smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102483732 130136840 /nfs/dbraw/zinc/13/68/40/130136840.db2.gz MNZLJBHGKPPVHX-LFVOPCPISA-N -1 1 470.934 4.754 50 30 JJEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000102485088 130139552 /nfs/dbraw/zinc/13/95/52/130139552.db2.gz YKOIZSPWWGHOSV-LFVOPCPISA-N -1 1 468.506 4.543 50 30 JJEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000102485088 130139554 /nfs/dbraw/zinc/13/95/54/130139554.db2.gz YKOIZSPWWGHOSV-LFVOPCPISA-N -1 1 468.506 4.543 50 30 JJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000102486155 130140282 /nfs/dbraw/zinc/14/02/82/130140282.db2.gz RWPXSUZSKJTTBX-MRJHHRETSA-N -1 1 464.543 4.712 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000102498072 130152108 /nfs/dbraw/zinc/15/21/08/130152108.db2.gz GCUQEGUHLNWJFE-LFVOPCPISA-N -1 1 450.447 4.663 50 30 JJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000102503714 130157839 /nfs/dbraw/zinc/15/78/39/130157839.db2.gz GILJZLULQVBKND-JBCNATCCSA-N -1 1 494.569 4.720 50 30 JJEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccnc3)nc2c(C)c1 ZINC000102653891 130233243 /nfs/dbraw/zinc/23/32/43/130233243.db2.gz QUHXDPHFRMYLDR-BUANBSPESA-N -1 1 499.548 4.706 50 30 JJEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102662434 130234788 /nfs/dbraw/zinc/23/47/88/130234788.db2.gz WWYCQIHGVSPWJE-LNMXKIQISA-N -1 1 497.370 4.855 50 30 JJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000102676856 130235845 /nfs/dbraw/zinc/23/58/45/130235845.db2.gz NAFOZZBRUPLHKD-PMLJWHLSSA-N -1 1 475.570 4.920 50 30 JJEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102681987 130236862 /nfs/dbraw/zinc/23/68/62/130236862.db2.gz FFHIEUJJQVUSNH-QPAAHAPSSA-N -1 1 452.919 4.746 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000102726950 130271569 /nfs/dbraw/zinc/27/15/69/130271569.db2.gz ZRMPAYZTFFYZAR-AYWGPLOBSA-N -1 1 476.529 4.924 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102798432 130306482 /nfs/dbraw/zinc/30/64/82/130306482.db2.gz GGMJYHRCWMBMBX-SELCWUDQSA-N -1 1 482.945 4.908 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000102873908 130345742 /nfs/dbraw/zinc/34/57/42/130345742.db2.gz DGKIJJXDSSOQAK-NPJIAGGLSA-N -1 1 489.524 4.737 50 30 JJEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2F)cc1 ZINC000102876341 130348148 /nfs/dbraw/zinc/34/81/48/130348148.db2.gz CJGRYEZSWUMHFQ-NHFXJNLRSA-N -1 1 452.507 4.924 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2F)cc1 ZINC000102876341 130348150 /nfs/dbraw/zinc/34/81/50/130348150.db2.gz CJGRYEZSWUMHFQ-NHFXJNLRSA-N -1 1 452.507 4.924 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccs2)cc1 ZINC000102881882 130359518 /nfs/dbraw/zinc/35/95/18/130359518.db2.gz BKKSZKCUCYDCOC-SELCWUDQSA-N -1 1 498.582 4.715 50 30 JJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1ccco1 ZINC000102886084 130366977 /nfs/dbraw/zinc/36/69/77/130366977.db2.gz NBBZVQGQFCJBHI-HVESIFNPSA-N -1 1 483.502 4.782 50 30 JJEAMM CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102892891 130375290 /nfs/dbraw/zinc/37/52/90/130375290.db2.gz AYHZSZXMUZDMDY-IUKMQXEJSA-N -1 1 490.987 4.902 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000006144023 