /nfs/dbraw/zinc/34/22/20/130342220.db2.gz NFLYWCLQFINPIK-ZHHPLPSFSA-N -1 1 458.470 5.144 50 30 JKEAMM 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COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009271245 525671082 /nfs/dbraw/zinc/67/10/82/525671082.db2.gz PPICKDYERUOZMK-OAQYLSRUSA-N -1 1 494.931 5.880 50 30 JKEAMM Cc1c(C)c(C(=O)[N-]C(=O)OCC#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1C#N ZINC000008616696 525672054 /nfs/dbraw/zinc/67/20/54/525672054.db2.gz BVKKCVVYANYUSH-UHFFFAOYSA-N -1 1 474.382 5.192 50 30 JKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000009275735 525697971 /nfs/dbraw/zinc/69/79/71/525697971.db2.gz XYBVAMJVFPGJKH-FQEVSTJZSA-N -1 1 464.543 5.897 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000009275735 525697981 /nfs/dbraw/zinc/69/79/81/525697981.db2.gz XYBVAMJVFPGJKH-FQEVSTJZSA-N -1 1 464.543 5.897 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000009437229 525698303 /nfs/dbraw/zinc/69/83/03/525698303.db2.gz WAONMKYSPLHCHZ-DEOSSOPVSA-N -1 1 498.560 5.467 50 30 JKEAMM 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CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)no1 ZINC000001413392 553967573 /nfs/dbraw/zinc/96/75/73/553967573.db2.gz CHLWXJSAMDPHEA-FQEVSTJZSA-N -1 1 454.885 5.548 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C)o3)sc2c1 ZINC000001450575 553973796 /nfs/dbraw/zinc/97/37/96/553973796.db2.gz WHYYHYDNVVKAGA-JOCHJYFZSA-N -1 1 474.538 5.552 50 30 JKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(O)c2)c1 ZINC000001451486 553974185 /nfs/dbraw/zinc/97/41/85/553974185.db2.gz RHIRYAHYPODFQI-QFIPXVFZSA-N -1 1 472.522 5.102 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000001464101 553976302 /nfs/dbraw/zinc/97/63/02/553976302.db2.gz GDSOAUKDQRTUJY-AREMUKBSSA-N -1 1 478.504 5.665 50 30 JKEAMM O=[N+]([O-])c1ccc2c(ccc([O-])c2/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 ZINC000001883700 554000433 /nfs/dbraw/zinc/00/04/33/554000433.db2.gz YOZOLBVDXKTRKI-KKMKTNMSSA-N -1 1 478.291 7.319 50 30 JKEAMM COc1cc(C=Nn2c(C)n[n-]c2=S)ccc1OCc1c(Cl)ccc(Cl)c1Cl ZINC000001915905 554003546 /nfs/dbraw/zinc/00/35/46/554003546.db2.gz WIEDINLSRCQTHM-GZIVZEMBSA-N -1 1 457.770 5.679 50 30 JKEAMM Cc1cc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2[O-])ccc1NC(=O)c1ccccc1 ZINC000001948662 554006123 /nfs/dbraw/zinc/00/61/23/554006123.db2.gz GXXQLXCIGJHLMK-UXHLAJHPSA-N -1 1 499.408 7.057 50 30 JKEAMM [O-]c1c(Br)cc(Cc2ccccc2Cl)cc1/C=N/c1cc(Cl)ccc1O ZINC000001948653 554006150 /nfs/dbraw/zinc/00/61/50/554006150.db2.gz YNCDHBKUXQOHME-BHGWPJFGSA-N -1 1 451.147 6.509 50 30 JKEAMM [O-]c1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000002062616 554018370 /nfs/dbraw/zinc/01/83/70/554018370.db2.gz BMUJYQGZMQGEBH-LQKURTRISA-N -1 1 456.339 7.396 50 30 JKEAMM CCOC(=O)c1c(/N=C/c2cc(Cc3ccccc3)cc(Br)c2[O-])sc2c1CCCC2 ZINC000002062621 554018422 /nfs/dbraw/zinc/01/84/22/554018422.db2.gz ZMFBMILNIMSNTI-JFLMPSFJSA-N -1 1 498.442 6.613 50 30 JKEAMM C=CCc1cc(C=C2SC(=O)[N-]C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000002169582 554076130 /nfs/dbraw/zinc/07/61/30/554076130.db2.gz IAEMQJVEJFRAIE-XDHOZWIPSA-N -1 1 474.376 5.479 50 30 JKEAMM Cc1cccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)cc(Br)c2[O-])c1 ZINC000002213064 554096338 /nfs/dbraw/zinc/09/63/38/554096338.db2.gz IQSRJWLYFOYWJY-UFWORHAWSA-N -1 1 468.174 5.029 50 30 JKEAMM CCCCCCCCn1c([O-])c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 ZINC000002291440 554135702 /nfs/dbraw/zinc/13/57/02/554135702.db2.gz FAOJEGUJALWLDW-UHFFFAOYSA-N -1 1 461.389 6.627 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccc5ccccc5c4[O-])nc3c1[C@H]2c1ccccc1 ZINC000002435161 554207117 /nfs/dbraw/zinc/20/71/17/554207117.db2.gz UWXKTVCHYSNRKC-QHCPKHFHSA-N -1 1 488.547 5.818 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000002501860 554229283 /nfs/dbraw/zinc/22/92/83/554229283.db2.gz CQXFEXYVQLLLEB-QFIPXVFZSA-N -1 1 469.522 5.422 50 30 JKEAMM [O-]c1c(Br)cc(Br)cc1C=Nn1c(=S)[nH]nc1-c1cccc(Cl)c1 ZINC000002509415 554231452 /nfs/dbraw/zinc/23/14/52/554231452.db2.gz JBZHOTFQJLPXSM-FBCYGCLPSA-N -1 1 488.592 5.374 50 30 JKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4cccc(F)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793448 554480371 /nfs/dbraw/zinc/48/03/71/554480371.db2.gz DRSFEPIAAUWXOR-OAQYLSRUSA-N -1 1 475.589 6.123 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(Cl)cc3)[n-]c(=O)c1[C@@H]2c1ccccc1 ZINC000004793516 554480679 /nfs/dbraw/zinc/48/06/79/554480679.db2.gz GROIQQLWQBONPL-HXUWFJFHSA-N -1 1 478.017 6.329 50 30 JKEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000004793732 554480766 /nfs/dbraw/zinc/48/07/66/554480766.db2.gz UEURFZFEQBLJGD-KRWDZBQOSA-N -1 1 474.424 5.235 50 30 JKEAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(Cl)c1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000006143655 554509154 /nfs/dbraw/zinc/50/91/54/554509154.db2.gz SZTIPVBSKMLUSP-OAHLLOKOSA-N -1 1 464.418 5.779 50 30 JKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)ccc1O ZINC000006239338 554520685 /nfs/dbraw/zinc/52/06/85/554520685.db2.gz XUGWQKIGTBOVEZ-NRFANRHFSA-N -1 1 492.940 5.447 50 30 JKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1c1ccccc1 ZINC000006459058 554542154 /nfs/dbraw/zinc/54/21/54/554542154.db2.gz BNICTZSIJKLWQJ-NRFANRHFSA-N -1 1 464.315 5.241 50 30 JKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1c1ccccc1 ZINC000006459051 554542202 /nfs/dbraw/zinc/54/22/02/554542202.db2.gz BNICTZSIJKLWQJ-OAQYLSRUSA-N -1 1 464.315 5.241 50 30 JKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000006473931 554543888 /nfs/dbraw/zinc/54/38/88/554543888.db2.gz YQDKGDBGLROBBO-ACSYHNTCSA-N -1 1 484.527 5.591 50 30 JKEAMM [O-]c1c(/C=N\c2ccc3oc(-c4ccccc4)nc3c2)cc(Br)c(O)c1Br ZINC000008397988 554572873 /nfs/dbraw/zinc/57/28/73/554572873.db2.gz XMJZFDQNXVCXMP-RMORIDSASA-N -1 1 488.135 6.182 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccco3)sc2c1 ZINC000008738708 554640333 /nfs/dbraw/zinc/64/03/33/554640333.db2.gz UOMSWLZAIKYYLV-NRFANRHFSA-N -1 1 460.511 5.243 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008739852 554641524 /nfs/dbraw/zinc/64/15/24/554641524.db2.gz XQXIEEDXROCDCM-SFHVURJKSA-N -1 1 490.368 5.335 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000008743908 554646843 /nfs/dbraw/zinc/64/68/43/554646843.db2.gz CVZAUKPGAXXSEW-OAQYLSRUSA-N -1 1 460.580 6.012 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008744150 554647186 /nfs/dbraw/zinc/64/71/86/554647186.db2.gz POIKRWZSGFGAGL-HSZRJFAPSA-N -1 1 470.550 5.650 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)nc1C ZINC000008779270 554676179 /nfs/dbraw/zinc/67/61/79/554676179.db2.gz BCQYEAOLEDGQDS-INIZCTEOSA-N -1 1 488.974 5.126 50 30 JKEAMM COc1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008816752 554698719 /nfs/dbraw/zinc/69/87/19/554698719.db2.gz IDZFUROLCMFANG-NRFANRHFSA-N -1 1 460.511 5.298 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008816752 554698721 /nfs/dbraw/zinc/69/87/21/554698721.db2.gz IDZFUROLCMFANG-NRFANRHFSA-N -1 1 460.511 5.298 50 30 JKEAMM COc1cccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000008816809 554698950 /nfs/dbraw/zinc/69/89/50/554698950.db2.gz QGYZYLKERGBNFH-NRFANRHFSA-N -1 1 490.537 5.306 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000008816809 554698953 /nfs/dbraw/zinc/69/89/53/554698953.db2.gz QGYZYLKERGBNFH-NRFANRHFSA-N -1 1 490.537 5.306 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008816904 554698988 /nfs/dbraw/zinc/69/89/88/554698988.db2.gz YROPFSSJLCQYHS-LJQANCHMSA-N -1 1 466.515 5.288 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)o1 ZINC000008816850 554699059 /nfs/dbraw/zinc/69/90/59/554699059.db2.gz DWKVHFBKISEDDQ-DEOSSOPVSA-N -1 1 486.593 6.721 50 30 JKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1 ZINC000008816840 554699067 /nfs/dbraw/zinc/69/90/67/554699067.db2.gz IPXUSQQGBGNBNZ-SFHVURJKSA-N -1 1 499.317 5.574 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000008816968 554699323 /nfs/dbraw/zinc/69/93/23/554699323.db2.gz JQTMDMNTNVHZEN-QHCPKHFHSA-N -1 1 462.933 5.650 50 30 JKEAMM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000008817099 554699610 /nfs/dbraw/zinc/69/96/10/554699610.db2.gz AAQBRWRYVGGKHX-QFIPXVFZSA-N -1 1 490.512 5.236 50 30 JKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000008817099 554699612 /nfs/dbraw/zinc/69/96/12/554699612.db2.gz AAQBRWRYVGGKHX-QFIPXVFZSA-N -1 1 490.512 5.236 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000008817078 554699624 /nfs/dbraw/zinc/69/96/24/554699624.db2.gz IIKHXSNVVTYXTO-QHCPKHFHSA-N -1 1 488.540 5.844 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008817379 554700067 /nfs/dbraw/zinc/70/00/67/554700067.db2.gz QYLSSHPYXBGNBP-HXUWFJFHSA-N -1 1 464.474 5.210 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008817360 554700083 /nfs/dbraw/zinc/70/00/83/554700083.db2.gz HSBXVNFBXOKTNJ-NRFANRHFSA-N -1 1 460.511 5.379 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008817516 554700434 /nfs/dbraw/zinc/70/04/34/554700434.db2.gz BCBJAUNQTNSUMP-IBGZPJMESA-N -1 1 489.380 5.858 50 30 JKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2ccc(F)cc2s1 ZINC000008817700 554700840 /nfs/dbraw/zinc/70/08/40/554700840.db2.gz IXRRGUVMAQIMRC-JOCHJYFZSA-N -1 1 474.513 5.535 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3F)sc2c1 ZINC000008817970 