smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(SCC(=O)NCc2cc(C(=O)c3ccccc3)ccc2[O-])nnc1-c1ccc(OC)cc1 ZINC000000643358 551507030 /nfs/dbraw/zinc/50/70/30/551507030.db2.gz DRYKDOLDKHIVLQ-UHFFFAOYSA-N -1 1 514.607 4.485 50 30 KIEAMM Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=NC(C(=O)c3ccccc3)=C([O-])c3ccccc3)cc2)n1 ZINC000000672257 551519523 /nfs/dbraw/zinc/51/95/23/551519523.db2.gz GUBCDYYHCODVLQ-UHFFFAOYSA-N -1 1 513.579 4.428 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccnc2)nc1C ZINC000000703182 551530929 /nfs/dbraw/zinc/53/09/29/551530929.db2.gz LYXXDKABFSOECZ-XCLFUZPHSA-N -1 1 505.552 4.130 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccnc2)nc1C ZINC000000703183 551530973 /nfs/dbraw/zinc/53/09/73/551530973.db2.gz LYXXDKABFSOECZ-ZUOKHONESA-N -1 1 505.552 4.130 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccnc2)nc1C ZINC000000703184 551530995 /nfs/dbraw/zinc/53/09/95/551530995.db2.gz LYXXDKABFSOECZ-RBZFPXEDSA-N -1 1 505.552 4.130 50 30 KIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000000934529 551586687 /nfs/dbraw/zinc/58/66/87/551586687.db2.gz MYFAFQFNYRHNKW-NRFANRHFSA-N -1 1 527.396 4.188 50 30 KIEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000000934529 551586685 /nfs/dbraw/zinc/58/66/85/551586685.db2.gz MYFAFQFNYRHNKW-NRFANRHFSA-N -1 1 527.396 4.188 50 30 KIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000000934530 551586646 /nfs/dbraw/zinc/58/66/46/551586646.db2.gz MYFAFQFNYRHNKW-OAQYLSRUSA-N -1 1 527.396 4.188 50 30 KIEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000000934530 551586643 /nfs/dbraw/zinc/58/66/43/551586643.db2.gz MYFAFQFNYRHNKW-OAQYLSRUSA-N -1 1 527.396 4.188 50 30 KIEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc(OC)c1O ZINC000000959851 551590088 /nfs/dbraw/zinc/59/00/88/551590088.db2.gz UKPFJRCEGUZINB-HXUWFJFHSA-N -1 1 509.559 4.489 50 30 KIEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc(OC)c1O ZINC000000959852 551590059 /nfs/dbraw/zinc/59/00/59/551590059.db2.gz UKPFJRCEGUZINB-FQEVSTJZSA-N -1 1 509.559 4.489 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(F)cc2)nc1C ZINC000001105737 551609812 /nfs/dbraw/zinc/60/98/12/551609812.db2.gz QFMLCKBGRGCVGO-ODXCJYRJSA-N -1 1 508.527 4.484 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(F)cc2)nc1C ZINC000001105738 551609911 /nfs/dbraw/zinc/60/99/11/551609911.db2.gz QFMLCKBGRGCVGO-MPBGBICISA-N -1 1 508.527 4.484 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(F)cc2)nc1C ZINC000001105739 551609872 /nfs/dbraw/zinc/60/98/72/551609872.db2.gz QFMLCKBGRGCVGO-YUNKPMOVSA-N -1 1 508.527 4.484 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(F)cc2)nc1C ZINC000001105740 551609836 /nfs/dbraw/zinc/60/98/36/551609836.db2.gz QFMLCKBGRGCVGO-FKIZINRSSA-N -1 1 508.527 4.484 50 30 KIEAMM NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000001187078 551621080 /nfs/dbraw/zinc/62/10/80/551621080.db2.gz QZCSQRSSHPATDF-FQEVSTJZSA-N -1 1 531.359 4.019 50 30 KIEAMM NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2F)cc1 ZINC000001187079 551621122 /nfs/dbraw/zinc/62/11/22/551621122.db2.gz QZCSQRSSHPATDF-HXUWFJFHSA-N -1 1 531.359 4.019 50 30 KIEAMM C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000001233699 551629800 /nfs/dbraw/zinc/62/98/00/551629800.db2.gz GBLVEEWXIWRRIJ-XQNSMLJCSA-N -1 1 522.446 4.261 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000001739591 551691528 /nfs/dbraw/zinc/69/15/28/551691528.db2.gz JMZAJKRCXDXLFB-IBGZPJMESA-N -1 1 526.954 4.446 50 30 KIEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCC(=O)NCc4ccco4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793427 552485225 /nfs/dbraw/zinc/48/52/25/552485225.db2.gz MVMRIJLJRFXCCZ-NRFANRHFSA-N -1 1 504.612 4.280 50 30 KIEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCC(=O)NCc4ccco4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793434 552485256 /nfs/dbraw/zinc/48/52/56/552485256.db2.gz MVMRIJLJRFXCCZ-OAQYLSRUSA-N -1 1 504.612 4.280 50 30 KIEAMM CC1(C)CC(=O)C2=C(C1)N(CC1OCCO1)c1nc(SCC3OCCO3)[n-]c(=O)c1[C@H]2c1ccc(Cl)cc1 ZINC000004793529 552485308 /nfs/dbraw/zinc/48/53/08/552485308.db2.gz NRBRGOSCALZSCO-NRFANRHFSA-N -1 1 560.072 4.269 50 30 KIEAMM CC1(C)CC(=O)C2=C(C1)N(CC1OCCO1)c1nc(SCC3OCCO3)[n-]c(=O)c1[C@@H]2c1ccc(Cl)cc1 ZINC000004793533 552485316 /nfs/dbraw/zinc/48/53/16/552485316.db2.gz NRBRGOSCALZSCO-OAQYLSRUSA-N -1 1 560.072 4.269 50 30 KIEAMM COc1ccc([N-]S(=O)(=O)c2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2)nn1 ZINC000005345204 552497928 /nfs/dbraw/zinc/49/79/28/552497928.db2.gz CRKZOMMPDOLCMT-UFFVCSGVSA-N -1 1 542.209 4.267 50 30 KIEAMM CCOc1ccc(NC(=NC(=O)c2ccccc2)Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000005921732 552512651 /nfs/dbraw/zinc/51/26/51/552512651.db2.gz JKNVJAVGWVOHMH-UHFFFAOYSA-N -1 1 567.635 4.157 50 30 KIEAMM CCN(CC)c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000005940361 552513341 /nfs/dbraw/zinc/51/33/41/552513341.db2.gz GBBQNTIVUIGNJS-UHFFFAOYSA-N -1 1 508.600 4.231 50 30 aggregator KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000006016459 552519529 /nfs/dbraw/zinc/51/95/29/552519529.db2.gz PJBTZXCYSUQYKD-LJQANCHMSA-N -1 1 512.540 4.330 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000006016460 552519557 /nfs/dbraw/zinc/51/95/57/552519557.db2.gz PJBTZXCYSUQYKD-IBGZPJMESA-N -1 1 512.540 4.330 50 30 KIEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1ccc(F)cc1 ZINC000006023615 552520195 /nfs/dbraw/zinc/52/01/95/552520195.db2.gz KXYRCMYGDPTYPW-HXUWFJFHSA-N -1 1 555.521 4.399 50 30 KIEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H]1c1ccc(F)cc1 ZINC000006023616 552520280 /nfs/dbraw/zinc/52/02/80/552520280.db2.gz KXYRCMYGDPTYPW-FQEVSTJZSA-N -1 1 555.521 4.399 50 30 KIEAMM C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)sc2C1 ZINC000006093410 552534218 /nfs/dbraw/zinc/53/42/18/552534218.db2.gz FOQPSQFXLFIONH-MRXNPFEDSA-N -1 1 509.609 4.341 50 30 KIEAMM C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)sc2C1 ZINC000006093415 552534232 /nfs/dbraw/zinc/53/42/32/552534232.db2.gz FOQPSQFXLFIONH-INIZCTEOSA-N -1 1 509.609 4.341 50 30 KIEAMM COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c(Br)c(Br)c1[O-] ZINC000006136320 552541422 /nfs/dbraw/zinc/54/14/22/552541422.db2.gz GOKVIEZHBYANSY-WYMPLXKRSA-N -1 1 579.253 4.137 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccnc2)nc1C ZINC000008383546 552987131 /nfs/dbraw/zinc/98/71/31/552987131.db2.gz LYXXDKABFSOECZ-RNODOKPDSA-N -1 1 505.552 4.130 50 30 KIEAMM COc1ccc(Nc2nc(=NN=Cc3cc(Br)cc(Br)c3[O-])nc(N3CCOCC3)[nH]2)cc1 ZINC000008427568 553020106 /nfs/dbraw/zinc/02/01/06/553020106.db2.gz YBSRXRYUGNLCIY-WYMPLXKRSA-N -1 1 579.253 4.137 50 30 KIEAMM CN(C)c1nc(=NN=Cc2cc(Br)c([O-])c(Br)c2O)nc(Nc2ccc(F)cc2)[nH]1 ZINC000008435484 553030588 /nfs/dbraw/zinc/03/05/88/553030588.db2.gz IMPPWUONJDONQO-GZIVZEMBSA-N -1 1 541.179 4.203 50 30 KIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000008440107 553036423 /nfs/dbraw/zinc/03/64/23/553036423.db2.gz REOPLILEGPLBQD-OAQYLSRUSA-N -1 1 516.344 4.401 50 30 KIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000008440109 553036461 /nfs/dbraw/zinc/03/64/61/553036461.db2.gz REOPLILEGPLBQD-NRFANRHFSA-N -1 1 516.344 4.401 50 30 KIEAMM Cc1cc(C)n(-c2nc(=NN=Cc3cc(Br)cc([N+](=O)[O-])c3[O-])nc(Nc3ccccc3)[nH]2)n1 ZINC000008456363 553074439 /nfs/dbraw/zinc/07/44/39/553074439.db2.gz CZCVGKBZRBSLAL-FOKLQQMPSA-N -1 1 524.339 4.240 50 30 KIEAMM CCN(CC)c1ccc(NC(=O)COc2ccccc2C#N)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000008685505 553114614 /nfs/dbraw/zinc/11/46/14/553114614.db2.gz HAVBGMQWNLAZNW-UHFFFAOYSA-N -1 1 508.600 4.231 50 30 aggregator KIEAMM Cc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C ZINC000008685561 553114626 /nfs/dbraw/zinc/11/46/26/553114626.db2.gz SWHACQNPIPSMSC-UHFFFAOYSA-N -1 1 515.573 4.435 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000008817148 553152620 /nfs/dbraw/zinc/15/26/20/553152620.db2.gz FVTGAFULAIEJAF-HXUWFJFHSA-N -1 1 508.552 4.428 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000008817149 553152560 /nfs/dbraw/zinc/15/25/60/553152560.db2.gz FVTGAFULAIEJAF-FQEVSTJZSA-N -1 1 508.552 4.428 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000008817987 553153489 /nfs/dbraw/zinc/15/34/89/553153489.db2.gz XQEWPOWKBDTDIS-HXUWFJFHSA-N -1 1 508.552 4.428 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000008817988 553153344 /nfs/dbraw/zinc/15/33/44/553153344.db2.gz XQEWPOWKBDTDIS-FQEVSTJZSA-N -1 1 508.552 4.428 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000008837906 553164687 /nfs/dbraw/zinc/16/46/87/553164687.db2.gz RYLVWNSLKAPWQS-QGZVFWFLSA-N -1 1 500.554 4.100 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000008837907 553164713 /nfs/dbraw/zinc/16/47/13/553164713.db2.gz RYLVWNSLKAPWQS-KRWDZBQOSA-N -1 1 500.554 4.100 50 30 KIEAMM CN(C)c1nc(N=NCc2cc(Br)cc(Br)c2[O-])nc(Nc2ccc(F)cc2)n1 ZINC000008872131 553172231 /nfs/dbraw/zinc/17/22/31/553172231.db2.gz MCBOUTZWFHHXRC-LSFURLLWSA-N -1 1 525.180 4.497 50 30 KIEAMM COc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N([O-])C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000008951422 553193480 /nfs/dbraw/zinc/19/34/80/553193480.db2.gz IVQLOMRAJCMNGU-YPKZHZFPSA-N -1 1 505.578 4.308 50 30 KIEAMM COc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000008951423 553193743 /nfs/dbraw/zinc/19/37/43/553193743.db2.gz IVQLOMRAJCMNGU-FNLSEGDXSA-N -1 1 505.578 4.308 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000009008340 553198810 /nfs/dbraw/zinc/19/88/10/553198810.db2.gz JEHXPNARCGCKAQ-GOSISDBHSA-N -1 1 511.487 4.458 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000009008341 553198822 /nfs/dbraw/zinc/19/88/22/553198822.db2.gz JEHXPNARCGCKAQ-SFHVURJKSA-N -1 1 511.487 4.458 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000009008389 553198776 /nfs/dbraw/zinc/19/87/76/553198776.db2.gz GBCUGIICQWKFSH-FQEVSTJZSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000009008389 553198774 /nfs/dbraw/zinc/19/87/74/553198774.db2.gz GBCUGIICQWKFSH-FQEVSTJZSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000009008390 553198826 /nfs/dbraw/zinc/19/88/26/553198826.db2.gz GBCUGIICQWKFSH-HXUWFJFHSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000009008390 553198825 /nfs/dbraw/zinc/19/88/25/553198825.db2.gz GBCUGIICQWKFSH-HXUWFJFHSA-N -1 1 508.552 4.347 50 30 KIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009013654 553200176 /nfs/dbraw/zinc/20/01/76/553200176.db2.gz MRFJVKPIFHZUGA-QFIPXVFZSA-N -1 1 502.439 4.244 50 30 KIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009014815 553200184 /nfs/dbraw/zinc/20/01/84/553200184.db2.gz MRFJVKPIFHZUGA-JOCHJYFZSA-N -1 1 502.439 4.244 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000009043717 553203110 /nfs/dbraw/zinc/20/31/10/553203110.db2.gz YNTIJGGYMAIRNY-GOSISDBHSA-N -1 1 511.487 4.458 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000009043723 553203070 /nfs/dbraw/zinc/20/30/70/553203070.db2.gz YNTIJGGYMAIRNY-SFHVURJKSA-N -1 