518979621 /nfs/dbraw/zinc/97/96/21/518979621.db2.gz OWICAQQSQXANNF-LJQANCHMSA-N -1 1 496.491 4.855 50 30 JJEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009243048 519048564 /nfs/dbraw/zinc/04/85/64/519048564.db2.gz RJGLNLRHLPIHNH-OAQYLSRUSA-N -1 1 476.554 4.995 50 30 JJEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009178767 520422341 /nfs/dbraw/zinc/42/23/41/520422341.db2.gz VISHGWUZCKHWAP-HXUWFJFHSA-N -1 1 492.553 4.810 50 30 JJEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009178767 520422349 /nfs/dbraw/zinc/42/23/49/520422349.db2.gz VISHGWUZCKHWAP-HXUWFJFHSA-N -1 1 492.553 4.810 50 30 JJEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009042853 520773881 /nfs/dbraw/zinc/77/38/81/520773881.db2.gz QDYRGDVQDRWARB-OAQYLSRUSA-N -1 1 464.543 4.956 50 30 JJEAMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccc(Br)c2)c(=O)o1 ZINC000003582205 520851423 /nfs/dbraw/zinc/85/14/23/520851423.db2.gz RITROXVASKGNNL-NEQMZLFVSA-N -1 1 477.314 4.530 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009458769 520880201 /nfs/dbraw/zinc/88/02/01/520880201.db2.gz NTWRUAVPGUUHGR-QHCPKHFHSA-N -1 1 474.469 4.785 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009271531 520883914 /nfs/dbraw/zinc/88/39/14/520883914.db2.gz DYNYZJVXPLCZKN-NRFANRHFSA-N -1 1 464.543 4.950 50 30 JJEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009360755 520896407 /nfs/dbraw/zinc/89/64/07/520896407.db2.gz NVAQNDSXLYTWLI-NRFANRHFSA-N -1 1 452.463 4.546 50 30 JJEAMM CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nnc(C(C)C)s2)cc1 ZINC000016742129 521237867 /nfs/dbraw/zinc/23/78/67/521237867.db2.gz MGUHXSGGBUEODS-QGZVFWFLSA-N -1 1 484.603 4.916 50 30 JJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009375194 521300271 /nfs/dbraw/zinc/30/02/71/521300271.db2.gz JYQWWPMWGVJCLJ-FQEVSTJZSA-N -1 1 491.481 4.979 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009110880 521482387 /nfs/dbraw/zinc/48/23/87/521482387.db2.gz NYVJZIKDSBHAEC-JOCHJYFZSA-N -1 1 472.453 4.554 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009110880 521482393 /nfs/dbraw/zinc/48/23/93/521482393.db2.gz NYVJZIKDSBHAEC-JOCHJYFZSA-N -1 1 472.453 4.554 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000009123721 521611580 /nfs/dbraw/zinc/61/15/80/521611580.db2.gz QYLSQMDUUFPBHR-MRXNPFEDSA-N -1 1 472.906 4.658 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)nc1C ZINC000009160683 522418698 /nfs/dbraw/zinc/41/86/98/522418698.db2.gz AHNIQECDAJRIDH-FQEVSTJZSA-N -1 1 492.553 4.808 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000009185625 522419179 /nfs/dbraw/zinc/41/91/79/522419179.db2.gz MQQFGGUHLGFZMX-SFHVURJKSA-N -1 1 482.945 4.983 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000009185626 522419959 /nfs/dbraw/zinc/41/99/59/522419959.db2.gz MQQFGGUHLGFZMX-GOSISDBHSA-N -1 1 482.945 4.983 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccs2)nc1C ZINC000016275872 522420103 /nfs/dbraw/zinc/42/01/03/522420103.db2.gz WDPBZXKEZRWQOW-KRWDZBQOSA-N -1 1 468.556 4.699 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccccc2)nc1C ZINC000009302087 522422760 /nfs/dbraw/zinc/42/27/60/522422760.db2.gz WQYLSTSZJDQBMX-GOSISDBHSA-N -1 1 498.944 4.683 50 30 JJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000009043066 522918559 /nfs/dbraw/zinc/91/85/59/522918559.db2.gz MZGNDRCLTHMWQS-OAQYLSRUSA-N -1 1 494.569 4.877 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000009043063 522954236 /nfs/dbraw/zinc/95/42/36/522954236.db2.gz MZGNDRCLTHMWQS-NRFANRHFSA-N -1 1 494.569 4.877 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009271294 522954812 /nfs/dbraw/zinc/95/48/12/522954812.db2.gz BKEANCAGURPNLO-FQEVSTJZSA-N -1 1 450.516 4.565 50 30 JJEAMM CCc1cc(C([O-])(C(F)(F)F)C(F)(F)F)c(O)c(C(O)(C(F)(F)F)C(F)(F)F)c1 ZINC000033355238 523781108 /nfs/dbraw/zinc/78/11/08/523781108.db2.gz WECMHMOIORSWKO-UHFFFAOYSA-N -1 1 454.207 4.579 50 30 JJEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009524342 524647810 /nfs/dbraw/zinc/64/78/10/524647810.db2.gz SJJVXFARUVRWSB-FQEVSTJZSA-N -1 1 458.587 4.966 50 30 JJEAMM COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009339649 525224648 /nfs/dbraw/zinc/22/46/48/525224648.db2.gz NQSPGYOTOKPYAE-LJQANCHMSA-N -1 1 450.447 4.820 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000009244165 526269095 /nfs/dbraw/zinc/26/90/95/526269095.db2.gz MNTITGQETRPERB-LJQANCHMSA-N -1 1 480.274 4.535 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009088980 526270158 /nfs/dbraw/zinc/27/01/58/526270158.db2.gz LVMJWFUWRWJSRU-FQEVSTJZSA-N -1 1 450.288 4.938 50 30 JJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(Cl)cc2)s1 ZINC000009540879 526354030 /nfs/dbraw/zinc/35/40/30/526354030.db2.gz MSCSBPIMAHXJBR-NSPYISDASA-N -1 1 467.934 4.606 50 30 JJEAMM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2F)c1 ZINC000009065517 526390603 /nfs/dbraw/zinc/39/06/03/526390603.db2.gz PJGQIYAJGYQEKK-YDJIHCHBSA-N -1 1 496.288 4.913 50 30 JJEAMM Cc1nc(-c2ccccc2)sc1-c1cc(=O)[n-]c(SCC(=O)Nc2cccc(C#N)c2)n1 ZINC000033170100 526601439 /nfs/dbraw/zinc/60/14/39/526601439.db2.gz ZAPHLRVVODFMIH-UHFFFAOYSA-N -1 1 459.556 4.884 50 30 JJEAMM N#Cc1ccc(OCc2nc3cc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)ccc3[nH]2)cc1 ZINC000006135104 526678387 /nfs/dbraw/zinc/67/83/87/526678387.db2.gz HHZWCWXZFQGVHG-UHFFFAOYSA-N -1 1 472.448 4.833 50 30 JJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009271340 526824944 /nfs/dbraw/zinc/82/49/44/526824944.db2.gz NLCRMVTWHROSSP-GOSISDBHSA-N -1 1 465.418 4.720 50 30 JJEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1cccnc1 ZINC000009424161 527571379 /nfs/dbraw/zinc/57/13/79/527571379.db2.gz RWQGMRKFRYWTLL-WHLCRQNOSA-N -1 1 485.515 4.986 50 30 JJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102925694 535442823 /nfs/dbraw/zinc/44/28/23/535442823.db2.gz HSIZTQNMGINMBY-MRJHHRETSA-N -1 1 476.510 4.923 50 30 JJEAMM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccnc2)c1 ZINC000000860886 553801685 /nfs/dbraw/zinc/80/16/85/553801685.db2.gz KXEGPJDLDQHHPJ-NRFANRHFSA-N -1 1 450.878 4.535 50 30 JJEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccnc2)c1 ZINC000000860886 553801689 /nfs/dbraw/zinc/80/16/89/553801689.db2.gz KXEGPJDLDQHHPJ-NRFANRHFSA-N -1 1 450.878 4.535 50 30 JJEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000000937290 553874708 /nfs/dbraw/zinc/87/47/08/553874708.db2.gz