554701190 /nfs/dbraw/zinc/70/11/90/554701190.db2.gz XUWUBFYWAYPENU-IBGZPJMESA-N -1 1 450.516 5.588 50 30 JKEAMM 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Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000009008026 554861847 /nfs/dbraw/zinc/86/18/47/554861847.db2.gz KMIXSTLUCXTTER-QFIPXVFZSA-N -1 1 492.959 6.489 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009007950 554861849 /nfs/dbraw/zinc/86/18/49/554861849.db2.gz YZYWMEPGFDERML-FQEVSTJZSA-N -1 1 462.552 5.458 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000009008055 554862181 /nfs/dbraw/zinc/86/21/81/554862181.db2.gz XXTRXJXHYOWVIG-FQEVSTJZSA-N -1 1 482.895 6.011 50 30 JKEAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(C#N)cc1 ZINC000009018978 554866757 /nfs/dbraw/zinc/86/67/57/554866757.db2.gz CFBCFCMCPNUPOA-UHFFFAOYSA-N -1 1 461.525 5.138 50 30 JKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009270371 555044484 /nfs/dbraw/zinc/04/44/84/555044484.db2.gz RRWPYGGXERCUTL-HSZRJFAPSA-N -1 1 472.541 6.144 50 30 JKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000009461075 555228336 /nfs/dbraw/zinc/22/83/36/555228336.db2.gz NJOHNMSCCCGEEY-QHCPKHFHSA-N -1 1 456.454 5.077 50 30 JKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000009461075 555228339 /nfs/dbraw/zinc/22/83/39/555228339.db2.gz NJOHNMSCCCGEEY-QHCPKHFHSA-N -1 1 456.454 5.077 50 30 JKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009464116 555235342 /nfs/dbraw/zinc/23/53/42/555235342.db2.gz DBNJIRNULPOACU-RUZDIDTESA-N -1 1 496.588 6.122 50 30 JKEAMM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3)cc2)c1 ZINC000009464106 555235397 /nfs/dbraw/zinc/23/53/97/555235397.db2.gz GCUQEMSAERSAKB-XMMPIXPASA-N -1 1 482.561 5.813 50 30 JKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccccc3)cc2)c1 ZINC000009464106 555235401 /nfs/dbraw/zinc/23/54/01/555235401.db2.gz GCUQEMSAERSAKB-XMMPIXPASA-N -1 1 482.561 5.813 50 30 JKEAMM 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CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccs3)sc2c1 ZINC000013552668 555492831 /nfs/dbraw/zinc/49/28/31/555492831.db2.gz TXKOPGHUVHGLTA-FQEVSTJZSA-N -1 1 480.998 6.357 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccs3)sc2c1 ZINC000013552668 555492832 /nfs/dbraw/zinc/49/28/32/555492832.db2.gz TXKOPGHUVHGLTA-FQEVSTJZSA-N -1 1 480.998 6.357 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000013553022 555493251 /nfs/dbraw/zinc/49/32/51/555493251.db2.gz WXTQMLBTFKMODH-NRFANRHFSA-N -1 1 452.894 5.208 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000013569313 555507506 /nfs/dbraw/zinc/50/75/06/555507506.db2.gz VGKBPRXAXZDNGV-HSZRJFAPSA-N -1 1 499.548 5.858 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccs3)sc2c1 ZINC000013570299 555508343 /nfs/dbraw/zinc/50/83/43/555508343.db2.gz WLYJVTJPXQFFIM-FQEVSTJZSA-N -1 1 464.543 5.842 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccs3)sc2c1 ZINC000013570299 555508346 /nfs/dbraw/zinc/50/83/46/555508346.db2.gz WLYJVTJPXQFFIM-FQEVSTJZSA-N -1 1 464.543 5.842 50 30 JKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013570616 555508937 /nfs/dbraw/zinc/50/89/37/555508937.db2.gz ILYSRJBLCJGTFH-QHCPKHFHSA-N -1 1 486.549 5.799 50 30 JKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013570616 555508939 /nfs/dbraw/zinc/50/89/39/555508939.db2.gz ILYSRJBLCJGTFH-QHCPKHFHSA-N -1 1 486.549 5.799 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccs3)sc2c1 ZINC000013570751 555509106 /nfs/dbraw/zinc/50/91/06/555509106.db2.gz LOKHIAZYNOPXBG-SFHVURJKSA-N -1 1 452.582 5.765 50 30 JKEAMM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2F)c1 ZINC000020029246 555604521 /nfs/dbraw/zinc/60/45/21/555604521.db2.gz ONEMTJUBDYOBFD-FQEVSTJZSA-N -1 1 496.288 5.069 50 30 JKEAMM 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CC(C)c1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017113629 556218604 /nfs/dbraw/zinc/21/86/04/556218604.db2.gz MWHHWEMENGIVRP-JOCHJYFZSA-N -1 1 457.599 6.162 50 30 JKEAMM O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1c(=O)[n-]c(SCc3ccc([N+](=O)[O-])cc3)nc1N2 ZINC000017155938 556228647 /nfs/dbraw/zinc/22/86/47/556228647.db2.gz GEMZEKRBCDJGAL-IBGZPJMESA-N -1 1 478.505 5.086 50 30 JKEAMM O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)c1c(=O)[n-]c(SCc3ccc([N+](=O)[O-])cc3)nc1N2 ZINC000017155931 556228745 /nfs/dbraw/zinc/22/87/45/556228745.db2.gz CLFARWCPROCVEJ-IBGZPJMESA-N -1 1 494.960 5.601 50 30 JKEAMM O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c(=O)[n-]c(SCc3ccccc3Cl)nc1N2 ZINC000017177749 556232528 /nfs/dbraw/zinc/23/25/28/556232528.db2.gz YXXHYSGDHMEANE-LJQANCHMSA-N -1 1 467.953 5.832 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c1[C@H]2c1ccccc1 ZINC000017242337 556243149 /nfs/dbraw/zinc/24/31/49/556243149.db2.gz JGHPAEFMJZVYQZ-FQEVSTJZSA-N -1 1 488.569 5.583 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@H]2c1cccc(O)c1 ZINC000017242426 556243270 /nfs/dbraw/zinc/24/32/70/556243270.db2.gz FEYJTXMGRYBMDM-FQEVSTJZSA-N -1 1 494.016 6.034 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@H]2c1cccs1 ZINC000017242541 556243682 /nfs/dbraw/zinc/24/36/82/556243682.db2.gz ATGQOPJNGOQVJA-IBGZPJMESA-N -1 1 467.591 5.463 50 30 JKEAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017316782 556258381 /nfs/dbraw/zinc/25/83/81/556258381.db2.gz VJPOJBQQMFOQFB-JOCHJYFZSA-N -1 1 487.625 5.662 50 30 JKEAMM [O-]c1c(Br)cc(Cc2ccccc2Cl)cc1/C=N/c1ccc(Cc2ccncc2)cc1 ZINC000027500949 556281652 /nfs/dbraw/zinc/28/16/52/556281652.db2.gz PBZFUWGWFJJSOP-OCSSWDANSA-N -1 1 491.816 7.135 50 30 JKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000008384325 562939042 /nfs/dbraw/zinc/93/90/42/562939042.db2.gz UKBQILWQTWFOAB-HXUWFJFHSA-N -1 1 480.542 5.127 50 30 JKEAMM 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Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102929057 569827716 /nfs/dbraw/zinc/82/77/16/569827716.db2.gz HBYFLEHSMJXVTC-WOOAAIBNSA-N -1 1 450.516 5.432 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102929930 569827816 /nfs/dbraw/zinc/82/78/16/569827816.db2.gz PDMFHGSMRZCRSY-WOOAAIBNSA-N -1 1 477.523 5.201 50 30 JKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102929705 569827871 /nfs/dbraw/zinc/82/78/71/569827871.db2.gz ITJLUSUROWASOD-HFEWCJDKSA-N -1 1 476.504 5.818 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102929705 569827873 /nfs/dbraw/zinc/82/78/73/569827873.db2.gz ITJLUSUROWASOD-HFEWCJDKSA-N -1 1 476.504 5.818 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102929984 569828118 /nfs/dbraw/zinc/82/81/18/569828118.db2.gz XGXZLZCGDGDMAQ-LFVOPCPISA-N -1 1 494.569 5.145 50 30 JKEAMM 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CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4c([O-])ccc5cc([N+](=O)[O-])ccc54)ccc3o2)cc1 ZINC000103793305 569838083 /nfs/dbraw/zinc/83/80/83/569838083.db2.gz UJCSCUYIBAPXTG-MUFRIFMGSA-N -1 1 465.509 7.310 50 30 JKEAMM CCN(Cc1ccccc1)c1ccc([C@@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000044973904 569839813 /nfs/dbraw/zinc/83/98/13/569839813.db2.gz OSYZQFRTANJFLR-QFIPXVFZSA-N -1 1 486.641 6.072 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000104085955 569840640 /nfs/dbraw/zinc/84/06/40/569840640.db2.gz OBFYFAJXLAJRDX-MRJHHRETSA-N -1 1 464.315 5.084 50 30 JKEAMM O=C(C=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000135988358 569864454 /nfs/dbraw/zinc/86/44/54/569864454.db2.gz MQWKDISYPJVELY-FOWTUZBSSA-N -1 1 490.350 6.243 50 30 JKEAMM COC(=O)C[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000218226720 569883053 /nfs/dbraw/zinc/88/30/53/569883053.db2.gz KTAGXEHDXOANDO-GOSISDBHSA-N -1 1 464.558 5.525 50 30 JKEAMM [O-]c1c(Cl)cc(Cl)cc1C=Nc1cccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)c1 ZINC000252595048 570084402 /nfs/dbraw/zinc/08/44/02/570084402.db2.gz BXYXBBQGHBLBFG-MHZLTWQESA-N -1 1 486.402 7.805 50 30 JKEAMM [O-]c1c(Cl)cc(Cl)cc1C=Nc1cccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)c1 ZINC000252595047 570084410 /nfs/dbraw/zinc/08/44/10/570084410.db2.gz BXYXBBQGHBLBFG-HHHXNRCGSA-N -1 1 486.402 7.805 50 30 JKEAMM Cc1cc(Br)c([O-])c(C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 ZINC000252621135 570087265 /nfs/dbraw/zinc/08/72/65/570087265.db2.gz MTRDWDRNPNHAEJ-UHFFFAOYSA-N -1 1 486.163 6.784 50 30 JKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C=Nc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000252632226 570089505 /nfs/dbraw/zinc/08/95/05/570089505.db2.gz VRBQGSMIROEVGP-UHFFFAOYSA-N -1 1 480.593 5.944 50 30 JKEAMM CO[C@]1(/C(C)=N/[O-])[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253501640 570102492 /nfs/dbraw/zinc/10/24/92/570102492.db2.gz GXDRQKRSEWVQDF-WWOBQZBESA-N -1 1 481.633 5.381 50 30 JKEAMM 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COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102798319 536658776 /nfs/dbraw/zinc/65/87/76/536658776.db2.gz ACAZOGYMOUXNLH-MRJHHRETSA-N -1 1 464.315 5.084 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000102875626 537054639 /nfs/dbraw/zinc/05/46/39/537054639.db2.gz QPCUWDLGNHBFEQ-LFVOPCPISA-N -1 1 466.515 5.132 50 30 JKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102539621 537055085 /nfs/dbraw/zinc/05/50/85/537055085.db2.gz JGOCHYJXDQANFJ-YDJIHCHBSA-N -1 1 478.551 5.001 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102539621 537055090 /nfs/dbraw/zinc/05/50/90/537055090.db2.gz