1 511.487 4.458 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009046439 553204028 /nfs/dbraw/zinc/20/40/28/553204028.db2.gz HUGBOKVFMHASMI-FQEVSTJZSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009046439 553204026 /nfs/dbraw/zinc/20/40/26/553204026.db2.gz HUGBOKVFMHASMI-FQEVSTJZSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009046440 553203967 /nfs/dbraw/zinc/20/39/67/553203967.db2.gz HUGBOKVFMHASMI-HXUWFJFHSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009046440 553203966 /nfs/dbraw/zinc/20/39/66/553203966.db2.gz HUGBOKVFMHASMI-HXUWFJFHSA-N -1 1 508.552 4.347 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)cc2)nc1C ZINC000009086218 553208335 /nfs/dbraw/zinc/20/83/35/553208335.db2.gz TWJMHFIVZWZDBP-HXUWFJFHSA-N -1 1 508.552 4.434 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C ZINC000009086219 553208309 /nfs/dbraw/zinc/20/83/09/553208309.db2.gz TWJMHFIVZWZDBP-FQEVSTJZSA-N -1 1 508.552 4.434 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009174563 553216124 /nfs/dbraw/zinc/21/61/24/553216124.db2.gz OOWXBHUXBJMKBE-RUZDIDTESA-N -1 1 502.523 4.454 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009174571 553216179 /nfs/dbraw/zinc/21/61/79/553216179.db2.gz OOWXBHUXBJMKBE-VWLOTQADSA-N -1 1 502.523 4.454 50 30 KIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2OC)cc1 ZINC000009177563 553216402 /nfs/dbraw/zinc/21/64/02/553216402.db2.gz QCVWIJOOMVSZMF-FQEVSTJZSA-N -1 1 508.552 4.428 50 30 KIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009177568 553216426 /nfs/dbraw/zinc/21/64/26/553216426.db2.gz QCVWIJOOMVSZMF-HXUWFJFHSA-N -1 1 508.552 4.428 50 30 KIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009177922 553216585 /nfs/dbraw/zinc/21/65/85/553216585.db2.gz CRVMECONHQQNDP-HXUWFJFHSA-N -1 1 508.552 4.428 50 30 KIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009177926 553216652 /nfs/dbraw/zinc/21/66/52/553216652.db2.gz CRVMECONHQQNDP-FQEVSTJZSA-N -1 1 508.552 4.428 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000009184886 553217045 /nfs/dbraw/zinc/21/70/45/553217045.db2.gz LKISUAQXWUKSET-MRXNPFEDSA-N -1 1 500.554 4.100 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000009184887 553216988 /nfs/dbraw/zinc/21/69/88/553216988.db2.gz LKISUAQXWUKSET-INIZCTEOSA-N -1 1 500.554 4.100 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2OC)nc1C ZINC000009186604 553217670 /nfs/dbraw/zinc/21/76/70/553217670.db2.gz BIRDERDXUARRDR-HXUWFJFHSA-N -1 1 508.552 4.428 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)nc1C ZINC000009186605 553217676 /nfs/dbraw/zinc/21/76/76/553217676.db2.gz BIRDERDXUARRDR-FQEVSTJZSA-N -1 1 508.552 4.428 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2cccnc2)nc1C ZINC000009192795 553218940 /nfs/dbraw/zinc/21/89/40/553218940.db2.gz FKGKYRTYKGBOQH-HXUWFJFHSA-N -1 1 507.568 4.451 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2cccnc2)nc1C ZINC000009192796 553218950 /nfs/dbraw/zinc/21/89/50/553218950.db2.gz FKGKYRTYKGBOQH-FQEVSTJZSA-N -1 1 507.568 4.451 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009210123 553220617 /nfs/dbraw/zinc/22/06/17/553220617.db2.gz WSSIAWSIDOPKDG-HXUWFJFHSA-N -1 1 506.536 4.291 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009210124 553220666 /nfs/dbraw/zinc/22/06/66/553220666.db2.gz WSSIAWSIDOPKDG-FQEVSTJZSA-N -1 1 506.536 4.291 50 30 KIEAMM C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)C(=O)[N-]C1=S ZINC000009264485 553229133 /nfs/dbraw/zinc/22/91/33/553229133.db2.gz BDDVKVKGERUBIK-FYJGNVAPSA-N -1 1 503.540 4.002 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000009271158 553230429 /nfs/dbraw/zinc/23/04/29/553230429.db2.gz ZQLUFKDDEMPNAT-FQEVSTJZSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000009271158 553230427 /nfs/dbraw/zinc/23/04/27/553230427.db2.gz ZQLUFKDDEMPNAT-FQEVSTJZSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000009271160 553230551 /nfs/dbraw/zinc/23/05/51/553230551.db2.gz ZQLUFKDDEMPNAT-HXUWFJFHSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000009271160 553230547 /nfs/dbraw/zinc/23/05/47/553230547.db2.gz ZQLUFKDDEMPNAT-HXUWFJFHSA-N -1 1 508.552 4.347 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)cc2)nc1C ZINC000009272559 553231779 /nfs/dbraw/zinc/23/17/79/553231779.db2.gz YUAKPOTVWUJFTR-HXUWFJFHSA-N -1 1 508.552 4.434 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000009272560 553231813 /nfs/dbraw/zinc/23/18/13/553231813.db2.gz YUAKPOTVWUJFTR-FQEVSTJZSA-N -1 1 508.552 4.434 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccnc2)cc1 ZINC000009281265 553233263 /nfs/dbraw/zinc/23/32/63/553233263.db2.gz DGIYMNVAMFBNCB-HXUWFJFHSA-N -1 1 505.552 4.371 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccnc2)cc1 ZINC000009281266 553233196 /nfs/dbraw/zinc/23/31/96/553233196.db2.gz DGIYMNVAMFBNCB-FQEVSTJZSA-N -1 1 505.552 4.371 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000009328213 553241767 /nfs/dbraw/zinc/24/17/67/553241767.db2.gz BHUUVKDNJOWCGP-OAQYLSRUSA-N -1 1 514.918 4.454 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000009328214 553241977 /nfs/dbraw/zinc/24/19/77/553241977.db2.gz BHUUVKDNJOWCGP-NRFANRHFSA-N -1 1 514.918 4.454 50 30 KIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1 ZINC000009333891 553242911 /nfs/dbraw/zinc/24/29/11/553242911.db2.gz AILVOOXWPPZMKU-NHFXJNLRSA-N -1 1 517.332 4.424 50 30 KIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009333968 553243107 /nfs/dbraw/zinc/24/31/07/553243107.db2.gz DMPFWIIULFOKKJ-FQEVSTJZSA-N -1 1 508.552 4.428 50 30 KIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009333969 553243169 /nfs/dbraw/zinc/24/31/69/553243169.db2.gz DMPFWIIULFOKKJ-HXUWFJFHSA-N -1 1 508.552 4.428 50 30 KIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1 ZINC000009339629 553243677 /nfs/dbraw/zinc/24/36/77/553243677.db2.gz AILVOOXWPPZMKU-YDJIHCHBSA-N -1 1 517.332 4.424 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000009360293 553248419 /nfs/dbraw/zinc/24/84/19/553248419.db2.gz YALIRJUANGTEOQ-FKIZINRSSA-N -1 1 508.527 4.484 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000009360296 553248406 /nfs/dbraw/zinc/24/84/06/553248406.db2.gz YALIRJUANGTEOQ-YUNKPMOVSA-N -1 1 508.527 4.484 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000009360297 553248306 /nfs/dbraw/zinc/24/83/06/553248306.db2.gz YALIRJUANGTEOQ-MPBGBICISA-N -1 1 508.527 4.484 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000009360299 553248367 /nfs/dbraw/zinc/24/83/67/553248367.db2.gz YALIRJUANGTEOQ-ODXCJYRJSA-N -1 1 508.527 4.484 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009360657 553248627 /nfs/dbraw/zinc/24/86/27/553248627.db2.gz HXTPPGUCTCHSNP-YEJXKQKISA-N -1 1 520.563 4.353 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009360657 553248625 /nfs/dbraw/zinc/24/86/25/553248625.db2.gz HXTPPGUCTCHSNP-YEJXKQKISA-N -1 1 520.563 4.353 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009360662 553248601 /nfs/dbraw/zinc/24/86/01/553248601.db2.gz HXTPPGUCTCHSNP-ZSEKCTLFSA-N -1 1 520.563 4.353 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009360662 553248600 /nfs/dbraw/zinc/24/86/00/553248600.db2.gz HXTPPGUCTCHSNP-ZSEKCTLFSA-N -1 1 520.563 4.353 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009360663 553248646 /nfs/dbraw/zinc/24/86/46/553248646.db2.gz HXTPPGUCTCHSNP-LRTDBIEQSA-N -1 1 520.563 4.353 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009360663 553248644 /nfs/dbraw/zinc/24/86/44/553248644.db2.gz HXTPPGUCTCHSNP-LRTDBIEQSA-N -1 1 520.563 4.353 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009360666 553248642 /nfs/dbraw/zinc/24/86/42/553248642.db2.gz HXTPPGUCTCHSNP-ASSNKEHSSA-N -1 1 520.563 4.353 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009360666 553248641 /nfs/dbraw/zinc/24/86/41/553248641.db2.gz HXTPPGUCTCHSNP-ASSNKEHSSA-N -1 1 520.563 4.353 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000009370700 553250084 /nfs/dbraw/zinc/25/00/84/553250084.db2.gz WAYMVIVHIGAWPV-HXUWFJFHSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000009370700 553250082 /nfs/dbraw/zinc/25/00/82/553250082.db2.gz WAYMVIVHIGAWPV-HXUWFJFHSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000009370702 553250184 /nfs/dbraw/zinc/25/01/84/553250184.db2.gz WAYMVIVHIGAWPV-FQEVSTJZSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000009370702 553250183 /nfs/dbraw/zinc/25/01/83/553250183.db2.gz WAYMVIVHIGAWPV-FQEVSTJZSA-N -1 1 508.552 4.347 50 30 KIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000009375044 553251063 /nfs/dbraw/zinc/25/10/63/553251063.db2.gz DWKMMYWPFPATSH-OAQYLSRUSA-N -1 1 506.536 4.217 50 30 KIEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000009375048 553251218 /nfs/dbraw/zinc/25/12/18/553251218.db2.gz DWKMMYWPFPATSH-NRFANRHFSA-N -1 1 506.536 4.217 50 30 KIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccnc3)sc2c1 ZINC000009425017 553259091 /nfs/dbraw/zinc/25/90/91/553259091.db2.gz KOIHYWHPJVXENM-JOCHJYFZSA-N -1 1 501.520 4.254 50 30 KIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccnc3)sc2c1 ZINC000009425018 553259047 /nfs/dbraw/zinc/25/90/47/553259047.db2.gz KOIHYWHPJVXENM-QFIPXVFZSA-N -1 1 501.520 4.254 50 30 KIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(Br)cc2)s1 ZINC000009456083 553266377 /nfs/dbraw/zinc/26/63/77/553266377.db2.gz PFQIGOVFZHWLJK-GOSISDBHSA-N -1 1 514.357 4.163 50 30 KIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(Br)cc2)s1 ZINC000009456085 553266311 /nfs/dbraw/zinc/26/63/11/553266311.db2.gz PFQIGOVFZHWLJK-SFHVURJKSA-N -1 1 514.357 4.163 50 30 KIEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000009464802 553269385 /nfs/dbraw/zinc/26/93/85/553269385.db2.gz QYLILYAPZFQONN-GOSISDBHSA-N -1 1 503.280 4.382 50 30 KIEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000009464805 553269287 /nfs/dbraw/zinc/26/92/87/553269287.db2.gz QYLILYAPZFQONN-SFHVURJKSA-N -1 1 503.280 4.382 50 30 KIEAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccccc1C#N ZINC000009762203 553303085 /nfs/dbraw/zinc/30/30/85/553303085.db2.gz VMDDKXWFWGNPGO-PXNMLYILSA-N -1 1 508.362 4.239 50 30 KIEAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)COc1ccc(C#N)cc1 ZINC000012312204 553358067 /nfs/dbraw/zinc/35/80/67/553358067.db2.gz RAKVWKOYHXFQAB-UHFFFAOYSA-N -1 1 516.373 4.148 50 30 KIEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)cc1 ZINC000012546649 553391865 /nfs/dbraw/zinc/39/18/65/553391865.db2.gz CSGHLXOEHWGULX-WLRTZDKTSA-N -1 1 507.568 4.437 50 30 KIEAMM O=S(=O)(N=C1CCCN1)c1cccc([N-]S(=O)(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000012546662 553391871 /nfs/dbraw/zinc/39/18/71/553391871.db2.gz PNWMUQISJRYCDW-UHFFFAOYSA-N -1 1 513.685 4.426 50 30 KIEAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)COc1ccccc1C#N ZINC000012564338 553396288 /nfs/dbraw/zinc/39/62/88/553396288.db2.gz QGJDAAUKCBKLBG-UHFFFAOYSA-N -1 1 516.373 4.148 50 30 KIEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000013549306 553470006 /nfs/dbraw/zinc/47/00/06/553470006.db2.gz DAQZJLABLMZVDJ-FQEVSTJZSA-N -1 