BEURPPRGFCZHQF-KPZWWZAWSA-N -1 1 453.564 4.590 50 30 JJEAMM CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000000937291 553874739 /nfs/dbraw/zinc/87/47/39/553874739.db2.gz BEURPPRGFCZHQF-XIKOKIGWSA-N -1 1 453.564 4.590 50 30 JJEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)c1 ZINC000001451147 553973775 /nfs/dbraw/zinc/97/37/75/553973775.db2.gz QTUHUHXIBKQTNN-IBGZPJMESA-N -1 1 469.291 4.537 50 30 JJEAMM O=C([N-]c1nnc(N=Cc2ccc(Br)s2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001883265 554000419 /nfs/dbraw/zinc/00/04/19/554000419.db2.gz NFCXNVQDHWBCHW-OMCISZLKSA-N -1 1 483.285 4.565 50 30 JJEAMM CCOc1cc(/C=N/n2cnnc2SCc2ccc(Cl)cc2)cc(Br)c1[O-] ZINC000001917916 554004497 /nfs/dbraw/zinc/00/44/97/554004497.db2.gz DJJSDGOXFYHEMX-LSFURLLWSA-N -1 1 467.776 4.973 50 30 JJEAMM COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(C)s4)[C@H]3c3ccc(F)cc3)oc21 ZINC000002620764 554245361 /nfs/dbraw/zinc/24/53/61/554245361.db2.gz MOYSEVHTCTWWDH-SFHVURJKSA-N -1 1 465.462 4.523 50 30 JJEAMM C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4)c3)sc2C1 ZINC000006292416 554527724 /nfs/dbraw/zinc/52/77/24/554527724.db2.gz YPQKSZMZVLCNNP-OAHLLOKOSA-N -1 1 451.573 4.798 50 30 JJEAMM C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4)c3)sc2C1 ZINC000006292417 554527770 /nfs/dbraw/zinc/52/77/70/554527770.db2.gz YPQKSZMZVLCNNP-HNNXBMFYSA-N -1 1 451.573 4.798 50 30 JJEAMM O=C1C(=O)N(c2nc3ccccc3s2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccccc1 ZINC000006460572 554542520 /nfs/dbraw/zinc/54/25/20/554542520.db2.gz DSCIWXWEFQRUTA-HXUWFJFHSA-N -1 1 457.467 4.987 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006460572 554542523 /nfs/dbraw/zinc/54/25/23/554542523.db2.gz DSCIWXWEFQRUTA-HXUWFJFHSA-N -1 1 457.467 4.987 50 30 JJEAMM 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CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000102732696 535417520 /nfs/dbraw/zinc/41/75/20/535417520.db2.gz ZDVRBWICCFNGOK-SBXHHDGASA-N -1 1 458.514 4.894 50 30 JJEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001155157 553918654 /nfs/dbraw/zinc/91/86/54/553918654.db2.gz HILUCKHGUUUCAX-JOCHJYFZSA-N -1 1 459.458 4.560 50 30 JJEAMM [O-]c1c(Br)cc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccccc1F ZINC000002427994 554203082 /nfs/dbraw/zinc/20/30/82/554203082.db2.gz NHHWBGMMLLELDK-FBCYGCLPSA-N -1 1 472.137 4.860 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2OC)nc1C ZINC000008433163 554586723 /nfs/dbraw/zinc/58/67/23/554586723.db2.gz ONESZNNZOALIDQ-FQEVSTJZSA-N -1 1 490.537 4.586 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)nc1C ZINC000008433163 554586724 /nfs/dbraw/zinc/58/67/24/554586724.db2.gz ONESZNNZOALIDQ-FQEVSTJZSA-N -1 1 490.537 4.586 50 30 JJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2F)s1 ZINC000008741080 554643579 /nfs/dbraw/zinc/64/35/79/554643579.db2.gz XLXZTDPHYBQFNK-LJQANCHMSA-N -1 1 453.495 4.556 50 30 JJEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008779105 554675960 /nfs/dbraw/zinc/67/59/60/554675960.db2.gz ABIMLWPPUGCCKL-IBGZPJMESA-N -1 1 465.487 4.621 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)nc1C ZINC000008779272 554676106 /nfs/dbraw/zinc/67/61/06/554676106.db2.gz FWOQNYNKOMGVCI-KRWDZBQOSA-N -1 1 484.530 4.778 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)nc1C ZINC000008779273 554676141 /nfs/dbraw/zinc/67/61/41/554676141.db2.gz FODZHTQTKJBYNG-LJQANCHMSA-N -1 1 496.491 4.855 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2OC)nc1C ZINC000008779318 554676599 /nfs/dbraw/zinc/67/65/99/554676599.db2.gz IXWYIDJVJOPHGR-SFHVURJKSA-N -1 1 496.566 4.647 50 30 JJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000008817682 554700741 /nfs/dbraw/zinc/70/07/41/554700741.db2.gz BPRFZFMKBKJKNA-NRFANRHFSA-N -1 1 464.543 4.950 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000008818116 554701644 /nfs/dbraw/zinc/70/16/44/554701644.db2.gz RLBNBJUKPLCPIU-HXUWFJFHSA-N -1 1 450.516 4.647 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008838163 554739602 /nfs/dbraw/zinc/73/96/02/554739602.db2.gz SPRDRFGZGVNHGG-QFIPXVFZSA-N -1 1 493.537 4.725 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008838163 554739605 /nfs/dbraw/zinc/73/96/05/554739605.db2.gz SPRDRFGZGVNHGG-QFIPXVFZSA-N -1 1 493.537 4.725 50 30 JJEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000008845711 554743656 /nfs/dbraw/zinc/74/36/56/554743656.db2.gz RKQMRZCCVZLPRA-PEBXRYMYSA-N -1 1 491.569 4.742 50 30 JJEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008845711 554743658 /nfs/dbraw/zinc/74/36/58/554743658.db2.gz RKQMRZCCVZLPRA-PEBXRYMYSA-N -1 1 491.569 4.742 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008904615 554799096 /nfs/dbraw/zinc/79/90/96/554799096.db2.gz SPRDRFGZGVNHGG-JOCHJYFZSA-N -1 1 493.537 4.725 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008904615 554799098 /nfs/dbraw/zinc/79/90/98/554799098.db2.gz SPRDRFGZGVNHGG-JOCHJYFZSA-N -1 1 493.537 4.725 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009235954 555010129 /nfs/dbraw/zinc/01/01/29/555010129.db2.gz IXIAKJXIIISLGV-INIZCTEOSA-N -1 1 486.303 4.597 50 30 JJEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009463185 555232938 /nfs/dbraw/zinc/23/29/38/555232938.db2.gz VZLOJHSRTHCLJH-QHCPKHFHSA-N -1 1 478.501 4.659 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009463185 555232940 /nfs/dbraw/zinc/23/29/40/555232940.db2.gz VZLOJHSRTHCLJH-QHCPKHFHSA-N -1 1 478.501 4.659 50 30 JJEAMM N#Cc1c2c(sc1NC(=O)c1cccc([N-]S(=O)(=O)c3ccccc3)c1)CCCCC2 ZINC000009714746 555444671 /nfs/dbraw/zinc/44/46/71/555444671.db2.gz KSDDSYLAXDLTOH-UHFFFAOYSA-N -1 1 451.573 4.942 50 30 JJEAMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c2)cc1 ZINC000009714870 555445292 /nfs/dbraw/zinc/44/52/92/555445292.db2.gz BITJGEHAQBZXFH-UHFFFAOYSA-N -1 1 481.599 4.950 50 30 JJEAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)cc1 ZINC000009714998 555446129 /nfs/dbraw/zinc/44/61/29/555446129.db2.gz COUPRXLGFGLCFC-UHFFFAOYSA-N -1 1 481.599 4.950 50 30 JJEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000013550913 555491828 /nfs/dbraw/zinc/49/18/28/555491828.db2.gz GKKGNIJOIHWZAL-QHCPKHFHSA-N -1 1 478.501 4.572 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000013550913 555491829 /nfs/dbraw/zinc/49/18/29/555491829.db2.gz GKKGNIJOIHWZAL-QHCPKHFHSA-N -1 1 478.501 4.572 50 30 JJEAMM