JGOCHYJXDQANFJ-YDJIHCHBSA-N -1 1 478.551 5.001 50 30 JKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)c1 ZINC000102730797 537073615 /nfs/dbraw/zinc/07/36/15/537073615.db2.gz CZWHFAMIQGRDNY-COUQNMRISA-N -1 1 488.540 5.687 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000000631308 553718071 /nfs/dbraw/zinc/71/80/71/553718071.db2.gz FSOGHOVFSTYBNP-LJQANCHMSA-N -1 1 496.972 5.373 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000635092 553720740 /nfs/dbraw/zinc/72/07/40/553720740.db2.gz WAHYXJBMYIJMJZ-QHCPKHFHSA-N -1 1 499.548 5.430 50 30 JKEAMM COc1ccc([C@H]2Nc3ccccc3C(=O)N2[O-])cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000000654234 553734766 /nfs/dbraw/zinc/73/47/66/553734766.db2.gz AWEAKJRBMDDQEA-QFIPXVFZSA-N -1 1 482.512 5.456 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccccc3F)sc2c1 ZINC000000703119 553761980 /nfs/dbraw/zinc/76/19/80/553761980.db2.gz DBPRCCOKHQTSGA-HSZRJFAPSA-N -1 1 484.508 6.273 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccccc3F)sc2c1 ZINC000000703119 553761982 /nfs/dbraw/zinc/76/19/82/553761982.db2.gz DBPRCCOKHQTSGA-HSZRJFAPSA-N -1 1 484.508 6.273 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccccc3)sc2c1 ZINC000000703111 553761990 /nfs/dbraw/zinc/76/19/90/553761990.db2.gz JYAZQRDXLPHCFK-HSZRJFAPSA-N -1 1 466.518 6.134 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccccc3F)sc2c1 ZINC000000703118 553762007 /nfs/dbraw/zinc/76/20/07/553762007.db2.gz DBPRCCOKHQTSGA-QHCPKHFHSA-N -1 1 484.508 6.273 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccccc3F)sc2c1 ZINC000000703118 553762009 /nfs/dbraw/zinc/76/20/09/553762009.db2.gz DBPRCCOKHQTSGA-QHCPKHFHSA-N -1 1 484.508 6.273 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccs3)sc2c1 ZINC000000703113 553762038 /nfs/dbraw/zinc/76/20/38/553762038.db2.gz ARJORWNVUAKPRL-OAQYLSRUSA-N -1 1 472.547 6.195 50 30 aggregator JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccs3)sc2c1 ZINC000000703112 553762045 /nfs/dbraw/zinc/76/20/45/553762045.db2.gz ARJORWNVUAKPRL-NRFANRHFSA-N -1 1 472.547 6.195 50 30 aggregator JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000000703129 553762479 /nfs/dbraw/zinc/76/24/79/553762479.db2.gz OHVMOUIZIBFASN-XMMPIXPASA-N -1 1 496.544 6.148 50 30 JKEAMM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000000707849 553764621 /nfs/dbraw/zinc/76/46/21/553764621.db2.gz ALTIOUFWZINGLC-HXUWFJFHSA-N -1 1 481.346 5.518 50 30 JKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000000707849 553764624 /nfs/dbraw/zinc/76/46/24/553764624.db2.gz ALTIOUFWZINGLC-HXUWFJFHSA-N -1 1 481.346 5.518 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(C)c(Br)c3)[C@H]2c2ccc(O)cc2)cc1 ZINC000000719966 553771496 /nfs/dbraw/zinc/77/14/96/553771496.db2.gz OFUZVVHKKCAHNV-QFIPXVFZSA-N -1 1 494.341 5.255 50 30 JKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)c(Br)c3)[C@@H]2c2cccc(F)c2)cc1 ZINC000000720400 553771967 /nfs/dbraw/zinc/77/19/67/553771967.db2.gz MWGVHSOXKNUHFL-JOCHJYFZSA-N -1 1 496.332 5.688 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(C)c(Br)c3)[C@@H]2c2cccc(F)c2)cc1 ZINC000000720400 553771969 /nfs/dbraw/zinc/77/19/69/553771969.db2.gz MWGVHSOXKNUHFL-JOCHJYFZSA-N -1 1 496.332 5.688 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000000856605 553800518 /nfs/dbraw/zinc/80/05/18/553800518.db2.gz XGWZNXNOSBEPQS-FQEVSTJZSA-N -1 1 479.286 5.140 50 30 JKEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N3)cc1 ZINC000000937254 553874231 /nfs/dbraw/zinc/87/42/31/553874231.db2.gz QXGBYQIFXZESFN-FQEVSTJZSA-N -1 1 497.542 5.954 50 30 JKEAMM C=CCn1c(CSc2nc(-c3ccccc3)cn2-c2ccc(OC)cc2OC)n[n-]c1=S ZINC000001036501 553901304 /nfs/dbraw/zinc/90/13/04/553901304.db2.gz WFLXQVOASSCWHW-UHFFFAOYSA-N -1 1 465.604 5.289 50 30 JKEAMM COc1cccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000001052654 553901744 /nfs/dbraw/zinc/90/17/44/553901744.db2.gz NXCHTALJOUFISU-OAQYLSRUSA-N -1 1 490.537 5.306 50 30 JKEAMM COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000001052654 553901746 /nfs/dbraw/zinc/90/17/46/553901746.db2.gz NXCHTALJOUFISU-OAQYLSRUSA-N -1 1 490.537 5.306 50 30 JKEAMM COc1cccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000001052648 553901873 /nfs/dbraw/zinc/90/18/73/553901873.db2.gz NXCHTALJOUFISU-NRFANRHFSA-N -1 1 490.537 5.306 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000001052648 553901875 /nfs/dbraw/zinc/90/18/75/553901875.db2.gz NXCHTALJOUFISU-NRFANRHFSA-N -1 1 490.537 5.306 50 30 JKEAMM CC1(C)SC(=S)N(/N=C/c2cccnc2)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001061818 553903107 /nfs/dbraw/zinc/90/31/07/553903107.db2.gz UQPZJUBPEYHWHL-WPZNHYQYSA-N -1 1 470.407 5.084 50 30 JKEAMM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000001155537 553918769 /nfs/dbraw/zinc/91/87/69/553918769.db2.gz IFBFDGUAGAVGLC-RCCKNPSSSA-N -1 1 462.571 5.046 50 30 JKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000001164791 553920024 /nfs/dbraw/zinc/92/00/24/553920024.db2.gz HABVMCYCDCPLEX-JOCHJYFZSA-N -1 1 493.357 5.334 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000001164791 553920028 /nfs/dbraw/zinc/92/00/28/553920028.db2.gz HABVMCYCDCPLEX-JOCHJYFZSA-N -1 1 493.357 5.334 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccc2)c1 ZINC000001208937 553932979 /nfs/dbraw/zinc/93/29/79/553932979.db2.gz KRVFJFOKMRYXDO-NRFANRHFSA-N -1 1 464.315 5.241 50 30 JKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001221289 553934303 /nfs/dbraw/zinc/93/43/03/553934303.db2.gz TTZUDXORABLPAE-OAQYLSRUSA-N -1 1 473.598 5.684 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000001450374 553973632 /nfs/dbraw/zinc/97/36/32/553973632.db2.gz QPQKWADSPAUJJB-NRFANRHFSA-N -1 1 497.345 5.316 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000001450620 553973682 /nfs/dbraw/zinc/97/36/82/553973682.db2.gz YGDFLKVWEZJSJD-QHCPKHFHSA-N -1 1 470.550 5.650 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000001450375 553973788 /nfs/dbraw/zinc/97/37/88/553973788.db2.gz QPQKWADSPAUJJB-OAQYLSRUSA-N -1 1 497.345 5.316 50 30 JKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(O)c2)c1 ZINC000001451487 553974134 /nfs/dbraw/zinc/97/41/34/553974134.db2.gz RHIRYAHYPODFQI-JOCHJYFZSA-N -1 1 472.522 5.102 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccn2)cc1 ZINC000001451927 553974165 /nfs/dbraw/zinc/97/41/65/553974165.db2.gz NOCVSCKGJPSFDS-HSZRJFAPSA-N -1 1 485.565 5.490 50 30 JKEAMM CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])c1 ZINC000001948848 554006089 /nfs/dbraw/zinc/00/60/89/554006089.db2.gz HONXXMAYQBXCTB-FYDYWCEBSA-N -1 1 472.810 7.369 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002057274 554015042 /nfs/dbraw/zinc/01/50/42/554015042.db2.gz XOGHRXKUUPBKQB-FQEVSTJZSA-N -1 1 492.280 6.795 50 30 JKEAMM CC[C@@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000002260301 554121473 /nfs/dbraw/zinc/12/14/73/554121473.db2.gz OBONTDVRYOUOGG-WJGWSCHNSA-N -1 1 456.811 7.663 50 30 JKEAMM COc1ccc(-c2oc(/N=C/c3c([O-])ccc4ccccc43)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000002277284 554129326 /nfs/dbraw/zinc/12/93/26/554129326.db2.gz ABBFRGPIDORDNC-KCSSXMTESA-N -1 1 474.516 7.112 50 30 JKEAMM C=CCn1c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(=O)c2ccccc21 ZINC000002291368 554135630 /nfs/dbraw/zinc/13/56/30/554135630.db2.gz RIGRLRNTPPGUGB-UHFFFAOYSA-N -1 1 467.550 5.731 50 30 JKEAMM CCC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3nc4nc(C)cc(C(F)F)n4n3)sc2C1 ZINC000002768812 554335080 /nfs/dbraw/zinc/33/50/80/554335080.db2.gz LSAPOFWLVMXTTD-GFCCVEGCSA-N -1 1 458.538 5.097 50 30 JKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793461 554480346 /nfs/dbraw/zinc/48/03/46/554480346.db2.gz IUFHXINPUPOGCA-OAQYLSRUSA-N -1 1 492.044 6.225 50 30 JKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793322 554480402 /nfs/dbraw/zinc/48/04/02/554480402.db2.gz HHAMSMGNIABUBM-QFIPXVFZSA-N -1 1 471.626 6.292 50 30 JKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(/N=C/c3ccccc3)cc2-c2nc3ccccc3s2)cc1 ZINC000006023858 554500634 /nfs/dbraw/zinc/50/06/34/554500634.db2.gz ZUIQEBQEMHOOBS-MTDXEUNCSA-N -1 1 483.618 6.823 50 30 JKEAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(Cl)c1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000006143654 554509114 /nfs/dbraw/zinc/50/91/14/554509114.db2.gz SZTIPVBSKMLUSP-HNNXBMFYSA-N -1 1 464.418 5.779 50 30 JKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000006212232 554520149 /nfs/dbraw/zinc/52/01/49/554520149.db2.gz YGJZGPVCIWWRGM-FQEVSTJZSA-N -1 1 481.892 5.317 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000006446139 554540491 /nfs/dbraw/zinc/54/04/91/554540491.db2.gz FTVMJBCKYJMMNJ-FQEVSTJZSA-N -1 1 452.825 5.170 50 30 JKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000006474009 554543867 /nfs/dbraw/zinc/54/38/67/554543867.db2.gz YQDKGDBGLROBBO-AFJIDDCJSA-N -1 1 484.527 5.591 50 30 JKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000006473920 554543907 /nfs/dbraw/zinc/54/39/07/554543907.db2.gz YQDKGDBGLROBBO-OLILMLBXSA-N -1 1 484.527 5.591 50 30 JKEAMM O=C1/C(=C\c2ccc([O-])c(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000008408039 554577312 /nfs/dbraw/zinc/57/73/12/554577312.db2.gz NESOAEXYHGXFKE-LISDSOCTSA-N -1 1 465.372 5.959 50 30 JKEAMM COc1ccc(-c2cn(/N=C/c3ccc(Cl)cc3Cl)c(/N=C/c3cc(Cl)ccc3[O-])n2)cc1 ZINC000008437370 554588252 /nfs/dbraw/zinc/58/82/52/554588252.db2.gz YLAFTIJRPRWAON-UUYAOZHUSA-N -1 1 499.785 6.857 50 30 JKEAMM Cc1cccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008440350 554591132 /nfs/dbraw/zinc/59/11/32/554591132.db2.gz MKQPMSSHPAPOFL-NRFANRHFSA-N -1 1 492.044 6.225 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008738657 554640250 /nfs/dbraw/zinc/64/02/50/554640250.db2.gz SOPAJFCEGPUXHE-NRFANRHFSA-N -1 1 476.579 5.712 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccco3)sc2c1 ZINC000008738707 554640350 /nfs/dbraw/zinc/64/03/50/554640350.db2.gz UOMSWLZAIKYYLV-OAQYLSRUSA-N -1 1 460.511 5.243 50 30 JKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008744048 554646853 /nfs/dbraw/zinc/64/68/53/554646853.db2.gz LNJFLFJRPFAYPT-HSZRJFAPSA-N -1 1 488.565 5.942 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008744048 554646856 /nfs/dbraw/zinc/64/68/56/554646856.db2.gz LNJFLFJRPFAYPT-HSZRJFAPSA-N -1 1 488.565 5.942 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008744151 554647100 /nfs/dbraw/zinc/64/71/00/554647100.db2.gz POIKRWZSGFGAGL-QHCPKHFHSA-N -1 1 470.550 5.650 50 30 JKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000008772004 554671868 /nfs/dbraw/zinc/67/18/68/554671868.db2.gz ZKGLTWLCZPWAAF-IBGZPJMESA-N -1 1 494.569 5.220 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000008779303 554676607 /nfs/dbraw/zinc/67/66/07/554676607.db2.gz QUJAVJOFKOUTGH-MRXNPFEDSA-N -1 1 488.974 5.126 50 30 JKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008816751 554698835 /nfs/dbraw/zinc/69/88/35/554698835.db2.gz IDZFUROLCMFANG-OAQYLSRUSA-N -1 1 460.511 5.298 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008816751 554698836 /nfs/dbraw/zinc/69/88/36/554698836.db2.gz IDZFUROLCMFANG-OAQYLSRUSA-N -1 1 460.511 5.298 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C ZINC000008816978 554699292 /nfs/dbraw/zinc/69/92/92/554699292.db2.gz BCAMHFMAOLQKDP-NRFANRHFSA-N -1 1 481.017 6.494 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008817031 554699317 /nfs/dbraw/zinc/69/93/17/554699317.db2.gz TXXAPMZIVHGFTQ-OAQYLSRUSA-N -1 1 489.484 5.435 50 30 JKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000008817077 554699559 /nfs/dbraw/zinc/69/95/59/554699559.db2.gz IIKHXSNVVTYXTO-HSZRJFAPSA-N -1 1 488.540 5.844 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008817797 554700889 /nfs/dbraw/zinc/70/08/89/554700889.db2.gz FMNXEDKLHRUIFA-NRFANRHFSA-N -1 1 462.477 5.666 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3F)sc2c1 ZINC000008817969 554701231 /nfs/dbraw/zinc/70/12/31/554701231.db2.gz XUWUBFYWAYPENU-LJQANCHMSA-N -1 1 450.516 5.588 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)cc1 ZINC000008818014 554701452 /nfs/dbraw/zinc/70/14/52/554701452.db2.gz LLPYKLYDGLONRV-QFIPXVFZSA-N -1 1 474.513 5.535 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000008836686 554736780 /nfs/dbraw/zinc/73/67/80/554736780.db2.gz RWJOXEIBHHVSBE-HSZRJFAPSA-N -1 1 486.549 5.487 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000008837008 554737411 /nfs/dbraw/zinc/73/74/11/554737411.db2.gz HNJYOQBVIHECQM-QFIPXVFZSA-N -1 1 456.523 5.396 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008837150 554737903 /nfs/dbraw/zinc/73/79/03/554737903.db2.gz JNSPBYUXOALHNZ-HSZRJFAPSA-N -1 1 486.549 5.487 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000008837700 554738838 /nfs/dbraw/zinc/73/88/38/554738838.db2.gz SDSHIHUIWLWRAT-JOCHJYFZSA-N -1 1 458.514 5.835 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000008838155 554739512 /nfs/dbraw/zinc/73/95/12/554739512.db2.gz JYDJQWJSOOCYCO-SFHVURJKSA-N -1 1 469.906 5.104 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000008838154 554739531 /nfs/dbraw/zinc/73/95/31/554739531.db2.gz JYDJQWJSOOCYCO-GOSISDBHSA-N -1 1 469.906 5.104 50 30 JKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(F)c2)cc1Br ZINC000008846473 554745121 /nfs/dbraw/zinc/74/51/21/554745121.db2.gz YMYQXAWEONPRSG-NRFANRHFSA-N -1 1 466.306 5.680 50 30 JKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1Br ZINC000008846473 554745123 /nfs/dbraw/zinc/74/51/23/554745123.db2.gz YMYQXAWEONPRSG-NRFANRHFSA-N -1 1 466.306 5.680 50 30 JKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccs1 ZINC000008856127 554752046 /nfs/dbraw/zinc/75/20/46/554752046.db2.gz JLYAGVJOKHVVCE-SGANQWHYSA-N -1 1 462.527 5.107 50 30 JKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2)cc1Cl ZINC000008893531 554782261 /nfs/dbraw/zinc/78/22/61/554782261.db2.gz UTPKHRYQUPMPCE-IBGZPJMESA-N -1 1 454.935 5.205 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2)cc1Cl ZINC000008893531 554782264 /nfs/dbraw/zinc/78/22/64/554782264.db2.gz UTPKHRYQUPMPCE-IBGZPJMESA-N -1 1 454.935 5.205 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000008894094 554783225 /nfs/dbraw/zinc/78/32/25/554783225.db2.gz JBFNYFGDQAHRSX-JOCHJYFZSA-N -1 1 474.969 6.295 50 30 JKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000008894327 554783320 /nfs/dbraw/zinc/78/33/20/554783320.db2.gz QKQNHLQTBLJEOR-HSZRJFAPSA-N -1 1 488.565 6.023 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894555 554783943 /nfs/dbraw/zinc/78/39/43/554783943.db2.gz ZMPUXGJNAQIQOZ-XMMPIXPASA-N -1 1 484.577 6.040 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008894651 554783959 /nfs/dbraw/zinc/78/39/59/554783959.db2.gz YQSQGGMBXDGGMK-NRFANRHFSA-N -1 1 489.509 5.451 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008894807 554784307 /nfs/dbraw/zinc/78/43/07/554784307.db2.gz UOOMBKPAKJZOIS-DEOSSOPVSA-N -1 1 474.557 5.851 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000008896164 554785661 /nfs/dbraw/zinc/78/56/61/554785661.db2.gz WGTGZPRVVULFHD-OAQYLSRUSA-N -1 1 462.477 5.666 50 30 JKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000008896080 554785682 /nfs/dbraw/zinc/78/56/82/554785682.db2.gz HXLMGNIXMTUWFS-NRFANRHFSA-N -1 1 497.345 5.317 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccs2)cc1Cl ZINC000008896231 554785828 /nfs/dbraw/zinc/78/58/28/554785828.db2.gz JHNDYXWIRPICLT-KRWDZBQOSA-N -1 1 460.964 5.266 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)cc1 ZINC000008896352 554785862 /nfs/dbraw/zinc/78/58/62/554785862.db2.gz MWMXXCHTVPBKQG-QHCPKHFHSA-N -1 1 488.540 5.844 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008896625 554786536 /nfs/dbraw/zinc/78/65/36/554786536.db2.gz BXNNUZMQMLPEKF-DEOSSOPVSA-N -1 1 458.514 5.454 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008896814 554786773 /nfs/dbraw/zinc/78/67/73/554786773.db2.gz DDBCUTOZRBOAQU-QFIPXVFZSA-N -1 1 476.504 5.920 50 30 JKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(Br)c2)cc1 ZINC000008896765 554786812 /nfs/dbraw/zinc/78/68/12/554786812.db2.gz CJLSZWAQOKMXRY-QFIPXVFZSA-N -1 1 493.357 5.414 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008896729 554786883 /nfs/dbraw/zinc/78/68/83/554786883.db2.gz ZQNTWPQWTOURHN-HSZRJFAPSA-N -1 1 460.530 5.462 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008899920 554791491 /nfs/dbraw/zinc/79/14/91/554791491.db2.gz JQZXCEAZVGFHDF-NRFANRHFSA-N -1 1 476.579 5.848 50 30 JKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008903265 554797264 /nfs/dbraw/zinc/79/72/64/554797264.db2.gz ZQOSDEKWLIFMKX-JOCHJYFZSA-N -1 1 491.341 5.192 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008903265 554797266 /nfs/dbraw/zinc/79/72/66/554797266.db2.gz ZQOSDEKWLIFMKX-JOCHJYFZSA-N -1 1 491.341 5.192 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000008903330 554797486 /nfs/dbraw/zinc/79/74/86/554797486.db2.gz DLMQAMCWUDKUPW-HXUWFJFHSA-N -1 1 493.447 5.266 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008903929 554798208 /nfs/dbraw/zinc/79/82/08/554798208.db2.gz WNXCFQRAKHJHOY-LJQANCHMSA-N -1 1 450.516 5.588 50 30 JKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008904254 554798534 /nfs/dbraw/zinc/79/85/34/554798534.db2.gz MVQJLOVQZAPWMO-NRFANRHFSA-N -1 1 478.932 6.180 50 30 JKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000008905503 554799897 /nfs/dbraw/zinc/79/98/97/554799897.db2.gz LTAXAWRJNWCYQA-IBGZPJMESA-N -1 1 499.386 5.314 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000008905503 554799900 /nfs/dbraw/zinc/79/99/00/554799900.db2.gz LTAXAWRJNWCYQA-IBGZPJMESA-N -1 1 499.386 5.314 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008914642 554807625 /nfs/dbraw/zinc/80/76/25/554807625.db2.gz UWGDWUSPJZSZHY-QFIPXVFZSA-N -1 1 490.537 5.252 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008915016 554808090 /nfs/dbraw/zinc/80/80/90/554808090.db2.gz UWGDWUSPJZSZHY-JOCHJYFZSA-N -1 1 490.537 5.252 50 30 JKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000008919336 554816061 /nfs/dbraw/zinc/81/60/61/554816061.db2.gz FLFVMHZFYZCTTN-HXUWFJFHSA-N -1 1 484.961 5.213 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000008919336 554816064 /nfs/dbraw/zinc/81/60/64/554816064.db2.gz FLFVMHZFYZCTTN-HXUWFJFHSA-N -1 1 484.961 5.213 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 ZINC000008919476 554816257 /nfs/dbraw/zinc/81/62/57/554816257.db2.gz ZJXVULKFQRSZCQ-OAQYLSRUSA-N -1 1 460.511 5.379 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008920987 554817703 /nfs/dbraw/zinc/81/77/03/554817703.db2.gz UZWQKYXSNUKBOH-LJQANCHMSA-N -1 1 497.370 5.253 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008921188 554817897 /nfs/dbraw/zinc/81/78/97/554817897.db2.gz IFFUCWBAXBLFJQ-JOCHJYFZSA-N -1 1 490.968 6.131 