1 508.552 4.428 50 30 KIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000013549309 553470214 /nfs/dbraw/zinc/47/02/14/553470214.db2.gz DAQZJLABLMZVDJ-HXUWFJFHSA-N -1 1 508.552 4.428 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013550434 553470113 /nfs/dbraw/zinc/47/01/13/553470113.db2.gz VKLMHVMZILSDDY-QHCPKHFHSA-N -1 1 506.511 4.357 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013550436 553470123 /nfs/dbraw/zinc/47/01/23/553470123.db2.gz VKLMHVMZILSDDY-HSZRJFAPSA-N -1 1 506.511 4.357 50 30 KIEAMM O=[N+]([O-])c1ccc([O-])c(C=NN=c2nc(N(c3ccccc3)c3ccccc3)[nH]c(N3CCOCC3)n2)c1 ZINC000013940160 553496158 /nfs/dbraw/zinc/49/61/58/553496158.db2.gz XQUDVMBRDRLFGI-OVVQPSECSA-N -1 1 512.530 4.238 50 30 KIEAMM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3cccnc3)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000013943587 553497096 /nfs/dbraw/zinc/49/70/96/553497096.db2.gz SWSPBBPLZSYKBJ-JQAMDZJQSA-N -1 1 502.335 4.236 50 30 KIEAMM COc1ccc(Nc2nc(N=NCc3cccc([N+](=O)[O-])c3[O-])nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000014921186 553521291 /nfs/dbraw/zinc/52/12/91/553521291.db2.gz YEEHWDJWEMYIIZ-ZMOGYAJESA-N -1 1 517.462 4.335 50 30 KIEAMM C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1)S(C)(=O)=O ZINC000016248407 553557686 /nfs/dbraw/zinc/55/76/86/553557686.db2.gz IHQUJNQEMBANTR-UHFFFAOYSA-N -1 1 520.032 4.345 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccnc2)nc1C ZINC000016741327 553579805 /nfs/dbraw/zinc/57/98/05/553579805.db2.gz SFNOOEAMZICSIC-SPLOXXLWSA-N -1 1 517.563 4.296 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccnc2)nc1C ZINC000016741328 553579778 /nfs/dbraw/zinc/57/97/78/553579778.db2.gz SFNOOEAMZICSIC-LHSJRXKWSA-N -1 1 517.563 4.296 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccnc2)nc1C ZINC000016741329 553579813 /nfs/dbraw/zinc/57/98/13/553579813.db2.gz SFNOOEAMZICSIC-SZNDQCEHSA-N -1 1 517.563 4.296 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccnc2)nc1C ZINC000016741330 553579753 /nfs/dbraw/zinc/57/97/53/553579753.db2.gz SFNOOEAMZICSIC-QKKBWIMNSA-N -1 1 517.563 4.296 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C)cc2)nc1C ZINC000016741450 553579743 /nfs/dbraw/zinc/57/97/43/553579743.db2.gz QFRMLGGRUKNKLW-FQEVSTJZSA-N -1 1 506.536 4.101 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C)cc2)nc1C ZINC000016741450 553579742 /nfs/dbraw/zinc/57/97/42/553579742.db2.gz QFRMLGGRUKNKLW-FQEVSTJZSA-N -1 1 506.536 4.101 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C)cc2)nc1C ZINC000016741451 553579696 /nfs/dbraw/zinc/57/96/96/553579696.db2.gz QFRMLGGRUKNKLW-HXUWFJFHSA-N -1 1 506.536 4.101 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C)cc2)nc1C ZINC000016741451 553579695 /nfs/dbraw/zinc/57/96/95/553579695.db2.gz QFRMLGGRUKNKLW-HXUWFJFHSA-N -1 1 506.536 4.101 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OC)nc1C ZINC000017163118 553589585 /nfs/dbraw/zinc/58/95/85/553589585.db2.gz WZLWEVTYXFTPJN-FQEVSTJZSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OC)nc1C ZINC000017163118 553589583 /nfs/dbraw/zinc/58/95/83/553589583.db2.gz WZLWEVTYXFTPJN-FQEVSTJZSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OC)nc1C ZINC000017163122 553589543 /nfs/dbraw/zinc/58/95/43/553589543.db2.gz WZLWEVTYXFTPJN-HXUWFJFHSA-N -1 1 508.552 4.347 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OC)nc1C ZINC000017163122 553589540 /nfs/dbraw/zinc/58/95/40/553589540.db2.gz WZLWEVTYXFTPJN-HXUWFJFHSA-N -1 1 508.552 4.347 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccnc2)nc1C ZINC000017180264 553590098 /nfs/dbraw/zinc/59/00/98/553590098.db2.gz FJKSENKQHNKZET-HXUWFJFHSA-N -1 1 505.552 4.289 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccnc2)nc1C ZINC000017180265 553590116 /nfs/dbraw/zinc/59/01/16/553590116.db2.gz FJKSENKQHNKZET-FQEVSTJZSA-N -1 1 505.552 4.289 50 30 KIEAMM O=c1[n-]c(=O)n(-c2ccc(F)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(CCc1ccccc1)N2 ZINC000019848731 553623871 /nfs/dbraw/zinc/62/38/71/553623871.db2.gz SZYWDWHIFZJOFO-UHFFFAOYSA-N -1 1 500.374 4.442 50 30 KIEAMM COc1ccc(C([O-])=Cc2nc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3[nH]c2=O)cc1OC ZINC000020156559 553600331 /nfs/dbraw/zinc/60/03/31/553600331.db2.gz KZYIBLIRINTHEZ-JCMHNJIXSA-N -1 1 505.958 4.461 50 30 KIEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCCN3CCOCC3)[n-]c(=O)c1[C@@H]2c1ccc(Cl)cc1 ZINC000020181736 553604224 /nfs/dbraw/zinc/60/42/24/553604224.db2.gz ILTATAJUTJYZHB-LJQANCHMSA-N -1 1 501.052 4.048 50 30 KIEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCCN3CCOCC3)[n-]c(=O)c1[C@H]2c1ccc(Cl)cc1 ZINC000020181738 553604250 /nfs/dbraw/zinc/60/42/50/553604250.db2.gz ILTATAJUTJYZHB-IBGZPJMESA-N -1 1 501.052 4.048 50 30 KIEAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C2CCCCC2)c1CN1CCN(CC#N)CC1 ZINC000022828775 553754088 /nfs/dbraw/zinc/75/40/88/553754088.db2.gz KDPBUHMFKLXYKZ-UHFFFAOYSA-N -1 1 503.441 4.432 50 30 KIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000027529805 553831556 /nfs/dbraw/zinc/83/15/56/553831556.db2.gz SLHNAKRVWMGWMG-XMHCIUCPSA-N -1 1 507.568 4.360 50 30 KIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000027529806 553831630 /nfs/dbraw/zinc/83/16/30/553831630.db2.gz SLHNAKRVWMGWMG-WHEQGISXSA-N -1 1 507.568 4.360 50 30 KIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000027529807 553831535 /nfs/dbraw/zinc/83/15/35/553831535.db2.gz SLHNAKRVWMGWMG-DMZKTXOQSA-N -1 1 507.568 4.360 50 30 KIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000027529808 553831470 /nfs/dbraw/zinc/83/14/70/553831470.db2.gz SLHNAKRVWMGWMG-MCMMXHMISA-N -1 1 507.568 4.360 50 30 KIEAMM O=[N+]([O-])c1ccc(Nc2nc(=NN=Cc3cc(Br)cc(Br)c3[O-])nc(N3CCOCC3)[nH]2)cc1 ZINC000030072333 553855191 /nfs/dbraw/zinc/85/51/91/553855191.db2.gz QNKMMHJJJAASML-FOKLQQMPSA-N -1 1 594.224 4.037 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000053289924 554330990 /nfs/dbraw/zinc/33/09/90/554330990.db2.gz JMZAJKRCXDXLFB-LJQANCHMSA-N -1 1 526.954 4.446 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000053291589 554331871 /nfs/dbraw/zinc/33/18/71/554331871.db2.gz YGSUWVSSYGHWBI-LJQANCHMSA-N -1 1 523.523 4.246 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000053291593 554331934 /nfs/dbraw/zinc/33/19/34/554331934.db2.gz YGSUWVSSYGHWBI-IBGZPJMESA-N -1 1 523.523 4.246 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053292063 554332336 /nfs/dbraw/zinc/33/23/36/554332336.db2.gz ZNRRNSBTQCETEZ-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053292063 554332333 /nfs/dbraw/zinc/33/23/33/554332333.db2.gz ZNRRNSBTQCETEZ-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053292066 554332313 /nfs/dbraw/zinc/33/23/13/554332313.db2.gz ZNRRNSBTQCETEZ-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053292066 554332310 /nfs/dbraw/zinc/33/23/10/554332310.db2.gz ZNRRNSBTQCETEZ-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000053305745 554332860 /nfs/dbraw/zinc/33/28/60/554332860.db2.gz JRPALECZMGJCRT-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000053305745 554332858 /nfs/dbraw/zinc/33/28/58/554332858.db2.gz JRPALECZMGJCRT-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000053305747 554332800 /nfs/dbraw/zinc/33/28/00/554332800.db2.gz JRPALECZMGJCRT-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000053305747 554332798 /nfs/dbraw/zinc/33/27/98/554332798.db2.gz JRPALECZMGJCRT-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000053305835 554332817 /nfs/dbraw/zinc/33/28/17/554332817.db2.gz WWUZMQZAPGMFMJ-HXUWFJFHSA-N -1 1 524.551 4.052 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000053305838 554332842 /nfs/dbraw/zinc/33/28/42/554332842.db2.gz WWUZMQZAPGMFMJ-FQEVSTJZSA-N -1 1 524.551 4.052 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000053306077 554333047 /nfs/dbraw/zinc/33/30/47/554333047.db2.gz QKEBIDCULWMZIU-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000053306077 554333044 /nfs/dbraw/zinc/33/30/44/554333044.db2.gz QKEBIDCULWMZIU-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000053306080 554333262 /nfs/dbraw/zinc/33/32/62/554333262.db2.gz QKEBIDCULWMZIU-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000053306080 554333260 /nfs/dbraw/zinc/33/32/60/554333260.db2.gz QKEBIDCULWMZIU-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053306201 554333586 /nfs/dbraw/zinc/33/35/86/554333586.db2.gz CMRRLZXWOBOBRN-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053306201 554333583 /nfs/dbraw/zinc/33/35/83/554333583.db2.gz CMRRLZXWOBOBRN-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053306203 554333569 /nfs/dbraw/zinc/33/35/69/554333569.db2.gz CMRRLZXWOBOBRN-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053306203 554333566 /nfs/dbraw/zinc/33/35/66/554333566.db2.gz CMRRLZXWOBOBRN-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000053306387 554334046 /nfs/dbraw/zinc/33/40/46/554334046.db2.gz VOAUQTBXFIZJCI-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000053306387 554334042 /nfs/dbraw/zinc/33/40/42/554334042.db2.gz VOAUQTBXFIZJCI-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000053306389 554334023 /nfs/dbraw/zinc/33/40/23/554334023.db2.gz VOAUQTBXFIZJCI-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000053306389 554334019 /nfs/dbraw/zinc/33/40/19/554334019.db2.gz VOAUQTBXFIZJCI-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000053306556 554334003 /nfs/dbraw/zinc/33/40/03/554334003.db2.gz WITQGVDGNFUNQL-NRFANRHFSA-N -1 1 538.578 4.442 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000053306560 554333875 /nfs/dbraw/zinc/33/38/75/554333875.db2.gz WITQGVDGNFUNQL-OAQYLSRUSA-N -1 1 538.578 4.442 50 30 KIEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053306790 554334291 /nfs/dbraw/zinc/33/42/91/554334291.db2.gz XTGOZMLDTIEDFA-NRFANRHFSA-N -1 1 536.562 4.191 50 30 KIEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053306793 554334435 /nfs/dbraw/zinc/33/44/35/554334435.db2.gz XTGOZMLDTIEDFA-OAQYLSRUSA-N -1 1 536.562 4.191 50 30 KIEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000053307406 554334996 /nfs/dbraw/zinc/33/49/96/554334996.db2.gz QTJNJHJOFCBKHW-NRFANRHFSA-N -1 1 538.578 4.442 50 30 KIEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000053307406 554334992 /nfs/dbraw/zinc/33/49/92/554334992.db2.gz QTJNJHJOFCBKHW-NRFANRHFSA-N -1 1 538.578 4.442 50 30 KIEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000053307409 554335172 /nfs/dbraw/zinc/33/51/72/554335172.db2.gz QTJNJHJOFCBKHW-OAQYLSRUSA-N -1 1 538.578 4.442 50 30 KIEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000053307409 554335169 /nfs/dbraw/zinc/33/51/69/554335169.db2.gz QTJNJHJOFCBKHW-OAQYLSRUSA-N -1 1 538.578 4.442 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000053307889 554335533 /nfs/dbraw/zinc/33/55/33/554335533.db2.gz TYSYRLIXACYLPV-LJQANCHMSA-N -1 1 523.523 4.246 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000053307891 554335549 /nfs/dbraw/zinc/33/55/49/554335549.db2.gz TYSYRLIXACYLPV-IBGZPJMESA-N -1 1 523.523 4.246 