C=CCn1c(Cc2csc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)n2)n[n-]c1=S ZINC000023041824 556001444 /nfs/dbraw/zinc/00/14/44/556001444.db2.gz SFQFQHGZYSNRBY-UHFFFAOYSA-N -1 1 480.575 4.580 50 30 JJEAMM C=CCn1c(Cc2csc(NC(=O)c3occc3COc3ccccc3)n2)n[n-]c1=S ZINC000023099696 556008125 /nfs/dbraw/zinc/00/81/25/556008125.db2.gz DFHFBFHHSRRKTH-UHFFFAOYSA-N -1 1 453.549 4.598 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016729545 556155192 /nfs/dbraw/zinc/15/51/92/556155192.db2.gz KSSLRCAGWQPXLC-HXUWFJFHSA-N -1 1 462.527 4.754 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)nc1C ZINC000016944295 556182313 /nfs/dbraw/zinc/18/23/13/556182313.db2.gz FVOPKLRDHGJDOZ-GOSISDBHSA-N -1 1 466.490 4.550 50 30 JJEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc4c(c2)OCO4)C2=C(CCCC2=O)N3)cc1 ZINC000017041771 556208391 /nfs/dbraw/zinc/20/83/91/556208391.db2.gz ZSNGKQIYWMNEQU-NRFANRHFSA-N -1 1 473.554 4.664 50 30 JJEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1 ZINC000027022164 556271345 /nfs/dbraw/zinc/27/13/45/556271345.db2.gz NGHUHZDSXBBESQ-SFHVURJKSA-N -1 1 451.573 4.914 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000013118820 556331417 /nfs/dbraw/zinc/33/14/17/556331417.db2.gz JDBRXFJMLYAODI-IBGZPJMESA-N -1 1 480.274 4.535 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000013121652 556338639 /nfs/dbraw/zinc/33/86/39/556338639.db2.gz LSNFIRITVLJICT-IBGZPJMESA-N -1 1 453.267 4.766 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000008737831 569602152 /nfs/dbraw/zinc/60/21/52/569602152.db2.gz VAUAJTXLMOVJPA-INIZCTEOSA-N -1 1 472.906 4.576 50 30 JJEAMM C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1OC ZINC000086057543 569717419 /nfs/dbraw/zinc/71/74/19/569717419.db2.gz FKSDWQQUXKIWCV-KRWDZBQOSA-N -1 1 483.977 4.763 50 30 JJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000100446412 569761381 /nfs/dbraw/zinc/76/13/81/569761381.db2.gz GYNDHPGPYNWCCD-SELCWUDQSA-N -1 1 457.255 4.511 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000101072773 569781421 /nfs/dbraw/zinc/78/14/21/569781421.db2.gz KBJTZJRNXIZGIH-NHFXJNLRSA-N -1 1 479.286 4.984 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000101104137 569782996 /nfs/dbraw/zinc/78/29/96/569782996.db2.gz CCEOBMGOGHKCGQ-NHFXJNLRSA-N -1 1 479.286 4.984 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000101104153 569783002 /nfs/dbraw/zinc/78/30/02/569783002.db2.gz GWXSCKSQTDAIDJ-YDJIHCHBSA-N -1 1 479.286 4.984 50 30 JJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000101287422 569789516 /nfs/dbraw/zinc/78/95/16/569789516.db2.gz CMDQFSYWVHYUGS-JBCNATCCSA-N -1 1 450.878 4.828 50 30 JJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000101287843 569789726 /nfs/dbraw/zinc/78/97/26/569789726.db2.gz BCVZZFDJKNRUQJ-LFVOPCPISA-N -1 1 452.919 4.988 50 30 JJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313278 569791972 /nfs/dbraw/zinc/79/19/72/569791972.db2.gz RWDCZUUIMVDBLQ-MRJHHRETSA-N -1 1 495.329 4.937 50 30 JJEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000101313683 569792121 /nfs/dbraw/zinc/79/21/21/569792121.db2.gz QEDRSPWFUBFUGV-IUOUCKIRSA-N -1 1 474.538 4.658 50 30 JJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000102861156 