50 30 JKEAMM O=C1C(=O)N(c2nccs2)[C@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccccc1 ZINC000008922968 554819989 /nfs/dbraw/zinc/81/99/89/554819989.db2.gz QEMPCNKAXPNLDV-JOCHJYFZSA-N -1 1 454.507 5.718 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000008922968 554819991 /nfs/dbraw/zinc/81/99/91/554819991.db2.gz QEMPCNKAXPNLDV-JOCHJYFZSA-N -1 1 454.507 5.718 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008934739 554829312 /nfs/dbraw/zinc/82/93/12/554829312.db2.gz BFQBZFGCDUZVPN-QFIPXVFZSA-N -1 1 474.969 6.295 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008934723 554829326 /nfs/dbraw/zinc/82/93/26/554829326.db2.gz UFWVVMVEXCCZHM-QHCPKHFHSA-N -1 1 488.540 5.789 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008934723 554829329 /nfs/dbraw/zinc/82/93/29/554829329.db2.gz UFWVVMVEXCCZHM-QHCPKHFHSA-N -1 1 488.540 5.789 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008934730 554829393 /nfs/dbraw/zinc/82/93/93/554829393.db2.gz IBIYGROQOGSEHE-HSZRJFAPSA-N -1 1 488.540 5.789 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008934730 554829397 /nfs/dbraw/zinc/82/93/97/554829397.db2.gz IBIYGROQOGSEHE-HSZRJFAPSA-N -1 1 488.540 5.789 50 30 JKEAMM CC1(C)SC(=S)N(/N=C/c2c(F)cccc2Cl)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000008951289 554833918 /nfs/dbraw/zinc/83/39/18/554833918.db2.gz RNVVIXFSHSZGLG-GENGVREBSA-N -1 1 487.409 5.828 50 30 JKEAMM CC1(C)SC(=S)N(/N=C/c2ccccc2F)[C@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008951233 554833955 /nfs/dbraw/zinc/83/39/55/554833955.db2.gz FQAJBXHLTGKPMP-VYPBGABDSA-N -1 1 487.409 5.828 50 30 JKEAMM CC1(C)SC(=S)N(/N=C/c2cccs2)[C@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008951412 554834286 /nfs/dbraw/zinc/83/42/86/554834286.db2.gz HTGBNFHOWQOWDW-IEEVUCOHSA-N -1 1 475.448 5.751 50 30 JKEAMM 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CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccs3)sc2c1 ZINC000013570300 555508373 /nfs/dbraw/zinc/50/83/73/555508373.db2.gz WLYJVTJPXQFFIM-HXUWFJFHSA-N -1 1 464.543 5.842 50 30 JKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccs3)sc2c1 ZINC000013570300 555508375 /nfs/dbraw/zinc/50/83/75/555508375.db2.gz WLYJVTJPXQFFIM-HXUWFJFHSA-N -1 1 464.543 5.842 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000013571587 555510006 /nfs/dbraw/zinc/51/00/06/555510006.db2.gz OOVLMEFOTCOBFV-IBGZPJMESA-N -1 1 469.722 5.280 50 30 JKEAMM C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)[N-]C(=O)c1ccc(Cl)cc1 ZINC000023955642 556103920 /nfs/dbraw/zinc/10/39/20/556103920.db2.gz ICHRXSAPEJSIBY-UHFFFAOYSA-N -1 1 499.036 5.177 50 30 JKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(C)o2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000016944327 556182362 /nfs/dbraw/zinc/18/23/62/556182362.db2.gz IRENLNCWNBVNGB-QFIPXVFZSA-N -1 1 474.538 5.606 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2cccc(F)c2)cc1 ZINC000016993654 556197988 /nfs/dbraw/zinc/19/79/88/556197988.db2.gz IRRZPXCAJARDIP-OAQYLSRUSA-N -1 1 455.407 5.936 50 30 JKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017041224 556208069 /nfs/dbraw/zinc/20/80/69/556208069.db2.gz GAIDHNANKMHJOQ-HXUWFJFHSA-N -1 1 474.542 5.256 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000017145559 556225743 /nfs/dbraw/zinc/22/57/43/556225743.db2.gz BKONXUNWTSKLOX-JOCHJYFZSA-N -1 1 494.341 5.249 50 30 JKEAMM O=C1CCCC2=C1[C@H](c1cccc(F)c1)c1c(=O)[n-]c(SCc3ccc([N+](=O)[O-])cc3)nc1N2 ZINC000017155070 556227929 /nfs/dbraw/zinc/22/79/29/556227929.db2.gz BEKPITIPXQVYGZ-IBGZPJMESA-N -1 1 478.505 5.086 50 30 JKEAMM O=C1CCCC2=C1[C@@H](c1cccc(O)c1)c1c(=O)[n-]c(SCc3ccccc3Cl)nc1N2 ZINC000017177780 556232590 /nfs/dbraw/zinc/23/25/90/556232590.db2.gz YCSSQHDQQPVPDA-LJQANCHMSA-N -1 1 465.962 5.398 50 30 JKEAMM O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000017189602 556235887 /nfs/dbraw/zinc/23/58/87/556235887.db2.gz LBECVGXFOJNTPH-LJQANCHMSA-N -1 1 494.414 5.802 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@H]2c1ccc(F)cc1 ZINC000017242447 556243483 /nfs/dbraw/zinc/24/34/83/556243483.db2.gz HYGMWTLZNRWNEQ-FQEVSTJZSA-N -1 1 479.552 5.953 50 30 JKEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000017242511 556243559 /nfs/dbraw/zinc/24/35/59/556243559.db2.gz CZKAMNZALJFKAB-NRFANRHFSA-N -1 1 491.588 5.823 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@H]2c1cccc(O)c1 ZINC000017242502 556243643 /nfs/dbraw/zinc/24/36/43/556243643.db2.gz IDQMCZZFWQVOJR-FQEVSTJZSA-N -1 1 477.561 5.520 50 30 JKEAMM CCOc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017307585 556255176 /nfs/dbraw/zinc/25/51/76/556255176.db2.gz KNRIJXLXKKYCHT-NRFANRHFSA-N -1 1 477.561 5.577 50 30 JKEAMM CCCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(CC)cc2)s1 ZINC000027022144 556271385 /nfs/dbraw/zinc/27/13/85/556271385.db2.gz URFFAONQQJLCFI-FQEVSTJZSA-N -1 1 479.627 5.694 50 30 JKEAMM CCn1cc(/C=C2\Oc3c(ccc([O-])c3CN(C)Cc3ccccc3)C2=O)c2cc(OC)ccc21 ZINC000028182804 556316866 /nfs/dbraw/zinc/31/68/66/556316866.db2.gz SGRIDURZBZHTAS-VYYCAZPPSA-N -1 1 468.553 5.624 50 30 JKEAMM N#Cc1c2c(sc1/N=C/c1cc(Br)ccc1[O-])CN(Cc1ccccc1)CC2 ZINC000019720343 556361883 /nfs/dbraw/zinc/36/18/83/556361883.db2.gz MVOXVPMYOSWABT-BRJLIKDPSA-N -1 1 452.377 5.397 50 30 JKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008384335 569589396 /nfs/dbraw/zinc/58/93/96/569589396.db2.gz UEXICHVXOHYMRL-QHCPKHFHSA-N -1 1 486.549 5.854 50 30 JKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008384335 569589397 /nfs/dbraw/zinc/58/93/97/569589397.db2.gz UEXICHVXOHYMRL-QHCPKHFHSA-N -1 1 486.549 5.854 50 30 JKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2ccccc2)nc1C ZINC000008441103 569590152 /nfs/dbraw/zinc/59/01/52/569590152.db2.gz NKVNTGIYHYBMGL-HXUWFJFHSA-N -1 1 458.495 5.183 50 30 JKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)nc1C ZINC000008441103 569590154 /nfs/dbraw/zinc/59/01/54/569590154.db2.gz NKVNTGIYHYBMGL-HXUWFJFHSA-N -1 1 458.495 5.183 50 30 JKEAMM COc1ccc(/C=N/c2ccc([N-]S(=O)(=O)c3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000071769706 569697772 /nfs/dbraw/zinc/69/77/72/569697772.db2.gz SWHKRXIUDSNYJU-CZYCKNNWSA-N -1 1 499.592 6.006 50 30 JKEAMM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(occ(-c5ccc(OC)cc5)c4=O)c32)cc1 ZINC000096113900 569733099 /nfs/dbraw/zinc/73/30/99/569733099.db2.gz CHOUXDRWIWXNIN-NRFANRHFSA-N -1 1 484.504 5.570 50 30 biogenic JKEAMM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)cc5)coc-4c32)cc1 ZINC000096113900 569733100 /nfs/dbraw/zinc/73/31/00/569733100.db2.gz CHOUXDRWIWXNIN-NRFANRHFSA-N -1 1 484.504 5.570 50 30 biogenic JKEAMM C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096113971 569733131 /nfs/dbraw/zinc/73/31/31/569733131.db2.gz HBICLMRDXXVMCS-GOSISDBHSA-N -1 1 470.477 5.267 50 30 biogenic JKEAMM N#Cc1c2c(sc1/N=C\c1cc(Br)ccc1[O-])CN(Cc1ccccc1)CC2 ZINC000097137927 569744562 /nfs/dbraw/zinc/74/45/62/569744562.db2.gz MVOXVPMYOSWABT-ROTLSHHCSA-N -1 1 452.377 5.397 50 30 JKEAMM CCCCCCCCN1C(=O)N(c2ccccc2)[C@H](N([O-])C(=O)Nc2ccccc2)C1(C)C ZINC000097949715 569746902 /nfs/dbraw/zinc/74/69/02/569746902.db2.gz CLOAIKGNVOEWQQ-HSZRJFAPSA-N -1 1 452.599 6.317 50 30 JKEAMM CCCCCCCCCn1c([O-])c(C(=O)Nc2ccsc2C(=O)OC)c(=O)c2ccccc21 ZINC000097950378 569747017 /nfs/dbraw/zinc/74/70/17/569747017.db2.gz URSOLCHKXJMRDP-UHFFFAOYSA-N -1 1 470.591 5.558 50 30 JKEAMM CCCCCCCCOc1ccc([N-]S(=O)(=O)c2ccc3oc4cc([N+](=O)[O-])ccc4c3c2)cc1 ZINC000098007093 569749458 /nfs/dbraw/zinc/74/94/58/569749458.db2.gz YUDJPMKZYHKEGB-UHFFFAOYSA-N -1 1 496.585 7.034 50 30 JKEAMM CCCCCCCCS(=O)(=O)CCCCOC(=O)[N-]C(=O)c1ccc(C(F)(F)F)cc1 ZINC000098006108 569749481 /nfs/dbraw/zinc/74/94/81/569749481.db2.gz WKXNDEXXNFNUBF-UHFFFAOYSA-N -1 1 465.534 5.127 50 30 JKEAMM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072708 569750176 /nfs/dbraw/zinc/75/01/76/569750176.db2.gz OAOXYNXBRCMMEV-UHFFFAOYSA-N -1 1 466.172 5.427 50 30 JKEAMM O=C(C=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000100050150 569751947 /nfs/dbraw/zinc/75/19/47/569751947.db2.gz FKUTWKVKAJWGQC-PDGQHHTCSA-N -1 1 490.350 6.399 50 30 JKEAMM COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])cc1Cl ZINC000100293174 569756959 /nfs/dbraw/zinc/75/69/59/569756959.db2.gz FDRYAYFFYOUHFH-BRJLIKDPSA-N -1 1 465.174 6.812 50 30 JKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000100342936 569757674 /nfs/dbraw/zinc/75/76/74/569757674.db2.gz WQLDWKGORWLHOI-MOBKVPTQSA-N -1 1 483.442 5.349 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000100342936 569757675 /nfs/dbraw/zinc/75/76/75/569757675.db2.gz WQLDWKGORWLHOI-MOBKVPTQSA-N -1 1 483.442 5.349 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000100439657 569761226 /nfs/dbraw/zinc/76/12/26/569761226.db2.gz WECMQEOCVFTQMT-NHFXJNLRSA-N -1 1 468.387 5.240 50 30 JKEAMM CCCCCCCCCCCCCCCCCC([O-])=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100741152 569768284 /nfs/dbraw/zinc/76/82/84/569768284.db2.gz GDIYHZZQTFJOHE-LOSJGSFVSA-N -1 1 464.687 6.791 50 30 biogenic JKEAMM CCCCCCCCCCCCCCCCCC(=O)C1=C([O-])CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100741152 569768285 /nfs/dbraw/zinc/76/82/85/569768285.db2.gz GDIYHZZQTFJOHE-LOSJGSFVSA-N -1 1 464.687 6.791 50 30 biogenic JKEAMM CCCCCCCCCCCCCCCCCC([O-])=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100741148 569768291 /nfs/dbraw/zinc/76/82/91/569768291.db2.gz GDIYHZZQTFJOHE-RPBOFIJWSA-N -1 1 464.687 6.791 50 30 biogenic JKEAMM CCCCCCCCCCCCCCCCCC(=O)C1=C([O-])CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100741148 569768292 /nfs/dbraw/zinc/76/82/92/569768292.db2.gz GDIYHZZQTFJOHE-RPBOFIJWSA-N -1 1 464.687 6.791 50 30 biogenic JKEAMM CCCCCCCCCCCCCCCCCC([O-])=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100741150 569768313 /nfs/dbraw/zinc/76/83/13/569768313.db2.gz GDIYHZZQTFJOHE-JWQCQUIFSA-N -1 1 464.687 6.791 50 30 biogenic JKEAMM CCCCCCCCCCCCCCCCCC(=O)C1=C([O-])CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100741150 569768314 /nfs/dbraw/zinc/76/83/14/569768314.db2.gz GDIYHZZQTFJOHE-JWQCQUIFSA-N -1 1 464.687 6.791 50 30 biogenic JKEAMM CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc21 ZINC000100821795 569771504 /nfs/dbraw/zinc/77/15/04/569771504.db2.gz ITCLCEFLXBTTPI-UHFFFAOYSA-N -1 1 457.592 6.286 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@H]2c1ccc(O)cc1 ZINC000100888112 569774366 /nfs/dbraw/zinc/77/43/66/569774366.db2.gz VSZHZNCVBMKCOC-FQEVSTJZSA-N -1 1 477.561 5.108 50 30 JKEAMM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccccc2)no1 ZINC000101062507 569780750 /nfs/dbraw/zinc/78/07/50/569780750.db2.gz OUDWLWITJKJVSY-YDJIHCHBSA-N -1 1 481.346 5.361 50 30 JKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2)no1 ZINC000101062507 569780751 /nfs/dbraw/zinc/78/07/51/569780751.db2.gz OUDWLWITJKJVSY-YDJIHCHBSA-N -1 1 481.346 5.361 50 30 JKEAMM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000101062621 569780806 /nfs/dbraw/zinc/78/08/06/569780806.db2.gz IXKFTJRJKUVGLB-WOOAAIBNSA-N -1 1 497.414 5.829 50 30 JKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000101062621 569780807 /nfs/dbraw/zinc/78/08/07/569780807.db2.gz IXKFTJRJKUVGLB-WOOAAIBNSA-N -1 1 497.414 5.829 50 30 JKEAMM O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069923 569781022 /nfs/dbraw/zinc/78/10/22/569781022.db2.gz FNVIYDZWTACQAL-NHFXJNLRSA-N -1 1 452.279 5.215 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069923 569781024 /nfs/dbraw/zinc/78/10/24/569781024.db2.gz FNVIYDZWTACQAL-NHFXJNLRSA-N -1 1 452.279 5.215 50 30 JKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069848 569781046 /nfs/dbraw/zinc/78/10/46/569781046.db2.gz VBTYQOUQDMLCHT-JBCNATCCSA-N -1 1 493.313 5.292 50 30 JKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069848 569781047 /nfs/dbraw/zinc/78/10/47/569781047.db2.gz VBTYQOUQDMLCHT-JBCNATCCSA-N -1 1 493.313 5.292 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000101069805 569781145 /nfs/dbraw/zinc/78/11/45/569781145.db2.gz KZBIZKZWGMAARX-NHFXJNLRSA-N -1 1 486.724 5.868 50 30 JKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1 ZINC000101101549 569782906 /nfs/dbraw/zinc/78/29/06/569782906.db2.gz ULOSAJYWBLDRGH-SELCWUDQSA-N -1 1 499.317 5.417 50 30 JKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1 ZINC000101101550 569782924 /nfs/dbraw/zinc/78/29/24/569782924.db2.gz ULOSAJYWBLDRGH-GHNGSUTGSA-N -1 1 499.317 5.417 50 30 JKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294479 569790144 /nfs/dbraw/zinc/79/01/44/569790144.db2.gz XNYJHIDKSMVMRK-AYWGPLOBSA-N -1 1 486.549 5.643 50 30 JKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101314076 569792535 /nfs/dbraw/zinc/79/25/35/569792535.db2.gz GFVPDXRRTFQCOZ-HOGKFDNTSA-N -1 1 488.590 5.857 50 30 JKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000101502787 569800928 /nfs/dbraw/zinc/80/09/28/569800928.db2.gz KBAODNWCXLTRIT-HOGKFDNTSA-N -1 1 464.880 5.064 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102587842 569814436 /nfs/dbraw/zinc/81/44/36/569814436.db2.gz DGASSVXFEIXGLT-ZHHPLPSFSA-N -1 1 463.917 5.374 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccco2)cc1C ZINC000102733345 569818425 /nfs/dbraw/zinc/81/84/25/569818425.db2.gz UNWBDBVTULTHIQ-JBCNATCCSA-N -1 1 460.511 5.141 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102856697 569824547 /nfs/dbraw/zinc/82/45/47/569824547.db2.gz COQMXGVIRIPUEO-JBCNATCCSA-N -1 1 494.931 5.724 50 30 JKEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)n1 ZINC000102856783 569824561 /nfs/dbraw/zinc/82/45/61/569824561.db2.gz ZTVUDJRBZSSKLH-NXLSWJSLSA-N -1 1 468.534 5.870 50 30 JKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102863085 569825135 /nfs/dbraw/zinc/82/51/35/569825135.db2.gz IMLXLLDUTGNMKX-MRJHHRETSA-N -1 1 478.932 6.024 50 30 JKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102863085 569825138 /nfs/dbraw/zinc/82/51/38/569825138.db2.gz IMLXLLDUTGNMKX-MRJHHRETSA-N -1 1 478.932 6.024 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)o1 ZINC000102864058 569825436 /nfs/dbraw/zinc/82/54/36/569825436.db2.gz STRWNWTVLUBCAL-OBVHCKHUSA-N -1 1 462.502 5.580 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2)cc1 ZINC000102864939 569825573 /nfs/dbraw/zinc/82/55/73/569825573.db2.gz ZBBYFGPIURDSAY-AYWGPLOBSA-N -1 1 486.549 5.330 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102874497 569826275 /nfs/dbraw/zinc/82/62/75/569826275.db2.gz CUVCVVCFKLUJOS-YDJIHCHBSA-N -1 1 480.929 5.568 50 30 JKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1 ZINC000102874823 569826292 /nfs/dbraw/zinc/82/62/92/569826292.db2.gz GDCAIZYMFFCROB-HOGKFDNTSA-N -1 1 474.513 5.379 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102875992 569826350 /nfs/dbraw/zinc/82/63/50/569826350.db2.gz CGLHVZYKRDVNFK-LFVOPCPISA-N -1 1 469.722 5.124 50 30 JKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102874819 569826404 /nfs/dbraw/zinc/82/64/04/569826404.db2.gz VGACVGYWAPSHJJ-MRJHHRETSA-N -1 1 492.578 5.310 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2F)cc1 ZINC000102875825 569826422 /nfs/dbraw/zinc/82/64/22/569826422.db2.gz AHRJZTIJUXRHIO-MRJHHRETSA-N -1 1 462.477 5.509 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000102875936 569826433 /nfs/dbraw/zinc/82/64/33/569826433.db2.gz OEQNGQMLMXORDZ-SELCWUDQSA-N -1 1 459.354 5.693 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102928813 569827283 /nfs/dbraw/zinc/82/72/83/569827283.db2.gz WOQNSQNRKHKGOS-HOGKFDNTSA-N -1 1 492.503 5.600 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C ZINC000102928862 569827383 /nfs/dbraw/zinc/82/73/83/569827383.db2.gz XIWSTYFKTWSQQX-WOOAAIBNSA-N -1 1 452.601 5.745 50 30 JKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102928790 569827393 /nfs/dbraw/zinc/82/73/93/569827393.db2.gz JVEONSGGJLWZER-MRJHHRETSA-N -1 1 490.581 5.378 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)o1 ZINC000102929103 569827636 /nfs/dbraw/zinc/82/76/36/569827636.db2.gz BJYAUVNKQBGQKY-PGVNHDJNSA-N -1 1 462.502 5.580 50 30 JKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102929619 569827773 /nfs/dbraw/zinc/82/77/73/569827773.db2.gz HSHONLZRKKYGCU-MOBKVPTQSA-N -1 1 474.538 5.648 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102929619 569827775 /nfs/dbraw/zinc/82/77/75/569827775.db2.gz HSHONLZRKKYGCU-MOBKVPTQSA-N -1 1 474.538 5.648 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(F)c2)cc1 ZINC000102929476 569827876 /nfs/dbraw/zinc/82/78/76/569827876.db2.gz KMOBNJWKWPWJDE-MOBKVPTQSA-N -1 1 474.513 5.379 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102931104 569828154 /nfs/dbraw/zinc/82/81/54/569828154.db2.gz KRKWJQDEYYLQRX-WOOAAIBNSA-N -1 1 466.971 5.946 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102931323 569828346 /nfs/dbraw/zinc/82/83/46/569828346.db2.gz LTGQCZWZQGBYNV-LCPUNJGISA-N -1 1 486.377 5.379 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)o1 ZINC000102932091 569828589 /nfs/dbraw/zinc/82/85/89/569828589.db2.gz DILJTONDDXDICD-PGVNHDJNSA-N -1 1 489.509 5.349 50 30 JKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102931909 569828659 /nfs/dbraw/zinc/82/86/59/569828659.db2.gz XFNUQMOXKWBZJW-YDJIHCHBSA-N -1 1 468.962 5.438 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102931909 569828660 /nfs/dbraw/zinc/82/86/60/569828660.db2.gz XFNUQMOXKWBZJW-YDJIHCHBSA-N -1 1 468.962 5.438 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102932427 569828716 /nfs/dbraw/zinc/82/87/16/569828716.db2.gz YQUIKXYQJMHPDQ-ZHHPLPSFSA-N -1 1 486.549 5.330 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3F)sc2c1 ZINC000102932137 569828745 /nfs/dbraw/zinc/82/87/45/569828745.db2.gz ZMBBTEGIWOTXEM-JBCNATCCSA-N -1 1 478.501 5.362 50 30 JKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102932216 569828869 /nfs/dbraw/zinc/82/88/69/569828869.db2.gz BWBQAFRJLJEDDB-AYWGPLOBSA-N -1 1 486.549 5.248 50 30 JKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102932320 569828887 /nfs/dbraw/zinc/82/88/87/569828887.db2.gz CZOOJDOJOVVRIE-IAMBOQNYSA-N -1 1 474.538 5.531 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102932320 569828888 /nfs/dbraw/zinc/82/88/88/569828888.db2.gz CZOOJDOJOVVRIE-IAMBOQNYSA-N -1 1 474.538 5.531 50 30 JKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102933076 569829021 /nfs/dbraw/zinc/82/90/21/569829021.db2.gz MQWGOHHSOUUFPB-MOBKVPTQSA-N -1 1 474.513 5.379 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000103858555 569838460 /nfs/dbraw/zinc/83/84/60/569838460.db2.gz PBJXXBAUGAWQGQ-HOGKFDNTSA-N -1 1 461.901 5.143 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000103858555 569838462 /nfs/dbraw/zinc/83/84/62/569838462.db2.gz PBJXXBAUGAWQGQ-HOGKFDNTSA-N -1 1 461.901 5.143 50 30 JKEAMM CCN(Cc1ccccc1)c1ccc([C@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CCC3)cc1 ZINC000044973473 569839806 /nfs/dbraw/zinc/83/98/06/569839806.db2.gz RWHVPEYCOFENNS-JOCHJYFZSA-N -1 1 472.614 5.083 50 30 JKEAMM CCN(Cc1ccccc1)c1ccc([C@@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CCC3)cc1 ZINC000044973468 569839845 /nfs/dbraw/zinc/83/98/45/569839845.db2.gz RWHVPEYCOFENNS-QFIPXVFZSA-N -1 1 472.614 5.083 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000104085951 569840667 /nfs/dbraw/zinc/84/06/67/569840667.db2.gz OBFYFAJXLAJRDX-JBCNATCCSA-N -1 1 464.315 5.084 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000104105136 569841105 /nfs/dbraw/zinc/84/11/05/569841105.db2.gz LFYLSCXJLMIIKK-JBCNATCCSA-N -1 1 482.414 5.548 50 30 JKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000104126053 569841705 /nfs/dbraw/zinc/84/17/05/569841705.db2.gz DJGAHJPPCPWUMN-MOBKVPTQSA-N -1 1 476.872 5.077 50 30 JKEAMM COc1cccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc([O-])c(Cl)c3)CC(=O)O4)C2=O)c1OC ZINC000217971875 569882288 /nfs/dbraw/zinc/88/22/88/569882288.db2.gz RZLDZUXPJKURBQ-SJJOQSKNSA-N -1 1 478.884 5.120 50 30 biogenic JKEAMM CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000226865672 570039099 /nfs/dbraw/zinc/03/90/99/570039099.db2.gz RLCGFGLESMXZQU-ZGIBFIJWSA-N -1 1 498.623 6.477 50 30 JKEAMM CC(C)(C)c1ccc(-c2nc3cc(N=Cc4c([O-])ccc5cc([N+](=O)[O-])ccc54)ccc3o2)cc1 ZINC000252629559 570089163 /nfs/dbraw/zinc/08/91/63/570089163.db2.gz UJCSCUYIBAPXTG-UHFFFAOYSA-N -1 1 465.509 7.310 50 30 JKEAMM Cc1ccc(C)c(N=C2S/C(=C\c3ccc([O-])c(Cl)c3)C(=O)N2c2cc(C)ccc2C)c1 ZINC000252635006 570089768 /nfs/dbraw/zinc/08/97/68/570089768.db2.gz WTCXEHTVAVCRBV-HSWHWTNLSA-N -1 1 463.002 7.088 50 30 JKEAMM CCOC(=O)c1c(N=Cc2cc(Cc3ccccc3)cc(Br)c2[O-])sc2c1CCCC2 ZINC000252642492 570090598 /nfs/dbraw/zinc/09/05/98/570090598.db2.gz ZMFBMILNIMSNTI-UHFFFAOYSA-N -1 1 498.442 6.613 50 30 JKEAMM COc1cc(Br)cc(C=Nc2ccc(-c3nc4cc(C)ccc4o3)c([O-])c2)c1O ZINC000252644128 570090787 /nfs/dbraw/zinc/09/07/87/570090787.db2.gz ZZRHBNAOQBUWSL-UHFFFAOYSA-N -1 1 453.292 5.736 50 30 JKEAMM Cc1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)c1 ZINC000003089520 194224826 /nfs/dbraw/zinc/22/48/26/194224826.db2.gz GYVVMMGFPIDBFT-MZJWZYIUSA-N -1 1 457.327 7.175 50 30 JKEAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)cc1 ZINC000012605543 195051046 /nfs/dbraw/zinc/05/10/46/195051046.db2.gz WIFQTKXBXJXZSU-UHFFFAOYSA-N -1 1 483.549 5.287 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000102368565 130121604 /nfs/dbraw/zinc/12/16/04/130121604.db2.gz KBBXLVCPZGZLMV-MRJHHRETSA-N -1 1 487.339 5.703 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000102368954 130123219 /nfs/dbraw/zinc/12/32/19/130123219.db2.gz NHKPSECZDOLUFN-MRJHHRETSA-N -1 1 497.345 5.159 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OC(C)C)cc2)no1 ZINC000102374160 130124188 /nfs/dbraw/zinc/12/41/88/130124188.db2.gz ROQMRNFDMAPCIA-JBCNATCCSA-N -1 1 452.894 5.050 50 30 JKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000102430567 130129877 /nfs/dbraw/zinc/12/98/77/130129877.db2.gz YHEUAYNCMSURMU-NHFXJNLRSA-N -1 1 475.551 5.327 50 30 JKEAMM COc1cccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102482648 130136027 /nfs/dbraw/zinc/13/60/27/130136027.db2.gz XITLMJWMCNLEFB-PGVNHDJNSA-N -1 1 490.537 5.150 50 30 JKEAMM COc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102482648 130136030 /nfs/dbraw/zinc/13/60/30/130136030.db2.gz XITLMJWMCNLEFB-PGVNHDJNSA-N -1 1 490.537 5.150 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)cc1 ZINC000102493335 130147737 /nfs/dbraw/zinc/14/77/37/130147737.db2.gz GNERAGMQUSLPQX-HOGKFDNTSA-N -1 1 458.514 5.679 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102494465 130148789 /nfs/dbraw/zinc/14/87/89/130148789.db2.gz LARJTALPPCATPT-SBXHHDGASA-N -1 1 486.568 6.494 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102499102 130153206 /nfs/dbraw/zinc/15/32/06/130153206.db2.gz REOLICKNHBERAG-JBCNATCCSA-N -1 1 489.484 5.278 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102500834 130154917 /nfs/dbraw/zinc/15/49/17/130154917.db2.gz TVPQEQVUNCXYMG-MOBKVPTQSA-N -1 1 474.969 6.193 50 30 JKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102502805 130156983 /nfs/dbraw/zinc/15/69/83/130156983.db2.gz DRELZSJKGJNHQU-COUQNMRISA-N -1 1 486.593 6.430 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000102506681 130160829 /nfs/dbraw/zinc/16/08/29/130160829.db2.gz UADPDGNCEKLQJF-LFVOPCPISA-N -1 1 489.380 5.702 50 30 JKEAMM COc1ccccc1[C@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102507174 130161805 /nfs/dbraw/zinc/16/18/05/130161805.db2.gz PNPPZHVDMJKQRP-MRJHHRETSA-N -1 1 460.486 5.070 50 30 JKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102507174 130161808 /nfs/dbraw/zinc/16/18/08/130161808.db2.gz PNPPZHVDMJKQRP-MRJHHRETSA-N -1 1 460.486 5.070 50 30 JKEAMM 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Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102933147 130414726 /nfs/dbraw/zinc/41/47/26/130414726.db2.gz KKIWWQQWUPCUDB-MRJHHRETSA-N -1 1 471.494 5.139 50 30 JKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009014872 518343437 /nfs/dbraw/zinc/34/34/37/518343437.db2.gz HJNQGBJJINYZNF-JOCHJYFZSA-N -1 1 476.872 5.234 50 30 JKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000009461226 519041254 /nfs/dbraw/zinc/04/12/54/519041254.db2.gz BFGUVXDKYAOOGL-OAQYLSRUSA-N -1 1 495.329 5.093 50 30 JKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009046350 519043535 /nfs/dbraw/zinc/04/35/35/519043535.db2.gz CSCHHWJIYKFXSC-JOCHJYFZSA-N -1 1 488.590 6.014 50 30 JKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000009373756 519057731 /nfs/dbraw/zinc/05/77/31/519057731.db2.gz UWBJXZZQBFUSGB-OAQYLSRUSA-N -1 1 495.329 5.093 50 30 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/nfs/dbraw/zinc/20/81/26/556208126.db2.gz WTEJLGZGCQGBRC-OAQYLSRUSA-N -1 1 457.599 5.984 50 30 JKEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000017041780 556208724 /nfs/dbraw/zinc/20/87/24/556208724.db2.gz YUXGWEMJKWYGDD-FQEVSTJZSA-N -1 1 463.628 5.633 50 30 JKEAMM CO[C@]1(/C(C)=N/[O-])[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000017044361 556210382 /nfs/dbraw/zinc/21/03/82/556210382.db2.gz GXDRQKRSEWVQDF-PBDSMEISSA-N -1 1 481.633 5.381 50 30 JKEAMM O=C1CCCC2=C1[C@@H](c1cccc(F)c1)c1c(=O)[n-]c(SCc3ccc([N+](=O)[O-])cc3)nc1N2 ZINC000017155067 556228074 /nfs/dbraw/zinc/22/80/74/556228074.db2.gz BEKPITIPXQVYGZ-LJQANCHMSA-N -1 1 478.505 5.086 50 30 JKEAMM C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017173020 556231716 /nfs/dbraw/zinc/23/17/16/556231716.db2.gz GLPXUQPDTISTAI-QHCPKHFHSA-N -1 1 499.636 5.828 50 30 JKEAMM O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000017177770 556232432 /nfs/dbraw/zinc/23/24/32/556232432.db2.gz VVGVWXWDXHJPKQ-IBGZPJMESA-N -1 1 478.505 5.086 50 30 JKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000017209105 556241436 /nfs/dbraw/zinc/24/14/36/556241436.db2.gz LLVBXPJEPKZCAL-XMMPIXPASA-N -1 1 498.560 5.519 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000017242369 556243135 /nfs/dbraw/zinc/24/31/35/556243135.db2.gz LFXLHFJLMZDXSZ-FQEVSTJZSA-N -1 1 488.569 5.583 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1ccccc1 ZINC000017242517 556243476 /nfs/dbraw/zinc/24/34/76/556243476.db2.gz MXBHHLFAKAIHRM-HXUWFJFHSA-N -1 1 461.562 5.814 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1cccs1 ZINC000017242536 556243571 /nfs/dbraw/zinc/24/35/71/556243571.db2.gz ATGQOPJNGOQVJA-LJQANCHMSA-N -1 1 467.591 5.463 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000027024039 556271949 /nfs/dbraw/zinc/27/19/49/556271949.db2.gz OTBRCKFOURTDJC-QHCPKHFHSA-N -1 1 475.566 5.831 50 30 JKEAMM COc1cc([C@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000018055229 556280692 /nfs/dbraw/zinc/28/06/92/556280692.db2.gz IIFUXBZLXYRZSW-OAQYLSRUSA-N -1 1 489.597 5.633 50 30 JKEAMM CC(C)(C)c1ccc(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])c1 ZINC000027500990 556281855 /nfs/dbraw/zinc/28/18/55/556281855.db2.gz WBXVVVBUQNXCAU-MZJWZYIUSA-N -1 1 472.810 7.153 50 30 JKEAMM C=CCc1c(C)nc(Sc2c(=O)[nH]c3ccc(F)cc3c2-c2ccc(Cl)cc2)[n-]c1=O ZINC000018086327 556285805 /nfs/dbraw/zinc/28/58/05/556285805.db2.gz XGTMKAUTLAOBRO-UHFFFAOYSA-N -1 1 453.926 5.671 50 30 JKEAMM Cc1[n-]c(=O)c(C#N)c(C)c1CSc1nnc(Cc2cccc3ccccc32)n1-c1ccccc1 ZINC000030836224 556375865 /nfs/dbraw/zinc/37/58/65/556375865.db2.gz QLTKGCIPLCRBPB-UHFFFAOYSA-N -1 1 477.593 5.480 50 30 JKEAMM O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000032655151 556466224 /nfs/dbraw/zinc/46/62/24/556466224.db2.gz RMPMUWXMXLJUDN-IBGZPJMESA-N -1 1 467.953 5.419 50 30 JKEAMM CCCCCCCCCCCCCCCCS(=O)(=O)c1nnc(-c2ccccc2Cl)[n-]1 ZINC000008443710 569590547 /nfs/dbraw/zinc/59/05/47/569590547.db2.gz XAOAHPGTFGFWHY-UHFFFAOYSA-N -1 1 468.107 7.380 50 30 JKEAMM CCCCCCCCCCCCCCCCS(=O)(=O)c1n[n-]c(-c2ccccc2Cl)n1 ZINC000008443710 569590548 /nfs/dbraw/zinc/59/05/48/569590548.db2.gz XAOAHPGTFGFWHY-UHFFFAOYSA-N -1 1 468.107 7.380 50 30 JKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000008468783 569591810 /nfs/dbraw/zinc/59/18/10/569591810.db2.gz RYMRSKFZRSDGCP-QHCPKHFHSA-N -1 1 480.517 5.245 50 30 JKEAMM O=C1C(=O)N(c2nc3cc(Br)ccc3s2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000008715720 569596353 /nfs/dbraw/zinc/59/63/53/569596353.db2.gz SSVKWPNRMGJHAB-FQEVSTJZSA-N -1 1 491.366 5.842 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3cc(Br)ccc3s2)[C@H]1c1ccccc1)c1ccccc1 