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000053319101 554335884 /nfs/dbraw/zinc/33/58/84/554335884.db2.gz CVNVIIFAVQQPRI-LJQANCHMSA-N -1 1 523.523 4.246 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000053319102 554335822 /nfs/dbraw/zinc/33/58/22/554335822.db2.gz CVNVIIFAVQQPRI-IBGZPJMESA-N -1 1 523.523 4.246 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000053319220 554336514 /nfs/dbraw/zinc/33/65/14/554336514.db2.gz AZTJXNYQBWWWHO-HXUWFJFHSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000053319220 554336511 /nfs/dbraw/zinc/33/65/11/554336511.db2.gz AZTJXNYQBWWWHO-HXUWFJFHSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000053319221 554336642 /nfs/dbraw/zinc/33/66/42/554336642.db2.gz AZTJXNYQBWWWHO-FQEVSTJZSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000053319221 554336640 /nfs/dbraw/zinc/33/66/40/554336640.db2.gz AZTJXNYQBWWWHO-FQEVSTJZSA-N -1 1 538.578 4.355 50 30 KIEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053332327 554339121 /nfs/dbraw/zinc/33/91/21/554339121.db2.gz HNYUNQNCTJKWKU-QFIPXVFZSA-N -1 1 548.573 4.357 50 30 KIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053332332 554339029 /nfs/dbraw/zinc/33/90/29/554339029.db2.gz HNYUNQNCTJKWKU-JOCHJYFZSA-N -1 1 548.573 4.357 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000053333266 554339398 /nfs/dbraw/zinc/33/93/98/554339398.db2.gz ZAXCWIQYWUVIAY-QFIPXVFZSA-N -1 1 576.583 4.135 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000053333270 554339458 /nfs/dbraw/zinc/33/94/58/554339458.db2.gz ZAXCWIQYWUVIAY-JOCHJYFZSA-N -1 1 576.583 4.135 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000053336070 554341367 /nfs/dbraw/zinc/34/13/67/554341367.db2.gz XJLWNGLBDUUNRL-NRFANRHFSA-N -1 1 536.562 4.191 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000053336075 554341510 /nfs/dbraw/zinc/34/15/10/554341510.db2.gz XJLWNGLBDUUNRL-OAQYLSRUSA-N -1 1 536.562 4.191 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000053336872 554341821 /nfs/dbraw/zinc/34/18/21/554341821.db2.gz RWKIBHYLCHQTSW-ZSEKCTLFSA-N -1 1 548.573 4.131 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2F)nc1C ZINC000053339223 554343302 /nfs/dbraw/zinc/34/33/02/554343302.db2.gz JJHZWAYVBWBNJI-FQEVSTJZSA-N -1 1 524.526 4.321 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2F)nc1C ZINC000053339228 554343265 /nfs/dbraw/zinc/34/32/65/554343265.db2.gz JJHZWAYVBWBNJI-HXUWFJFHSA-N -1 1 524.526 4.321 50 30 KIEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCCN3CCOCC3)[n-]c(=O)c1[C@H]2c1ccc(Br)cc1 ZINC000059522975 554404211 /nfs/dbraw/zinc/40/42/11/554404211.db2.gz ONKCWJXAKZKEMJ-IBGZPJMESA-N -1 1 545.503 4.157 50 30 KIEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCCN3CCOCC3)[n-]c(=O)c1[C@@H]2c1ccc(Br)cc1 ZINC000059522979 554404414 /nfs/dbraw/zinc/40/44/14/554404414.db2.gz ONKCWJXAKZKEMJ-LJQANCHMSA-N -1 1 545.503 4.157 50 30 KIEAMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000059690586 554424404 /nfs/dbraw/zinc/42/44/04/554424404.db2.gz MUAAAYIQEQIONT-GFCCVEGCSA-N -1 1 519.464 4.228 50 30 KIEAMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000059690590 554424382 /nfs/dbraw/zinc/42/43/82/554424382.db2.gz MUAAAYIQEQIONT-LBPRGKRZSA-N -1 1 519.464 4.228 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000059735383 554427401 /nfs/dbraw/zinc/42/74/01/554427401.db2.gz OBMGOCJTPSNELG-LJQANCHMSA-N -1 1 524.551 4.047 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000059735389 554427262 /nfs/dbraw/zinc/42/72/62/554427262.db2.gz OBMGOCJTPSNELG-IBGZPJMESA-N -1 1 524.551 4.047 50 30 KIEAMM C=CCSc1nc(N)c(C(c2ccc(Cl)cc2Cl)c2c(N)nc(SCC=C)[nH]c2=O)c(=O)[n-]1 ZINC000095725761 553711072 /nfs/dbraw/zinc/71/10/72/553711072.db2.gz KGHGRBURRGGVNB-UHFFFAOYSA-N -1 1 523.471 4.061 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4cccc(OC)c4o3)[C@H]2c2cccc(O)c2)nc1C ZINC000096021902 553718189 /nfs/dbraw/zinc/71/81/89/553718189.db2.gz CPWYJMFCUNKKES-LJQANCHMSA-N -1 1 520.519 4.481 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4cccc(OC)c4o3)[C@@H]2c2cccc(O)c2)nc1C ZINC000096021903 553718156 /nfs/dbraw/zinc/71/81/56/553718156.db2.gz CPWYJMFCUNKKES-IBGZPJMESA-N -1 1 520.519 4.481 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000097951627 553810237 /nfs/dbraw/zinc/81/02/37/553810237.db2.gz PPFLTELXNOVXHQ-HXUWFJFHSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000097951627 553810234 /nfs/dbraw/zinc/81/02/34/553810234.db2.gz PPFLTELXNOVXHQ-HXUWFJFHSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000097951628 553810280 /nfs/dbraw/zinc/81/02/80/553810280.db2.gz PPFLTELXNOVXHQ-FQEVSTJZSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000097951628 553810278 /nfs/dbraw/zinc/81/02/78/553810278.db2.gz PPFLTELXNOVXHQ-FQEVSTJZSA-N -1 1 538.578 4.355 50 30 KIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000097952271 553814395 /nfs/dbraw/zinc/81/43/95/553814395.db2.gz SGSZKSDCRNLPDD-OAQYLSRUSA-N -1 1 538.578 4.437 50 30 KIEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000097952272 553814316 /nfs/dbraw/zinc/81/43/16/553814316.db2.gz SGSZKSDCRNLPDD-NRFANRHFSA-N -1 1 538.578 4.437 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097952341 553815213 /nfs/dbraw/zinc/81/52/13/553815213.db2.gz FMKNHLITIGWHDT-HXUWFJFHSA-N -1 1 524.551 4.047 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097952342 553815182 /nfs/dbraw/zinc/81/51/82/553815182.db2.gz FMKNHLITIGWHDT-FQEVSTJZSA-N -1 1 524.551 4.047 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000097952354 553815085 /nfs/dbraw/zinc/81/50/85/553815085.db2.gz RBGSQMLQEJGKQQ-HXUWFJFHSA-N -1 1 524.551 4.047 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000097952355 553815072 /nfs/dbraw/zinc/81/50/72/553815072.db2.gz RBGSQMLQEJGKQQ-FQEVSTJZSA-N -1 1 524.551 4.047 50 30 KIEAMM CCOc1cc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000097952566 553816640 /nfs/dbraw/zinc/81/66/40/553816640.db2.gz RIPRLRGMVWHSCH-HXUWFJFHSA-N -1 1 524.551 4.134 50 30 KIEAMM CCOc1cc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000097952567 553816649 /nfs/dbraw/zinc/81/66/49/553816649.db2.gz RIPRLRGMVWHSCH-FQEVSTJZSA-N -1 1 524.551 4.134 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2F)nc1C ZINC000097952963 553818215 /nfs/dbraw/zinc/81/82/15/553818215.db2.gz HXZQOFAKBVFLTE-OAQYLSRUSA-N -1 1 536.537 4.488 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2F)nc1C ZINC000097952964 553818114 /nfs/dbraw/zinc/81/81/14/553818114.db2.gz HXZQOFAKBVFLTE-NRFANRHFSA-N -1 1 536.537 4.488 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097955081 553828375 /nfs/dbraw/zinc/82/83/75/553828375.db2.gz RWKIBHYLCHQTSW-YEJXKQKISA-N -1 1 548.573 4.131 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097955082 553828321 /nfs/dbraw/zinc/82/83/21/553828321.db2.gz RWKIBHYLCHQTSW-LRTDBIEQSA-N -1 1 548.573 4.131 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097955083 553828327 /nfs/dbraw/zinc/82/83/27/553828327.db2.gz RWKIBHYLCHQTSW-ASSNKEHSSA-N -1 1 548.573 4.131 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000097956848 553842563 /nfs/dbraw/zinc/84/25/63/553842563.db2.gz KNTLCWNUWBWTKM-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000097956848 553842558 /nfs/dbraw/zinc/84/25/58/553842558.db2.gz KNTLCWNUWBWTKM-OAQYLSRUSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000097956849 553842608 /nfs/dbraw/zinc/84/26/08/553842608.db2.gz KNTLCWNUWBWTKM-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000097956849 553842604 /nfs/dbraw/zinc/84/26/04/553842604.db2.gz KNTLCWNUWBWTKM-NRFANRHFSA-N -1 1 538.578 4.355 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097956856 553842680 /nfs/dbraw/zinc/84/26/80/553842680.db2.gz NSMXJCXTUSGZAJ-HXUWFJFHSA-N -1 1 524.551 4.052 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097956857 553842726 /nfs/dbraw/zinc/84/27/26/553842726.db2.gz NSMXJCXTUSGZAJ-FQEVSTJZSA-N -1 1 524.551 4.052 50 30 KIEAMM CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000097959467 553863973 /nfs/dbraw/zinc/86/39/73/553863973.db2.gz IKBGYZKBURKAPP-VVGLJFDHSA-N -1 1 540.823 4.476 50 30 KIEAMM CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000097959468 553864004 /nfs/dbraw/zinc/86/40/04/553864004.db2.gz IKBGYZKBURKAPP-JZHPBVHJSA-N -1 1 540.823 4.476 50 30 KIEAMM CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc(I)c1OCc1ccccc1Cl ZINC000097959476 553863979 /nfs/dbraw/zinc/86/39/79/553863979.db2.gz OXIBBFPQEDAECE-VVGLJFDHSA-N -1 1 587.823 4.319 50 30 KIEAMM CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc(I)c1OCc1ccccc1Cl ZINC000097959477 553863957 /nfs/dbraw/zinc/86/39/57/553863957.db2.gz OXIBBFPQEDAECE-JZHPBVHJSA-N -1 1 587.823 4.319 50 30 KIEAMM COc1ccc(C=CC(=O)N=C(Nc2ccccc2)Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[n-]2)cc1OC ZINC000097960489 553871867 /nfs/dbraw/zinc/87/18/67/553871867.db2.gz CBMXBYAKQISVDA-JQIJEIRASA-N -1 1 609.672 4.175 50 30 KIEAMM [O-]c1c(I)cc(I)cc1/C=N/CC(O)C/N=C/c1cc(I)cc(I)c1O ZINC000097961997 553882295 /nfs/dbraw/zinc/88/22/95/553882295.db2.gz DSDOCFVXOUDSOI-WFEWZNOJSA-N -1 1 801.926 4.415 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097966892 553911586 /nfs/dbraw/zinc/91/15/86/553911586.db2.gz XSZZMEHPTSDGBY-NRFANRHFSA-N -1 1 568.604 4.364 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097966893 553911519 /nfs/dbraw/zinc/91/15/19/553911519.db2.gz XSZZMEHPTSDGBY-OAQYLSRUSA-N -1 1 568.604 4.364 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970637 553956749 /nfs/dbraw/zinc/95/67/49/553956749.db2.gz YJBLLJNHDOSJKS-LJQANCHMSA-N -1 1 617.430 4.269 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970638 553956723 /nfs/dbraw/zinc/95/67/23/553956723.db2.gz YJBLLJNHDOSJKS-IBGZPJMESA-N -1 1 617.430 4.269 50 30 KIEAMM Cc1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3[O-])nc(N3CCOCC3)n2)cc1 ZINC000098001367 554052246 /nfs/dbraw/zinc/05/22/46/554052246.db2.gz PEVANLAUDIHJKJ-WYMPLXKRSA-N -1 1 657.254 4.121 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000098046567 554140561 /nfs/dbraw/zinc/14/05/61/554140561.db2.gz GSIYOFKLLWFANO-JOCHJYFZSA-N -1 1 566.588 4.200 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000098046568 554140554 /nfs/dbraw/zinc/14/05/54/554140554.db2.gz GSIYOFKLLWFANO-QFIPXVFZSA-N -1 1 566.588 4.200 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(F)cc2)nc1C ZINC000098046569 554140631 /nfs/dbraw/zinc/14/06/31/554140631.db2.gz MDORQXDUOWYZIF-OAQYLSRUSA-N -1 1 536.537 4.488 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(F)cc2)nc1C ZINC000098046570 554140834 /nfs/dbraw/zinc/14/08/34/554140834.db2.gz MDORQXDUOWYZIF-NRFANRHFSA-N -1 1 536.537 4.488 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000098047145 554146969 /nfs/dbraw/zinc/14/69/69/554146969.db2.gz IZQCSKGOCPVLRC-HXUWFJFHSA-N -1 1 524.551 4.047 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000098047146 554147010 /nfs/dbraw/zinc/14/70/10/554147010.db2.gz IZQCSKGOCPVLRC-FQEVSTJZSA-N -1 1 524.551 4.047 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047285 554148778 /nfs/dbraw/zinc/14/87/78/554148778.db2.gz SJAYWFLNZJLBGJ-OAQYLSRUSA-N -1 1 538.578 4.471 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047286 554148908 /nfs/dbraw/zinc/14/89/08/554148908.db2.gz SJAYWFLNZJLBGJ-NRFANRHFSA-N -1 1 538.578 4.471 50 30 KIEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc(Br)c1O ZINC000098047885 554157397 /nfs/dbraw/zinc/15/73/97/554157397.db2.gz CJMWYPQGRNCTSN-APBUJDDRSA-N -1 1 558.410 4.430 50 30 KIEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc(Br)c1O ZINC000098047886 554157280 /nfs/dbraw/zinc/15/72/80/554157280.db2.gz CJMWYPQGRNCTSN-OVWNDWIMSA-N -1 1 558.410 4.430 50 30 KIEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc(Br)c1O ZINC000098047887 554157405 /nfs/dbraw/zinc/15/74/05/554157405.db2.gz CJMWYPQGRNCTSN-GIGQVBGESA-N -1 1 558.410 4.430 50 30 KIEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc(Br)c1O ZINC000098047888 554157433 /nfs/dbraw/zinc/15/74/33/554157433.db2.gz CJMWYPQGRNCTSN-DGIBIBHMSA-N -1 1 558.410 4.430 50 30 KIEAMM C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)c2c1 ZINC000098049792 554169061 /nfs/dbraw/zinc/16/90/61/554169061.db2.gz JYYCZNCPJZTSGV-QHCPKHFHSA-N -1 1 547.633 4.324 50 30 KIEAMM C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)c(=O)c2c1 ZINC000098049793 554169146 /nfs/dbraw/zinc/16/91/46/554169146.db2.gz JYYCZNCPJZTSGV-HSZRJFAPSA-N -1 1 547.633 4.324 50 30 KIEAMM CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000100257839 554265002 /nfs/dbraw/zinc/26/50/02/554265002.db2.gz MCLDMRHCGSKQII-JOCHJYFZSA-N -1 1 528.945 4.087 50 30 KIEAMM CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000100257845 554264880 /nfs/dbraw/zinc/26/48/80/554264880.db2.gz MCLDMRHCGSKQII-QFIPXVFZSA-N -1 1 528.945 4.087 50 30 KIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000100496773 554404327 /nfs/dbraw/zinc/40/43/27/554404327.db2.gz NOYAEPOMJGQDFT-JBCNATCCSA-N -1 1 506.536 4.060 50 30 KIEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000100496774 554404219 /nfs/dbraw/zinc/40/42/19/554404219.db2.gz NOYAEPOMJGQDFT-MRJHHRETSA-N -1 1 506.536 4.060 50 30 KIEAMM O=C(CN1C(=O)C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cc(Br)ccc21)Nc1ccccc1 ZINC000100497005 554404294 /nfs/dbraw/zinc/40/42/94/554404294.db2.gz ALNJZHLWPSJALG-YYADALCUSA-N -1 1 539.302 4.067 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000100677187 554444250 /nfs/dbraw/zinc/44/42/50/554444250.db2.gz MTELXJGGSNVVJZ-FQEVSTJZSA-N -1 1 556.568 4.494 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000100677188 554444234 /nfs/dbraw/zinc/44/42/34/554444234.db2.gz MTELXJGGSNVVJZ-HXUWFJFHSA-N -1 1 556.568 4.494 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000100677196 554444204 /nfs/dbraw/zinc/44/42/04/554444204.db2.gz DDIWUQGKLLLLLT-FQEVSTJZSA-N -1 1 526.542 4.486 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000100677198 554444272 /nfs/dbraw/zinc/44/42/72/554444272.db2.gz DDIWUQGKLLLLLT-HXUWFJFHSA-N -1 1 526.542 4.486 50 30 KIEAMM CCOC(=O)[C@H]([C@H](SC)c1ccc(OC(=O)c2ccccc2)cc1)N([O-])C(=O)[C@H](C)Br ZINC000100695041 554450748 /nfs/dbraw/zinc/45/07/48/554450748.db2.gz ZTJWDCOIXCAEQR-ZOCIIQOWSA-N -1 1 510.406 4.243 50 30 KIEAMM CCOC(=O)[C@H]([C@@H](SC)c1ccc(OC(=O)c2ccccc2)cc1)N([O-])C(=O)[C@H](C)Br ZINC000100695048 554450711 /nfs/dbraw/zinc/45/07/11/554450711.db2.gz ZTJWDCOIXCAEQR-JVPBZIDWSA-N -1 1 510.406 4.243 50 30 KIEAMM O=C(C=C([O-])C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(NC2=CC(=O)C(=O)c3ccccc32)c1 ZINC000100742309 554463432 /nfs/dbraw/zinc/46/34/32/554463432.db2.gz QQRDWYMQTOCZOF-UHFFFAOYSA-N -1 1 517.881 4.247 50 30 KIEAMM Cc1ccc(Nc2nc(=NN=Cc3cc(Br)cc(Br)c3[O-])nc(N3CCOCC3)[nH]2)cc1 ZINC000100983546 554548293 /nfs/dbraw/zinc/54/82/93/554548293.db2.gz FDOSCYKNFJLDTL-WYMPLXKRSA-N -1 1 563.254 4.437 50 30 KIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(Br)cc2)s1 ZINC000101072910 554576536 /nfs/dbraw/zinc/57/65/36/554576536.db2.gz DTFPXGMXYXNGLM-SELCWUDQSA-N -1 1 514.357 4.007 50 30 KIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(Br)cc2)s1 ZINC000101072912 554576572 /nfs/dbraw/zinc/57/65/72/554576572.db2.gz DTFPXGMXYXNGLM-GHNGSUTGSA-N -1 1 514.357 4.007 50 30 KIEAMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F ZINC000101253890 554694474 /nfs/dbraw/zinc/69/44/74/554694474.db2.gz BEVMUMQMJHAOAL-GFCCVEGCSA-N -1 1 519.464 4.228 50 30 KIEAMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F ZINC000101253892 554694455 /nfs/dbraw/zinc/69/44/55/554694455.db2.gz BEVMUMQMJHAOAL-LBPRGKRZSA-N -1 1 519.464 4.228 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2F)nc1C ZINC000101276846 554703604 /nfs/dbraw/zinc/70/36/04/554703604.db2.gz IFPGHVIPSBXROU-JBCNATCCSA-N -1 1 536.537 4.331 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2F)nc1C ZINC000101276849 554703510 /nfs/dbraw/zinc/70/35/10/554703510.db2.gz IFPGHVIPSBXROU-MRJHHRETSA-N -1 1 536.537 4.331 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000101277295 554703532 /nfs/dbraw/zinc/70/35/32/554703532.db2.gz AHLVURCZDLLPPS-MOBKVPTQSA-N -1 1 550.589 4.452 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000101277296 554703537 /nfs/dbraw/zinc/70/35/37/554703537.db2.gz AHLVURCZDLLPPS-HOGKFDNTSA-N -1 1 550.589 4.452 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C ZINC000101278043 554704500 /nfs/dbraw/zinc/70/45/00/554704500.db2.gz VABXUQZZBPBJDT-MRJHHRETSA-N -1 1 520.563 4.443 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C ZINC000101278043 554704499 /nfs/dbraw/zinc/70/44/99/554704499.db2.gz VABXUQZZBPBJDT-MRJHHRETSA-N -1 1 520.563 4.443 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)cc2)nc1C ZINC000101278045 554704484 /nfs/dbraw/zinc/70/44/84/554704484.db2.gz VABXUQZZBPBJDT-JBCNATCCSA-N -1 1 520.563 4.443 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(O)cc2)nc1C ZINC000101278045 554704482 /nfs/dbraw/zinc/70/44/82/554704482.db2.gz VABXUQZZBPBJDT-JBCNATCCSA-N -1 1 520.563 4.443 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccnc2)nc1C ZINC000101278524 554705077 /nfs/dbraw/zinc/70/50/77/554705077.db2.gz UTBLCSGOODNBNN-NHFXJNLRSA-N -1 1 505.552 4.133 50 30 KIEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccnc2)nc1C ZINC000101278525 554705063 /nfs/dbraw/zinc/70/50/63/554705063.db2.gz UTBLCSGOODNBNN-YDJIHCHBSA-N -1 1 505.552 4.133 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101287044 554706136 /nfs/dbraw/zinc/70/61/36/554706136.db2.gz PLUIJAYJRGSPDE-ZHHPLPSFSA-N -1 1 506.511 4.200 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101287046 554706115 /nfs/dbraw/zinc/70/61/15/554706115.db2.gz PLUIJAYJRGSPDE-AYWGPLOBSA-N -1 1 506.511 4.200 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000101287555 554706455 /nfs/dbraw/zinc/70/64/55/554706455.db2.gz PXCAOPWRDMTJRA-YDJIHCHBSA-N -1 1 506.536 4.135 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(O)cc2)cc1 ZINC000101287557 554706444 /nfs/dbraw/zinc/70/64/44/554706444.db2.gz PXCAOPWRDMTJRA-NHFXJNLRSA-N -1 1 506.536 4.135 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccnc2)cc1 ZINC000101288348 554706906 /nfs/dbraw/zinc/70/69/06/554706906.db2.gz YHTKOSCPDJXZJB-YDJIHCHBSA-N -1 1 505.552 4.214 50 30 KIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccnc2)cc1 ZINC000101288353 554706870 /nfs/dbraw/zinc/70/68/70/554706870.db2.gz YHTKOSCPDJXZJB-NHFXJNLRSA-N -1 1 505.552 4.214 50 30 KIEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000101294392 554711161 /nfs/dbraw/zinc/71/11/61/554711161.db2.gz LNORHISFZNNOFL-JBCNATCCSA-N -1 1 520.563 4.438 50 30 KIEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000101294396 554711178 /nfs/dbraw/zinc/71/11/78/554711178.db2.gz LNORHISFZNNOFL-MRJHHRETSA-N -1 1 520.563 4.438 50 30 KIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000101313920 554722554 /nfs/dbraw/zinc/72/25/54/554722554.db2.gz PWWWJKYAKJGQJN-HOGKFDNTSA-N -1 1 548.573 4.200 50 30 KIEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000101313921 554722549 /nfs/dbraw/zinc/72/25/49/554722549.db2.gz PWWWJKYAKJGQJN-MOBKVPTQSA-N -1 1 548.573 4.200 50 30 KIEAMM COc1cc(-c2cc3n(c(=N)c2C#N)CCc2cc(OC)c(OC)cc2-3)cc(I)c1[O-] ZINC000101389541 554753831 /nfs/dbraw/zinc/75/38/31/554753831.db2.gz GFPRJHSOWHBLAK-UHFFFAOYSA-N -1 1 529.334 4.065 50 30 KIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101502664 554789018 /nfs/dbraw/zinc/78/90/18/554789018.db2.gz SCNQMWRIIREYFW-RKKARLDVSA-N -1 1 502.439 4.088 50 30 KIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101502666 554789054 /nfs/dbraw/zinc/78/90/54/554789054.db2.gz SCNQMWRIIREYFW-VFJWVMJUSA-N -1 1 502.439 4.088 50 30 KIEAMM CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1cc(I)cc(I)c1[O-] ZINC000102046528 554870236 /nfs/dbraw/zinc/87/02/36/554870236.db2.gz KNXXRPGOHJQVNJ-LBPRGKRZSA-N -1 1 577.160 4.231 50 30 KIEAMM CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1cc(I)cc(I)c1[O-] ZINC000102046533 554870209 /nfs/dbraw/zinc/87/02/09/554870209.db2.gz KNXXRPGOHJQVNJ-GFCCVEGCSA-N -1 1 577.160 4.231 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102482907 554937607 /nfs/dbraw/zinc/93/76/07/554937607.db2.gz BENGXMMJNIGCJR-YDJIHCHBSA-N -1 1 526.542 4.411 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102482914 554937737 /nfs/dbraw/zinc/93/77/37/554937737.db2.gz BENGXMMJNIGCJR-NHFXJNLRSA-N -1 1 526.542 4.411 50 30 KIEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102486348 554938311 /nfs/dbraw/zinc/93/83/11/554938311.db2.gz GXBSZLRGHLYGGL-JBCNATCCSA-N -1 1 538.578 4.286 50 30 KIEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102486348 554938310 /nfs/dbraw/zinc/93/83/10/554938310.db2.gz GXBSZLRGHLYGGL-JBCNATCCSA-N -1 1 538.578 4.286 50 30 KIEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102486354 554938274 /nfs/dbraw/zinc/93/82/74/554938274.db2.gz GXBSZLRGHLYGGL-MRJHHRETSA-N -1 1 538.578 4.286 50 30 KIEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102486354 554938273 /nfs/dbraw/zinc/93/82/73/554938273.db2.gz GXBSZLRGHLYGGL-MRJHHRETSA-N -1 1 538.578 4.286 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102489526 554938850 /nfs/dbraw/zinc/93/88/50/554938850.db2.gz IUXNDLCQGXPUQQ-NHFXJNLRSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102489526 554938849 /nfs/dbraw/zinc/93/88/49/554938849.db2.gz IUXNDLCQGXPUQQ-NHFXJNLRSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102489534 554939115 /nfs/dbraw/zinc/93/91/15/554939115.db2.gz IUXNDLCQGXPUQQ-YDJIHCHBSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102489534 554939113 /nfs/dbraw/zinc/93/91/13/554939113.db2.gz IUXNDLCQGXPUQQ-YDJIHCHBSA-N -1 1 508.552 4.190 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102499184 554941883 /nfs/dbraw/zinc/94/18/83/554941883.db2.gz JHZWSZGATINKFN-JBCNATCCSA-N -1 1 510.568 4.421 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102499193 554941909 /nfs/dbraw/zinc/94/19/09/554941909.db2.gz JHZWSZGATINKFN-MRJHHRETSA-N -1 1 510.568 4.421 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102499462 554941845 /nfs/dbraw/zinc/94/18/45/554941845.db2.gz NWISHAYLPRNDOM-SELCWUDQSA-N -1 1 511.487 4.302 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102499470 554941928 /nfs/dbraw/zinc/94/19/28/554941928.db2.gz NWISHAYLPRNDOM-GHNGSUTGSA-N -1 1 511.487 4.302 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000102503430 554943962 /nfs/dbraw/zinc/94/39/62/554943962.db2.gz MDCOEKNMPZANTR-MRJHHRETSA-N -1 1 568.604 4.207 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000102503438 554943945 /nfs/dbraw/zinc/94/39/45/554943945.db2.gz MDCOEKNMPZANTR-JBCNATCCSA-N -1 1 568.604 4.207 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102506044 554944577 /nfs/dbraw/zinc/94/45/77/554944577.db2.gz HOUWNUAGZOHURZ-WOOAAIBNSA-N -1 1 523.523 4.090 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102506054 554944629 /nfs/dbraw/zinc/94/46/29/554944629.db2.gz HOUWNUAGZOHURZ-LFVOPCPISA-N -1 1 523.523 4.090 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102506406 554944620 /nfs/dbraw/zinc/94/46/20/554944620.db2.gz BOMNHLPRYGWZTN-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102506406 554944619 /nfs/dbraw/zinc/94/46/19/554944619.db2.gz BOMNHLPRYGWZTN-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102506415 554944612 /nfs/dbraw/zinc/94/46/12/554944612.db2.gz BOMNHLPRYGWZTN-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102506415 554944611 /nfs/dbraw/zinc/94/46/11/554944611.db2.gz BOMNHLPRYGWZTN-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000102512001 554946568 /nfs/dbraw/zinc/94/65/68/554946568.db2.gz WTIVPXWCJKOUEA-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000102512001 554946566 /nfs/dbraw/zinc/94/65/66/554946566.db2.gz WTIVPXWCJKOUEA-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000102512009 554946454 /nfs/dbraw/zinc/94/64/54/554946454.db2.gz WTIVPXWCJKOUEA-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000102512009 554946451 /nfs/dbraw/zinc/94/64/51/554946451.db2.gz WTIVPXWCJKOUEA-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102516499 554947900 /nfs/dbraw/zinc/94/79/00/554947900.db2.gz DAPAAXMSYAPYDR-YDJIHCHBSA-N -1 1 537.550 4.480 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102516508 554947989 /nfs/dbraw/zinc/94/79/89/554947989.db2.gz DAPAAXMSYAPYDR-NHFXJNLRSA-N -1 1 537.550 4.480 50 30 KIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102517176 554948267 /nfs/dbraw/zinc/94/82/67/554948267.db2.gz WWJRUUCIZCJCGS-NHFXJNLRSA-N -1 1 508.552 4.272 50 30 KIEAMM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102517176 554948266 /nfs/dbraw/zinc/94/82/66/554948266.db2.gz WWJRUUCIZCJCGS-NHFXJNLRSA-N -1 1 508.552 4.272 50 30 KIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102517185 554948230 /nfs/dbraw/zinc/94/82/30/554948230.db2.gz WWJRUUCIZCJCGS-YDJIHCHBSA-N -1 1 508.552 4.272 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000102517887 554948693 /nfs/dbraw/zinc/94/86/93/554948693.db2.gz BYJQCSTXCUSRFM-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000102517887 554948691 /nfs/dbraw/zinc/94/86/91/554948691.db2.gz BYJQCSTXCUSRFM-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000102517895 554948764 /nfs/dbraw/zinc/94/87/64/554948764.db2.gz BYJQCSTXCUSRFM-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000102517895 554948763 /nfs/dbraw/zinc/94/87/63/554948763.db2.gz BYJQCSTXCUSRFM-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)cc2)nc1C ZINC000102524731 554951341 /nfs/dbraw/zinc/95/13/41/554951341.db2.gz LQLRWLRZCBGAFF-YDJIHCHBSA-N -1 1 508.552 4.277 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C ZINC000102524737 554951397 /nfs/dbraw/zinc/95/13/97/554951397.db2.gz LQLRWLRZCBGAFF-NHFXJNLRSA-N -1 1 508.552 4.277 50 30 KIEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000102526570 554952185 /nfs/dbraw/zinc/95/21/85/554952185.db2.gz VZXIUJKBEFYTGL-SELCWUDQSA-N -1 1 503.280 4.225 50 30 KIEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000102526576 554952175 /nfs/dbraw/zinc/95/21/75/554952175.db2.gz VZXIUJKBEFYTGL-GHNGSUTGSA-N -1 1 503.280 4.225 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102526984 554952497 /nfs/dbraw/zinc/95/24/97/554952497.db2.gz XTUZFWQTFITMNK-YDJIHCHBSA-N -1 1 537.550 4.480 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102526992 554952504 /nfs/dbraw/zinc/95/25/04/554952504.db2.gz XTUZFWQTFITMNK-NHFXJNLRSA-N -1 1 537.550 4.480 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102527610 554952708 /nfs/dbraw/zinc/95/27/08/554952708.db2.gz PPYYPYZITFGMST-WOOAAIBNSA-N -1 1 523.523 4.090 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102527616 554952749 /nfs/dbraw/zinc/95/27/49/554952749.db2.gz PPYYPYZITFGMST-LFVOPCPISA-N -1 1 523.523 4.090 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102528656 554953174 /nfs/dbraw/zinc/95/31/74/554953174.db2.gz AHSAIQCDTAQRBO-GROYHEBESA-N -1 1 513.915 4.426 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102528663 554953054 /nfs/dbraw/zinc/95/30/54/554953054.db2.gz AHSAIQCDTAQRBO-HVESIFNPSA-N -1 1 513.915 4.426 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000102529653 554953479 /nfs/dbraw/zinc/95/34/79/554953479.db2.gz OPTKIKCEHMTCBC-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000102529653 554953478 /nfs/dbraw/zinc/95/34/78/554953478.db2.gz OPTKIKCEHMTCBC-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000102529663 554953490 /nfs/dbraw/zinc/95/34/90/554953490.db2.gz OPTKIKCEHMTCBC-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000102529663 554953489 /nfs/dbraw/zinc/95/34/89/554953489.db2.gz OPTKIKCEHMTCBC-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000102530432 554953573 /nfs/dbraw/zinc/95/35/73/554953573.db2.gz JXFBPSSWNSUSDD-NHFXJNLRSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000102530432 554953570 /nfs/dbraw/zinc/95/35/70/554953570.db2.gz JXFBPSSWNSUSDD-NHFXJNLRSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000102530443 554953718 /nfs/dbraw/zinc/95/37/18/554953718.db2.gz JXFBPSSWNSUSDD-YDJIHCHBSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000102530443 554953717 /nfs/dbraw/zinc/95/37/17/554953717.db2.gz JXFBPSSWNSUSDD-YDJIHCHBSA-N -1 1 538.578 4.199 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102535917 554955382 /nfs/dbraw/zinc/95/53/82/554955382.db2.gz DSUBWNSISCQMPO-SELCWUDQSA-N -1 1 511.487 4.302 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102535925 554955729 /nfs/dbraw/zinc/95/57/29/554955729.db2.gz DSUBWNSISCQMPO-GHNGSUTGSA-N -1 1 511.487 4.302 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102535994 554955606 /nfs/dbraw/zinc/95/56/06/554955606.db2.gz WHDKIRGJAJBMOP-JBCNATCCSA-N -1 1 538.578 4.286 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102536002 554955623 /nfs/dbraw/zinc/95/56/23/554955623.db2.gz WHDKIRGJAJBMOP-MRJHHRETSA-N -1 1 538.578 4.286 50 30 KIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2OC)cc1 ZINC000102536853 554955898 /nfs/dbraw/zinc/95/58/98/554955898.db2.gz PIUIJIUHNFQOGO-NHFXJNLRSA-N -1 1 508.552 4.272 50 30 KIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102536863 554955942 /nfs/dbraw/zinc/95/59/42/554955942.db2.gz PIUIJIUHNFQOGO-YDJIHCHBSA-N -1 1 508.552 4.272 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)cc2)nc1C ZINC000102541728 554957615 /nfs/dbraw/zinc/95/76/15/554957615.db2.gz JIJXVTAWIGGRQO-YDJIHCHBSA-N -1 1 508.552 4.277 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000102541735 554957589 /nfs/dbraw/zinc/95/75/89/554957589.db2.gz JIJXVTAWIGGRQO-NHFXJNLRSA-N -1 1 508.552 4.277 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102542829 554958122 /nfs/dbraw/zinc/95/81/22/554958122.db2.gz MAGPJCHDYORYBX-GROYHEBESA-N -1 1 513.915 4.426 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102542835 554958217 /nfs/dbraw/zinc/95/82/17/554958217.db2.gz MAGPJCHDYORYBX-HVESIFNPSA-N -1 1 513.915 4.426 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000102546442 554959420 /nfs/dbraw/zinc/95/94/20/554959420.db2.gz MFVFEOMOJVVQPW-MJIMAAISSA-N -1 1 508.527 4.327 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000102546449 554959519 /nfs/dbraw/zinc/95/95/19/554959519.db2.gz MFVFEOMOJVVQPW-RTDSZZKTSA-N -1 1 508.527 4.327 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102552908 554962779 /nfs/dbraw/zinc/96/27/79/554962779.db2.gz UTXWMTCEEJOFEC-JVZIKCOHSA-N -1 1 562.600 4.365 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102552915 554962865 /nfs/dbraw/zinc/96/28/65/554962865.db2.gz UTXWMTCEEJOFEC-CTVAMRBASA-N -1 1 562.600 4.365 50 30 KIEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102586764 554973263 /nfs/dbraw/zinc/97/32/63/554973263.db2.gz CVUHZEPAHRSCJU-HOGKFDNTSA-N -1 1 520.563 4.450 50 30 KIEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102586764 554973259 /nfs/dbraw/zinc/97/32/59/554973259.db2.gz CVUHZEPAHRSCJU-HOGKFDNTSA-N -1 1 520.563 4.450 50 30 KIEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102586770 554973544 /nfs/dbraw/zinc/97/35/44/554973544.db2.gz CVUHZEPAHRSCJU-MOBKVPTQSA-N -1 1 520.563 4.450 50 30 KIEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102586770 554973542 /nfs/dbraw/zinc/97/35/42/554973542.db2.gz CVUHZEPAHRSCJU-MOBKVPTQSA-N -1 1 520.563 4.450 50 30 KIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000102587379 554973580 /nfs/dbraw/zinc/97/35/80/554973580.db2.gz OXJSAABJAFMUCF-ZHHPLPSFSA-N -1 1 516.531 4.408 50 30 KIEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000102587379 554973578 /nfs/dbraw/zinc/97/35/78/554973578.db2.gz OXJSAABJAFMUCF-ZHHPLPSFSA-N -1 1 516.531 4.408 50 30 KIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000102587385 554973491 /nfs/dbraw/zinc/97/34/91/554973491.db2.gz OXJSAABJAFMUCF-AYWGPLOBSA-N -1 1 516.531 4.408 50 30 KIEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000102587385 554973489 /nfs/dbraw/zinc/97/34/89/554973489.db2.gz OXJSAABJAFMUCF-AYWGPLOBSA-N -1 1 516.531 4.408 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)nc1C ZINC000102611003 554980979 /nfs/dbraw/zinc/98/09/79/554980979.db2.gz NLOQYSKQWFVOFI-YDJIHCHBSA-N -1 1 507.568 4.437 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)nc1C ZINC000102611011 554980949 /nfs/dbraw/zinc/98/09/49/554980949.db2.gz NLOQYSKQWFVOFI-NHFXJNLRSA-N -1 1 507.568 4.437 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2F)nc1C ZINC000102651287 554995897 /nfs/dbraw/zinc/99/58/97/554995897.db2.gz DJIDNDYSPPDLAS-YDJIHCHBSA-N -1 1 524.526 4.165 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2F)nc1C ZINC000102651288 554995936 /nfs/dbraw/zinc/99/59/36/554995936.db2.gz DJIDNDYSPPDLAS-NHFXJNLRSA-N -1 1 524.526 4.165 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000102651582 554996274 /nfs/dbraw/zinc/99/62/74/554996274.db2.gz MFVFEOMOJVVQPW-XKACAACRSA-N -1 1 508.527 4.327 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000102651586 554996257 /nfs/dbraw/zinc/99/62/57/554996257.db2.gz MFVFEOMOJVVQPW-UHABRVIFSA-N -1 1 508.527 4.327 50 30 KIEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102652366 554996492 /nfs/dbraw/zinc/99/64/92/554996492.db2.gz RXLMOFZUZUHXML-HOGKFDNTSA-N -1 1 550.589 4.424 50 30 KIEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102652368 554996536 /nfs/dbraw/zinc/99/65/36/554996536.db2.gz RXLMOFZUZUHXML-MOBKVPTQSA-N -1 1 550.589 4.424 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102652990 554997148 /nfs/dbraw/zinc/99/71/48/554997148.db2.gz UTXWMTCEEJOFEC-PMLJWHLSSA-N -1 1 562.600 4.365 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102652993 554997164 /nfs/dbraw/zinc/99/71/64/554997164.db2.gz UTXWMTCEEJOFEC-SJKYFALESA-N -1 1 562.600 4.365 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000102697575 555011901 /nfs/dbraw/zinc/01/19/01/555011901.db2.gz WZKVISVWKKWBJU-NHFXJNLRSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000102697575 555011898 /nfs/dbraw/zinc/01/18/98/555011898.db2.gz WZKVISVWKKWBJU-NHFXJNLRSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000102697582 555011886 /nfs/dbraw/zinc/01/18/86/555011886.db2.gz 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/nfs/dbraw/zinc/01/78/61/555017861.db2.gz HUVYUYQRGBWRHN-NHFXJNLRSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000102713866 555018064 /nfs/dbraw/zinc/01/80/64/555018064.db2.gz HUVYUYQRGBWRHN-YDJIHCHBSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000102713866 555018063 /nfs/dbraw/zinc/01/80/63/555018063.db2.gz HUVYUYQRGBWRHN-YDJIHCHBSA-N -1 1 538.578 4.199 50 30 KIEAMM COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000102717026 555019001 /nfs/dbraw/zinc/01/90/01/555019001.db2.gz ZCJRIYOXGBKOAT-ZHHPLPSFSA-N -1 1 508.527 4.422 50 30 KIEAMM COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000102717029 555018985 /nfs/dbraw/zinc/01/89/85/555018985.db2.gz ZCJRIYOXGBKOAT-AYWGPLOBSA-N -1 1 508.527 4.422 50 30 KIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102719113 555019763 /nfs/dbraw/zinc/01/97/63/555019763.db2.gz GGVFGRISQZJXEU-JBCNATCCSA-N -1 1 538.578 4.280 50 30 KIEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102719117 555019722 /nfs/dbraw/zinc/01/97/22/555019722.db2.gz GGVFGRISQZJXEU-MRJHHRETSA-N -1 1 538.578 4.280 50 30 KIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102722024 555020474 /nfs/dbraw/zinc/02/04/74/555020474.db2.gz NPMSPRONZFNAHM-AYWGPLOBSA-N -1 1 508.527 4.424 50 30 KIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102722031 555020461 /nfs/dbraw/zinc/02/04/61/555020461.db2.gz NPMSPRONZFNAHM-ZHHPLPSFSA-N -1 1 508.527 4.424 50 30 KIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102729083 555023001 /nfs/dbraw/zinc/02/30/01/555023001.db2.gz XORHHSXWUOQGCQ-YDJIHCHBSA-N -1 1 508.552 4.272 50 30 KIEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102729086 555023073 /nfs/dbraw/zinc/02/30/73/555023073.db2.gz XORHHSXWUOQGCQ-NHFXJNLRSA-N -1 1 508.552 4.272 50 30 KIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(O)c2)cc1 ZINC000102858149 555089182 /nfs/dbraw/zinc/08/91/82/555089182.db2.gz MDMBAKKAGDQQDR-NHFXJNLRSA-N -1 1 508.552 4.359 50 30 KIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(O)c2)cc1 ZINC000102858154 555089146 /nfs/dbraw/zinc/08/91/46/555089146.db2.gz MDMBAKKAGDQQDR-YDJIHCHBSA-N -1 1 508.552 4.359 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102862962 555092983 /nfs/dbraw/zinc/09/29/83/555092983.db2.gz LIVDWHAZTTYZNL-YDJIHCHBSA-N -1 1 508.552 4.272 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102862963 555092947 /nfs/dbraw/zinc/09/29/47/555092947.db2.gz LIVDWHAZTTYZNL-NHFXJNLRSA-N -1 1 508.552 4.272 50 30 KIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102865163 555094820 /nfs/dbraw/zinc/09/48/20/555094820.db2.gz RFVIDBFYTGHJGZ-YDJIHCHBSA-N -1 1 508.552 4.272 50 30 KIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102865165 555094856 /nfs/dbraw/zinc/09/48/56/555094856.db2.gz RFVIDBFYTGHJGZ-NHFXJNLRSA-N -1 1 508.552 4.272 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2OC)nc1C ZINC000102865260 555094876 /nfs/dbraw/zinc/09/48/76/555094876.db2.gz MCKLEXFOAGXNKA-YDJIHCHBSA-N -1 1 508.552 4.272 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)nc1C ZINC000102865262 555094958 /nfs/dbraw/zinc/09/49/58/555094958.db2.gz MCKLEXFOAGXNKA-NHFXJNLRSA-N -1 1 508.552 4.272 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102866821 555096094 /nfs/dbraw/zinc/09/60/94/555096094.db2.gz KEVWEQAOESWGPN-LFVOPCPISA-N -1 1 526.954 4.289 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102866825 555096051 /nfs/dbraw/zinc/09/60/51/555096051.db2.gz KEVWEQAOESWGPN-WOOAAIBNSA-N -1 1 526.954 4.289 50 30 KIEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102868041 555097539 /nfs/dbraw/zinc/09/75/39/555097539.db2.gz VRFHCAARFKMUIB-JBCNATCCSA-N -1 1 536.562 4.034 50 30 KIEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102868045 555097677 /nfs/dbraw/zinc/09/76/77/555097677.db2.gz VRFHCAARFKMUIB-MRJHHRETSA-N -1 1 536.562 4.034 50 30 KIEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102868730 555098261 /nfs/dbraw/zinc/09/82/61/555098261.db2.gz LEAWRFSQHSPZTJ-SBXHHDGASA-N -1 1 558.568 4.489 50 30 KIEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102868732 555098271 /nfs/dbraw/zinc/09/82/71/555098271.db2.gz LEAWRFSQHSPZTJ-NXLSWJSLSA-N -1 1 558.568 4.489 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102871905 555102624 /nfs/dbraw/zinc/10/26/24/555102624.db2.gz BJYTVSJEUFYFSQ-JBCNATCCSA-N -1 1 536.562 4.034 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102871909 555102682 /nfs/dbraw/zinc/10/26/82/555102682.db2.gz BJYTVSJEUFYFSQ-MRJHHRETSA-N -1 1 536.562 4.034 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102872380 555102944 /nfs/dbraw/zinc/10/29/44/555102944.db2.gz YGWXNVZLIADEQM-WOOAAIBNSA-N -1 1 523.523 4.090 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102872383 555102916 /nfs/dbraw/zinc/10/29/16/555102916.db2.gz YGWXNVZLIADEQM-LFVOPCPISA-N -1 1 523.523 4.090 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102874200 555104362 /nfs/dbraw/zinc/10/43/62/555104362.db2.gz LXITXUKWXPJCRI-YDJIHCHBSA-N -1 1 508.552 4.359 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102874202 555104341 /nfs/dbraw/zinc/10/43/41/555104341.db2.gz LXITXUKWXPJCRI-NHFXJNLRSA-N -1 1 508.552 4.359 50 30 KIEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102879849 555109021 /nfs/dbraw/zinc/10/90/21/555109021.db2.gz ZJCUOBRBOLCZMR-UGUGFTGJSA-N -1 1 502.479 4.406 50 30 KIEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102879849 555109019 /nfs/dbraw/zinc/10/90/19/555109019.db2.gz ZJCUOBRBOLCZMR-UGUGFTGJSA-N -1 1 502.479 4.406 50 30 KIEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102879851 555108991 /nfs/dbraw/zinc/10/89/91/555108991.db2.gz ZJCUOBRBOLCZMR-FEYWKWKCSA-N -1 1 502.479 4.406 50 30 KIEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102879851 555108989 /nfs/dbraw/zinc/10/89/89/555108989.db2.gz ZJCUOBRBOLCZMR-FEYWKWKCSA-N -1 1 502.479 4.406 50 30 KIEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H]1c1ccc(F)cc1 ZINC000102881051 555109547 /nfs/dbraw/zinc/10/95/47/555109547.db2.gz MSVSKWIWDAXULI-NHFXJNLRSA-N -1 1 555.521 4.243 50 30 KIEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1ccc(F)cc1 ZINC000102881055 555109935 /nfs/dbraw/zinc/10/99/35/555109935.db2.gz MSVSKWIWDAXULI-YDJIHCHBSA-N -1 1 555.521 4.243 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000102881131 555109810 /nfs/dbraw/zinc/10/98/10/555109810.db2.gz VALSNQBYWFCEQY-NHFXJNLRSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000102881131 555109807 /nfs/dbraw/zinc/10/98/07/555109807.db2.gz VALSNQBYWFCEQY-NHFXJNLRSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000102881134 555109906 /nfs/dbraw/zinc/10/99/06/555109906.db2.gz VALSNQBYWFCEQY-YDJIHCHBSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000102881134 555109904 /nfs/dbraw/zinc/10/99/04/555109904.db2.gz VALSNQBYWFCEQY-YDJIHCHBSA-N -1 1 508.552 4.190 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102881972 555110423 /nfs/dbraw/zinc/11/04/23/555110423.db2.gz XPJNNJMRQLKXRW-YDJIHCHBSA-N -1 1 508.552 4.272 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102881976 555110447 /nfs/dbraw/zinc/11/04/47/555110447.db2.gz XPJNNJMRQLKXRW-NHFXJNLRSA-N -1 1 508.552 4.272 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102883050 555111324 /nfs/dbraw/zinc/11/13/24/555111324.db2.gz QSEXEGXKTHRLPR-NHFXJNLRSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102883050 555111322 /nfs/dbraw/zinc/11/13/22/555111322.db2.gz QSEXEGXKTHRLPR-NHFXJNLRSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102883053 555111315 /nfs/dbraw/zinc/11/13/15/555111315.db2.gz QSEXEGXKTHRLPR-YDJIHCHBSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102883053 555111313 /nfs/dbraw/zinc/11/13/13/555111313.db2.gz QSEXEGXKTHRLPR-YDJIHCHBSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(O)cc2)nc1C ZINC000102883535 555111945 /nfs/dbraw/zinc/11/19/45/555111945.db2.gz BPTFQBUYCFLBLN-YDJIHCHBSA-N -1 1 508.552 4.357 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000102883537 555112092 /nfs/dbraw/zinc/11/20/92/555112092.db2.gz BPTFQBUYCFLBLN-NHFXJNLRSA-N -1 1 508.552 4.357 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2cccnc2)nc1C ZINC000102884965 555114854 /nfs/dbraw/zinc/11/48/54/555114854.db2.gz BXSVJSUSWJZIQS-YDJIHCHBSA-N -1 1 507.568 4.294 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC(C)C)cc3)[C@@H]2c2cccnc2)nc1C ZINC000102884967 555114927 /nfs/dbraw/zinc/11/49/27/555114927.db2.gz BXSVJSUSWJZIQS-NHFXJNLRSA-N -1 1 507.568 4.294 50 30 KIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccnc2)cc1 ZINC000102886334 555116687 /nfs/dbraw/zinc/11/66/87/555116687.db2.gz XLKWZAIXNXQYFN-NHFXJNLRSA-N -1 1 507.568 4.438 50 30 KIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccnc2)cc1 ZINC000102886336 555116664 /nfs/dbraw/zinc/11/66/64/555116664.db2.gz XLKWZAIXNXQYFN-YDJIHCHBSA-N -1 1 507.568 4.438 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102886528 555116985 /nfs/dbraw/zinc/11/69/85/555116985.db2.gz ODWIXSKISJGWPU-HJFSGKHBSA-N -1 1 520.563 4.196 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102886528 555116984 /nfs/dbraw/zinc/11/69/84/555116984.db2.gz ODWIXSKISJGWPU-HJFSGKHBSA-N -1 1 520.563 4.196 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102886529 555117041 /nfs/dbraw/zinc/11/70/41/555117041.db2.gz ODWIXSKISJGWPU-RQBWANKVSA-N -1 1 520.563 4.196 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102886529 555117040 /nfs/dbraw/zinc/11/70/40/555117040.db2.gz ODWIXSKISJGWPU-RQBWANKVSA-N -1 1 520.563 4.196 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102886530 555116991 /nfs/dbraw/zinc/11/69/91/555116991.db2.gz ODWIXSKISJGWPU-IWUDECAASA-N -1 1 520.563 4.196 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102886530 555116989 /nfs/dbraw/zinc/11/69/89/555116989.db2.gz ODWIXSKISJGWPU-IWUDECAASA-N -1 1 520.563 4.196 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102886532 555116936 /nfs/dbraw/zinc/11/69/36/555116936.db2.gz ODWIXSKISJGWPU-CGOGNACUSA-N -1 1 520.563 4.196 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102886532 555116935 /nfs/dbraw/zinc/11/69/35/555116935.db2.gz ODWIXSKISJGWPU-CGOGNACUSA-N -1 1 520.563 4.196 