ZINC000008715720 569596354 /nfs/dbraw/zinc/59/63/54/569596354.db2.gz SSVKWPNRMGJHAB-FQEVSTJZSA-N -1 1 491.366 5.842 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Cl)c(C)c2)c(OC)c1 ZINC000008715750 569596387 /nfs/dbraw/zinc/59/63/87/569596387.db2.gz NFNMOGXDIJEOQE-HSZRJFAPSA-N -1 1 463.917 5.449 50 30 JKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Cl)c(C)c2)c1 ZINC000008715760 569596408 /nfs/dbraw/zinc/59/64/08/569596408.db2.gz GARCEIWWOYNPAD-HSZRJFAPSA-N -1 1 463.917 5.449 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008737867 569602067 /nfs/dbraw/zinc/60/20/67/569602067.db2.gz SMZYYGDHESHPSJ-HSZRJFAPSA-N -1 1 486.549 5.405 50 30 JKEAMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008000 569615831 /nfs/dbraw/zinc/61/58/31/569615831.db2.gz QRABDNSMTZDHGE-UHFFFAOYSA-N -1 1 467.572 5.359 50 30 JKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3sc(-c4ccccc4)nc3C)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000096193765 569737262 /nfs/dbraw/zinc/73/72/62/569737262.db2.gz SFNKDUDYEHSRFG-FQEVSTJZSA-N -1 1 491.956 5.851 50 30 JKEAMM CCCCCCCCN1C(=O)N(c2ccc(C)cc2)[C@@H](N([O-])C(=O)Nc2ccc(C)cc2)C1(C)C ZINC000097951540 569747410 /nfs/dbraw/zinc/74/74/10/569747410.db2.gz TWTSTJKYKYGKGJ-VWLOTQADSA-N -1 1 480.653 6.934 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100340498 569757704 /nfs/dbraw/zinc/75/77/04/569757704.db2.gz ASCWGEMODSKYOK-MRJHHRETSA-N -1 1 498.413 5.249 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000100439651 569761283 /nfs/dbraw/zinc/76/12/83/569761283.db2.gz PFMZVAXTSVQSHC-YDJIHCHBSA-N -1 1 486.377 5.379 50 30 JKEAMM O=[N+]([O-])c1cccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Br)ccc2[O-])c1 ZINC000100676115 569766646 /nfs/dbraw/zinc/76/66/46/569766646.db2.gz WGJPFOHQWNTGJG-FBCBFZTJSA-N -1 1 490.317 5.559 50 30 JKEAMM CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc21 ZINC000100822980 569771625 /nfs/dbraw/zinc/77/16/25/569771625.db2.gz XGHRIMKMYBCJPS-UHFFFAOYSA-N -1 1 488.562 5.886 50 30 JKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1ccc(O)cc1 ZINC000100888115 569774350 /nfs/dbraw/zinc/77/43/50/569774350.db2.gz VSZHZNCVBMKCOC-HXUWFJFHSA-N -1 1 477.561 5.108 50 30 JKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000101069908 569781096 /nfs/dbraw/zinc/78/10/96/569781096.db2.gz MBRYCFZYXWCYQI-JBCNATCCSA-N -1 1 482.761 6.037 50 30 JKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000101069908 569781097 /nfs/dbraw/zinc/78/10/97/569781097.db2.gz MBRYCFZYXWCYQI-JBCNATCCSA-N -1 1 482.761 6.037 50 30 JKEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069774 569781118 /nfs/dbraw/zinc/78/11/18/569781118.db2.gz SLLOSMSSMVYEGL-MRJHHRETSA-N -1 1 466.306 5.523 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069774 569781119 /nfs/dbraw/zinc/78/11/19/569781119.db2.gz SLLOSMSSMVYEGL-MRJHHRETSA-N -1 1 466.306 5.523 50 30 JKEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc(Br)c2)sc1C ZINC000101100241 569782730 /nfs/dbraw/zinc/78/27/30/569782730.db2.gz YKUWMQXFESZLEK-SELCWUDQSA-N -1 1 469.360 5.149 50 30 JKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc(Br)c2)sc1C ZINC000101100241 569782731 /nfs/dbraw/zinc/78/27/31/569782731.db2.gz YKUWMQXFESZLEK-SELCWUDQSA-N -1 1 469.360 5.149 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000101287083 569789352 /nfs/dbraw/zinc/78/93/52/569789352.db2.gz ZBQLZEOHKRJZBH-MRJHHRETSA-N -1 1 485.323 5.481 50 30 JKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101287783 569789715 /nfs/dbraw/zinc/78/97/15/569789715.db2.gz ACZFGGOTAICRIL-HOGKFDNTSA-N -1 1 491.341 5.035 50 30 JKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101287783 569789716 /nfs/dbraw/zinc/78/97/16/569789716.db2.gz ACZFGGOTAICRIL-HOGKFDNTSA-N -1 1 491.341 5.035 50 30 JKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000101294389 569790125 /nfs/dbraw/zinc/79/01/25/569790125.db2.gz VRJGKBBZTNVHSS-IUKMQXEJSA-N -1 1 466.493 5.327 50 30 JKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101503815 569801057 /nfs/dbraw/zinc/80/10/57/569801057.db2.gz LPRWLSDBUZYOJF-MOBKVPTQSA-N -1 1 491.341 5.034 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000102857222 569824615 /nfs/dbraw/zinc/82/46/15/569824615.db2.gz JSUFXKRREUKEIE-JBCNATCCSA-N -1 1 460.942 5.884 50 30 JKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102856846 569824624 /nfs/dbraw/zinc/82/46/24/569824624.db2.gz WXZDJZQHYBJAPZ-MOBKVPTQSA-N -1 1 474.513 5.460 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102856846 569824625 /nfs/dbraw/zinc/82/46/25/569824625.db2.gz WXZDJZQHYBJAPZ-MOBKVPTQSA-N -1 1 474.513 5.460 50 30 JKEAMM O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000102862724 569825201 /nfs/dbraw/zinc/82/52/01/569825201.db2.gz HYJRTTKGYWMTRM-NHFXJNLRSA-N -1 1 464.905 5.715 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000102862724 569825202 /nfs/dbraw/zinc/82/52/02/569825202.db2.gz HYJRTTKGYWMTRM-NHFXJNLRSA-N -1 1 464.905 5.715 50 30 JKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000102862707 569825251 /nfs/dbraw/zinc/82/52/51/569825251.db2.gz QFBUHSNGSWUJBC-COUQNMRISA-N -1 1 488.540 5.687 50 30 JKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102863534 569825400 /nfs/dbraw/zinc/82/54/00/569825400.db2.gz GUSNSQBUGXWMDE-NHFXJNLRSA-N -1 1 468.962 5.438 50 30 JKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102863534 569825401 /nfs/dbraw/zinc/82/54/01/569825401.db2.gz GUSNSQBUGXWMDE-NHFXJNLRSA-N -1 1 468.962 5.438 50 30 JKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102863532 569825444 /nfs/dbraw/zinc/82/54/44/569825444.db2.gz GUSNSQBUGXWMDE-YDJIHCHBSA-N -1 1 468.962 5.438 50 30 JKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102863532 569825445 /nfs/dbraw/zinc/82/54/45/569825445.db2.gz GUSNSQBUGXWMDE-YDJIHCHBSA-N -1 1 468.962 5.438 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102866402 569825718 /nfs/dbraw/zinc/82/57/18/569825718.db2.gz SQYBUNUHMAZTQM-WOOAAIBNSA-N -1 1 450.903 5.477 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102874565 569826136 /nfs/dbraw/zinc/82/61/36/569826136.db2.gz VKUXASXOVZAIPI-MOBKVPTQSA-N -1 1 490.968 5.975 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102875900 569826382 /nfs/dbraw/zinc/82/63/82/569826382.db2.gz BQZACEOXTHRFNI-YDJIHCHBSA-N -1 1 467.930 5.205 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000102928387 569827100 /nfs/dbraw/zinc/82/71/00/569827100.db2.gz KRIWSMLYXDVXLZ-YDJIHCHBSA-N -1 1 499.748 5.132 50 30 JKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102928242 569827181 /nfs/dbraw/zinc/82/71/81/569827181.db2.gz PHVFHRDYEXTVTE-NHFXJNLRSA-N -1 1 480.542 5.522 50 30 JKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3F)sc2c1 ZINC000102929056 569827641 /nfs/dbraw/zinc/82/76/41/569827641.db2.gz HBYFLEHSMJXVTC-LFVOPCPISA-N -1 1 450.516 5.432 50 30 JKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000102929608 569827760 /nfs/dbraw/zinc/82/77/60/569827760.db2.gz GBMSNZKQEOGGNL-OBVHCKHUSA-N -1 1 478.957 6.094 50 30 JKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102930649 569828014 /nfs/dbraw/zinc/82/80/14/569828014.db2.gz PTEYJNTZDBELLY-MOBKVPTQSA-N -1 1 492.503 5.600 50 30 JKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000102930776 569828178 /nfs/dbraw/zinc/82/81/78/569828178.db2.gz DXYHZMKXNWWEBT-NHFXJNLRSA-N -1 1 466.440 5.340 50 30 JKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102931584 569828407 /nfs/dbraw/zinc/82/84/07/569828407.db2.gz GBUYBVSYEODCHW-SBXHHDGASA-N -1 1 494.519 5.182 50 30 JKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102932144 569828865 /nfs/dbraw/zinc/82/88/65/569828865.db2.gz YCURDDZOYMNJEO-ZHHPLPSFSA-N -1 1 486.549 5.248 50 30 JKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102933079 569829070 /nfs/dbraw/zinc/82/90/70/569829070.db2.gz MQWGOHHSOUUFPB-HOGKFDNTSA-N -1 1 474.513 5.379 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000103858714 569838400 /nfs/dbraw/zinc/83/84/00/569838400.db2.gz FNHCSPHDHIVLEO-MOBKVPTQSA-N -1 1 461.901 5.143 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000103858714 569838401 /nfs/dbraw/zinc/83/84/01/569838401.db2.gz FNHCSPHDHIVLEO-MOBKVPTQSA-N -1 1 461.901 5.143 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000103858558 569838547 /nfs/dbraw/zinc/83/85/47/569838547.db2.gz PBJXXBAUGAWQGQ-MOBKVPTQSA-N -1 1 461.901 5.143 50 30 JKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000103858558 569838548 /nfs/dbraw/zinc/83/85/48/569838548.db2.gz PBJXXBAUGAWQGQ-MOBKVPTQSA-N -1 1 461.901 5.143 50 30 JKEAMM [O-]c1c(Br)cc(Cc2ccccc2)cc1C=Nc1ccc2c(c1)oc1ccccc12 ZINC000252427687 570080207 /nfs/dbraw/zinc/08/02/07/570080207.db2.gz BMUJYQGZMQGEBH-UHFFFAOYSA-N -1 1 456.339 7.396 50 30 JKEAMM CCOc1cc(Br)cc(C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)c1O ZINC000252628864 570088891 /nfs/dbraw/zinc/08/88/91/570088891.db2.gz SZNPFVOYGORCIA-UHFFFAOYSA-N -1 1 487.737 6.471 50 30 JKEAMM CN(C)c1ccc(C=NN2C(=S)SC(C)(C)[C@@H]2N([O-])C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000252680079 570094421 /nfs/dbraw/zinc/09/44/21/570094421.db2.gz VLBYFCRUNOPIOJ-SFHVURJKSA-N -1 1 478.043 5.102 50 30 JKEAMM Cn1cc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc([O-])c(Cl)c3)CC(=O)O4)C2=O)c2ccccc21 ZINC000253415091 570098614 /nfs/dbraw/zinc/09/86/14/570098614.db2.gz ZPGLHFFJMRXQDW-JHHOAVTDSA-N -1 1 471.896 5.595 50 30 biogenic JKEAMM