50 30 KIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccnc3)sc2c1 ZINC000102891009 555126500 /nfs/dbraw/zinc/12/65/00/555126500.db2.gz OYKMJPCHXVXYEX-HOGKFDNTSA-N -1 1 501.520 4.097 50 30 KIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccnc3)sc2c1 ZINC000102891012 555126523 /nfs/dbraw/zinc/12/65/23/555126523.db2.gz OYKMJPCHXVXYEX-MOBKVPTQSA-N -1 1 501.520 4.097 50 30 KIEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccnc3)sc2c1 ZINC000102891439 555127202 /nfs/dbraw/zinc/12/72/02/555127202.db2.gz NIHMSFRTXGHCSV-ZHHPLPSFSA-N -1 1 515.547 4.488 50 30 KIEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccnc3)sc2c1 ZINC000102891443 555127108 /nfs/dbraw/zinc/12/71/08/555127108.db2.gz NIHMSFRTXGHCSV-AYWGPLOBSA-N -1 1 515.547 4.488 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000102892688 555129013 /nfs/dbraw/zinc/12/90/13/555129013.db2.gz GCAMBLUGXOOQOS-JBCNATCCSA-N -1 1 514.918 4.297 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000102892691 555129079 /nfs/dbraw/zinc/12/90/79/555129079.db2.gz GCAMBLUGXOOQOS-MRJHHRETSA-N -1 1 514.918 4.297 50 30 KIEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000102894961 555133407 /nfs/dbraw/zinc/13/34/07/555133407.db2.gz KDQAZTACHMYNLI-JDDIYYEHSA-N -1 1 532.574 4.390 50 30 KIEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000102894962 555133473 /nfs/dbraw/zinc/13/34/73/555133473.db2.gz KDQAZTACHMYNLI-YFFBQLFZSA-N -1 1 532.574 4.390 50 30 KIEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000102894966 555133531 /nfs/dbraw/zinc/13/35/31/555133531.db2.gz KDQAZTACHMYNLI-WKHTWXOLSA-N -1 1 532.574 4.390 50 30 KIEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000102894969 555133523 /nfs/dbraw/zinc/13/35/23/555133523.db2.gz KDQAZTACHMYNLI-LHRXRZTBSA-N -1 1 532.574 4.390 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000102895942 555135505 /nfs/dbraw/zinc/13/55/05/555135505.db2.gz YAXRBMXJEWJEIJ-LFVOPCPISA-N -1 1 617.430 4.112 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000102895944 555135477 /nfs/dbraw/zinc/13/54/77/555135477.db2.gz YAXRBMXJEWJEIJ-WOOAAIBNSA-N -1 1 617.430 4.112 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000102896477 555136631 /nfs/dbraw/zinc/13/66/31/555136631.db2.gz KBGOOCBTSRIQHG-HOGKFDNTSA-N -1 1 550.589 4.424 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000102896479 555136518 /nfs/dbraw/zinc/13/65/18/555136518.db2.gz KBGOOCBTSRIQHG-MOBKVPTQSA-N -1 1 550.589 4.424 50 30 KIEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccnc2)cc1 ZINC000102897530 555137879 /nfs/dbraw/zinc/13/78/79/555137879.db2.gz AOKLAPHTNLBCGV-NHFXJNLRSA-N -1 1 507.568 4.438 50 30 KIEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccnc2)cc1 ZINC000102897531 555137901 /nfs/dbraw/zinc/13/79/01/555137901.db2.gz AOKLAPHTNLBCGV-YDJIHCHBSA-N -1 1 507.568 4.438 50 30 KIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(O)cc2)cc1 ZINC000102925563 555149951 /nfs/dbraw/zinc/14/99/51/555149951.db2.gz ICWACLGKEZRXEF-NHFXJNLRSA-N -1 1 508.552 4.359 50 30 KIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102925566 555149887 /nfs/dbraw/zinc/14/98/87/555149887.db2.gz ICWACLGKEZRXEF-YDJIHCHBSA-N -1 1 508.552 4.359 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102928933 555154834 /nfs/dbraw/zinc/15/48/34/555154834.db2.gz QBQDEOCNGKKBKU-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102928933 555154832 /nfs/dbraw/zinc/15/48/32/555154832.db2.gz QBQDEOCNGKKBKU-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102928934 555154710 /nfs/dbraw/zinc/15/47/10/555154710.db2.gz QBQDEOCNGKKBKU-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102928934 555154707 /nfs/dbraw/zinc/15/47/07/555154707.db2.gz QBQDEOCNGKKBKU-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102929676 555155500 /nfs/dbraw/zinc/15/55/00/555155500.db2.gz VTSBNODQVYOFDI-YDJIHCHBSA-N -1 1 517.332 4.424 50 30 KIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102929677 555155555 /nfs/dbraw/zinc/15/55/55/555155555.db2.gz VTSBNODQVYOFDI-NHFXJNLRSA-N -1 1 517.332 4.424 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102930006 555156121 /nfs/dbraw/zinc/15/61/21/555156121.db2.gz YDQDRGZWNNVUPE-NPJIAGGLSA-N -1 1 502.523 4.297 50 30 KIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102930009 555156483 /nfs/dbraw/zinc/15/64/83/555156483.db2.gz YDQDRGZWNNVUPE-IUKMQXEJSA-N -1 1 502.523 4.297 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OC)nc1C ZINC000102931529 555159139 /nfs/dbraw/zinc/15/91/39/555159139.db2.gz PEEOIZKEBTWFOR-NHFXJNLRSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OC)nc1C ZINC000102931529 555159134 /nfs/dbraw/zinc/15/91/34/555159134.db2.gz PEEOIZKEBTWFOR-NHFXJNLRSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OC)nc1C ZINC000102931534 555159125 /nfs/dbraw/zinc/15/91/25/555159125.db2.gz PEEOIZKEBTWFOR-YDJIHCHBSA-N -1 1 508.552 4.190 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OC)nc1C ZINC000102931534 555159122 /nfs/dbraw/zinc/15/91/22/555159122.db2.gz PEEOIZKEBTWFOR-YDJIHCHBSA-N -1 1 508.552 4.190 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102932352 555159997 /nfs/dbraw/zinc/15/99/97/555159997.db2.gz FALQKKGZOQABED-LFVOPCPISA-N -1 1 507.524 4.471 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102932355 555160010 /nfs/dbraw/zinc/16/00/10/555160010.db2.gz FALQKKGZOQABED-WOOAAIBNSA-N -1 1 507.524 4.471 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000102933448 555160527 /nfs/dbraw/zinc/16/05/27/555160527.db2.gz VITMCOQFVXCCJZ-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)cc2OC)nc1C ZINC000102933448 555160523 /nfs/dbraw/zinc/16/05/23/555160523.db2.gz VITMCOQFVXCCJZ-MRJHHRETSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000102933450 555160536 /nfs/dbraw/zinc/16/05/36/555160536.db2.gz VITMCOQFVXCCJZ-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(OC)cc2OC)nc1C ZINC000102933450 555160534 /nfs/dbraw/zinc/16/05/34/555160534.db2.gz VITMCOQFVXCCJZ-JBCNATCCSA-N -1 1 538.578 4.199 50 30 KIEAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCC4)c2)cc1 ZINC000103114610 555287341 /nfs/dbraw/zinc/28/73/41/555287341.db2.gz SNWDYRZMTSVKRP-UHFFFAOYSA-N -1 1 525.608 4.103 50 30 KIEAMM CCCCCCCCCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc(=O)[nH]2)CC1 ZINC000103307854 555356711 /nfs/dbraw/zinc/35/67/11/555356711.db2.gz IONLQYUWGOVJQY-UHFFFAOYSA-N -1 1 522.738 4.190 50 30 KIEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000103854569 571365924 /nfs/dbraw/zinc/36/59/24/571365924.db2.gz GDLIQRHKXWVVBO-ZHHPLPSFSA-N -1 1 502.479 4.406 50 30 KIEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000103854569 571365922 /nfs/dbraw/zinc/36/59/22/571365922.db2.gz GDLIQRHKXWVVBO-ZHHPLPSFSA-N -1 1 502.479 4.406 50 30 KIEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000103854574 571365898 /nfs/dbraw/zinc/36/58/98/571365898.db2.gz GDLIQRHKXWVVBO-AYWGPLOBSA-N -1 1 502.479 4.406 50 30 KIEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000103854574 571365897 /nfs/dbraw/zinc/36/58/97/571365897.db2.gz GDLIQRHKXWVVBO-AYWGPLOBSA-N -1 1 502.479 4.406 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000103928985 571370127 /nfs/dbraw/zinc/37/01/27/571370127.db2.gz YPAYHLOYDPTCIU-YDJIHCHBSA-N -1 1 537.550 4.480 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000103928990 571370206 /nfs/dbraw/zinc/37/02/06/571370206.db2.gz YPAYHLOYDPTCIU-NHFXJNLRSA-N -1 1 537.550 4.480 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000103929028 571370121 /nfs/dbraw/zinc/37/01/21/571370121.db2.gz BLJHXRRPGTYXPS-YDJIHCHBSA-N -1 1 537.550 4.480 50 30 KIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000103929032 571370089 /nfs/dbraw/zinc/37/00/89/571370089.db2.gz BLJHXRRPGTYXPS-NHFXJNLRSA-N -1 1 537.550 4.480 50 30 KIEAMM Cc1cc2c(c(O)c1-c1c(C)cc3c(c1[O-])C(=CNc1c[nH]c(=O)[nH]c1=O)C(=O)C(=O)C3C(C)C)C(=CNc1c[nH]c(=O)[nH]c1=O)C(=O)C(O)=C2C(C)C ZINC000160791242 571530763 /nfs/dbraw/zinc/53/07/63/571530763.db2.gz VQQJYRZKJCOSJQ-QJUDHZBZSA-N -1 1 736.738 4.056 50 30 KIEAMM O=C(C=C([O-])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-])c1cccc(NC2=CC(=O)C(=O)c3ccccc32)c1 ZINC000198711806 571568706 /nfs/dbraw/zinc/56/87/06/571568706.db2.gz IDYPDIKVHMPYEJ-UHFFFAOYSA-N -1 1 562.332 4.356 50 30 KIEAMM COC(=O)CC(C1=Cc2ccccc2OC1)=C1C(=O)C(=O)C([C@H](CC(=O)OC)C2=Cc3ccccc3OC2)=C([O-])C1O ZINC000217984949 571603060 /nfs/dbraw/zinc/60/30/60/571603060.db2.gz XGZUBRNVIGRANL-SZPZYZBQSA-N -1 1 572.566 4.073 50 30 KIEAMM C=CCSc1nc(N)c(C(c2ccc(OCc3ccccc3)cc2)c2c(N)nc(SCC=C)[nH]c2=O)c(=O)[n-]1 ZINC000221273755 571604205 /nfs/dbraw/zinc/60/42/05/571604205.db2.gz ZURVCVNZTNPTCJ-UHFFFAOYSA-N -1 1 560.705 4.333 50 30 KIEAMM Cc1cc2c(c(O)c1-c1c(C)cc3c(c1[O-])C(=CNc1c[nH]c(=O)[nH]c1=O)C(=O)C(=O)C3C(C)C)C(=CNc1c[nH]c(=O)[nH]c1=O)C(=O)C(O)=C2C(C)C ZINC000230223279 572185894 /nfs/dbraw/zinc/18/58/94/572185894.db2.gz VQQJYRZKJCOSJQ-KFSYKRRRSA-N -1 1 736.738 4.056 50 30 KIEAMM Cc1cc2c(c(O)c1-c1c(C)cc3c(c1[O-])C(=CNc1c[nH]c(=O)[nH]c1=O)C(=O)C(=O)C3C(C)C)C(=CNc1c[nH]c(=O)[nH]c1=O)C(=O)C(O)=C2C(C)C ZINC000230223283 572185936 /nfs/dbraw/zinc/18/59/36/572185936.db2.gz VQQJYRZKJCOSJQ-LQGKIZFRSA-N -1 1 736.738 4.056 50 30 KIEAMM Cc1cc(C)n(-c2nc(=NN=Cc3cc(Br)cc([N+](=O)[O-])c3[O-])nc(Nc3ccccc3)[nH]2)n1 ZINC000252598266 572267176 /nfs/dbraw/zinc/26/71/76/572267176.db2.gz CZCVGKBZRBSLAL-UHFFFAOYSA-N -1 1 524.339 4.240 50 30 KIEAMM Oc1c(I)cc(I)cc1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCCCC2)n1 ZINC000252600757 572267363 /nfs/dbraw/zinc/26/73/63/572267363.db2.gz DUKLZIUNXVEDPI-UHFFFAOYSA-N -1 1 633.276 4.213 50 30 KIEAMM CN(C)c1nc(=NN=Cc2cc(Br)c([O-])c(Br)c2O)nc(Nc2ccc(F)cc2)[nH]1 ZINC000252611741 572268286 /nfs/dbraw/zinc/26/82/86/572268286.db2.gz IMPPWUONJDONQO-UHFFFAOYSA-N -1 1 541.179 4.203 50 30 KIEAMM O=[N+]([O-])c1ccc(Nc2nc(=NN=Cc3cc(Br)cc(Br)c3[O-])nc(N3CCOCC3)[nH]2)cc1 ZINC000252625597 572270451 /nfs/dbraw/zinc/27/04/51/572270451.db2.gz QNKMMHJJJAASML-UHFFFAOYSA-N -1 1 594.224 4.037 50 30 KIEAMM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H](Cc3ccccc3)c3n[nH]c(C(C)C)n3)C1=O)O2 ZINC000263585942 572121073 /nfs/dbraw/zinc/12/10/73/572121073.db2.gz OBVATQGTDGLPOL-QNIYHEJRSA-N -1 1 556.619 4.384 50 30 KIEAMM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H](Cc3ccccc3)c3n[nH]c(C(C)C)n3)C1=O)O2 ZINC000263585943 572121006 /nfs/dbraw/zinc/12/10/06/572121006.db2.gz OBVATQGTDGLPOL-RDCVOKFPSA-N -1 1 556.619 4.384 50 30 KIEAMM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc3nc(CCC(=O)[O-])[nH]c3c2)C[C@H]1C ZINC000524729229 1064279420 /nfs/dbraw/zinc/27/94/20/1064279420.db2.gz KLEOYHSXICPQFD-RYZVSIALSA-N -1 1 525.945 4.170 50 30 KIEAMM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccc([O-])c(Cl)c1 ZINC000524732104 1064282733 /nfs/dbraw/zinc/28/27/33/1064282733.db2.gz XKCGJPXCGOFGEV-JBBSYBRQSA-N -1 1 518.349 4.197 50 30 KIEAMM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc([O-])c(Cl)c1 ZINC000524732105 1064283511 /nfs/dbraw/zinc/28/35/11/1064283511.db2.gz XKCGJPXCGOFGEV-PVMIVPEOSA-N -1 1 518.349 4.197 50 30 KIEAMM