569824936 /nfs/dbraw/zinc/82/49/36/569824936.db2.gz QOMIVLPPWNQVND-YDJIHCHBSA-N -1 1 498.532 4.551 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccc2)nc1C ZINC000102872852 569826042 /nfs/dbraw/zinc/82/60/42/569826042.db2.gz LBOYFCOBEHQTRH-GHNGSUTGSA-N -1 1 498.944 4.526 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102875665 569826426 /nfs/dbraw/zinc/82/64/26/569826426.db2.gz MGRKUQMZIJNQIN-GROYHEBESA-N -1 1 486.908 4.657 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2cccs2)nc1C ZINC000102929655 569827899 /nfs/dbraw/zinc/82/78/99/569827899.db2.gz FNUROPJWKVNGCJ-GHNGSUTGSA-N -1 1 498.582 4.715 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000103854545 569838635 /nfs/dbraw/zinc/83/86/35/569838635.db2.gz JYUWYXGQLDPIGI-ZHHPLPSFSA-N -1 1 475.472 4.637 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000103854545 569838637 /nfs/dbraw/zinc/83/86/37/569838637.db2.gz JYUWYXGQLDPIGI-ZHHPLPSFSA-N -1 1 475.472 4.637 50 30 JJEAMM 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O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000102520418 130173102 /nfs/dbraw/zinc/17/31/02/130173102.db2.gz IRVIYYCRWHHXDF-YDJIHCHBSA-N -1 1 490.325 4.655 50 30 JJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102528188 130180748 /nfs/dbraw/zinc/18/07/48/130180748.db2.gz UIAATNPLVBFMSV-GHNGSUTGSA-N -1 1 465.418 4.563 50 30 JJEAMM COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102535604 130190289 /nfs/dbraw/zinc/19/02/89/130190289.db2.gz USUXRFPBKJWFHY-NHFXJNLRSA-N -1 1 464.474 4.972 50 30 JJEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102627816 130227131 /nfs/dbraw/zinc/22/71/31/130227131.db2.gz FFHIEUJJQVUSNH-QJGVGSKSSA-N -1 1 452.919 4.746 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)nc1C ZINC000102714291 130260194 /nfs/dbraw/zinc/26/01/94/130260194.db2.gz XRINIQPKJHDQRI-LFVOPCPISA-N -1 1 496.541 4.635 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102718073 130264202 /nfs/dbraw/zinc/26/42/02/130264202.db2.gz LDGQIHSEXJRZSZ-YDJIHCHBSA-N -1 1 483.318 4.771 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102799261 130308154 /nfs/dbraw/zinc/30/81/54/130308154.db2.gz WWQKRXCBNKCITH-WOOAAIBNSA-N -1 1 462.527 4.563 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102799859 130309116 /nfs/dbraw/zinc/30/91/16/130309116.db2.gz DGCCWCWGRQOFAV-UYTDBDHRSA-N -1 1 472.906 4.501 50 30 JJEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000102864555 130336470 /nfs/dbraw/zinc/33/64/70/130336470.db2.gz LOFAGOLZFJZIQF-YDJIHCHBSA-N -1 1 468.506 4.543 50 30 JJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000102864555 130336473 /nfs/dbraw/zinc/33/64/73/130336473.db2.gz LOFAGOLZFJZIQF-YDJIHCHBSA-N -1 1 468.506 4.543 50 30 JJEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102872734 130344185 /nfs/dbraw/zinc/34/41/85/130344185.db2.gz KMIBMEKGSVBNQQ-MRJHHRETSA-N -1 1 488.496 4.848 50 30 JJEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 ZINC000102878020 130351774 /nfs/dbraw/zinc/35/17/74/130351774.db2.gz KVDVWMFSYAVAIZ-NHFXJNLRSA-N -1 1 490.325 4.655 50 30 JJEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102879351 130353998 /nfs/dbraw/zinc/35/39/98/130353998.db2.gz YDNZNBQZYGPBLQ-NHFXJNLRSA-N -1 1 468.506 4.543 50 30 JJEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102879112 130354202 /nfs/dbraw/zinc/35/42/02/130354202.db2.gz DBQNALWELZAHMI-LFVOPCPISA-N -1 1 451.523 4.909 50 30 JJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102879112 130354206 /nfs/dbraw/zinc/35/42/06/130354206.db2.gz DBQNALWELZAHMI-LFVOPCPISA-N -1 1 451.523 4.909 50 30 JJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000102888691 130369670 /nfs/dbraw/zinc/36/96/70/130369670.db2.gz VXMSXMNGIGANKT-WOOAAIBNSA-N -1 1 453.292 4.680 50 30 JJEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000009187564 518496451 /nfs/dbraw/zinc/49/64/51/518496451.db2.gz VHXBVEWQFZZYGZ-XUSGNXJCSA-N -1 1 492.528 4.900 50 30 JJEAMM C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)c1ccc([O-])cc1O ZINC000009643219 519153977 /nfs/dbraw/zinc/15/39/77/519153977.db2.gz YXPKGWSHRLVPRK-UHFFFAOYSA-N -1 1 450.541 4.697 50 30 JJEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c1[C@H]2c1cccnc1 ZINC000012384455 520258111 /nfs/dbraw/zinc/25/81/11/520258111.db2.gz UTLJLQSPGIIHGQ-IBGZPJMESA-N -1 1 489.557 4.566 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000012487743 520331713 /nfs/dbraw/zinc/33/17/13/520331713.db2.gz QWCMPDSDUTVZMW-XMMPIXPASA-N -1 1 458.514 4.970 50 30 JJEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000009354302 520421264 /nfs/dbraw/zinc/42/12/64/520421264.db2.gz MBZYOWDUXWACJH-HSZRJFAPSA-N -1 1 478.501 4.572 50 30 JJEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000009354302 520421276 /nfs/dbraw/zinc/42/12/76/520421276.db2.gz MBZYOWDUXWACJH-HSZRJFAPSA-N -1 1 478.501 4.572 50 30 JJEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009507083 520421961 /nfs/dbraw/zinc/42/19/61/520421961.db2.gz XKFBJGBYHOUGTR-HSZRJFAPSA-N -1 1 462.502 4.872 50 30 JJEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000009508047 520467533 /nfs/dbraw/zinc/46/75/33/520467533.db2.gz KQIAPCUWVUBVIR-HSZRJFAPSA-N -1 1 478.501 4.572 50 30 JJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000009508047 520467541 /nfs/dbraw/zinc/46/75/41/520467541.db2.gz KQIAPCUWVUBVIR-HSZRJFAPSA-N -1 1 478.501 4.572 50 30 JJEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009235804 520784021 /nfs/dbraw/zinc/78/40/21/520784021.db2.gz CVOGHHDOBIADRR-FQEVSTJZSA-N -1 1 468.506 4.786 50 30 JJEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009235804 520784027 /nfs/dbraw/zinc/78/40/27/520784027.db2.gz CVOGHHDOBIADRR-FQEVSTJZSA-N -1 1 468.506 4.786 50 30 JJEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2F)cc1 ZINC000009472213 520862697 /nfs/dbraw/zinc/86/26/97/520862697.db2.gz VQKMKCYQQGFDIS-FQEVSTJZSA-N -1 1 467.522 4.947 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009312136 520880930 /nfs/dbraw/zinc/88/09/30/520880930.db2.gz QLVMRCJQYYYWDW-VWLOTQADSA-N -1 1 489.524 4.894 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009135492 520880984 /nfs/dbraw/zinc/88/09/84/520880984.db2.gz HCIXHNGKGKUQSK-JOCHJYFZSA-N -1 1 494.569 4.959 50 30 JJEAMM CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000016742289 521236524 /nfs/dbraw/zinc/23/65/24/521236524.db2.gz XBFPYKBKFNHCNE-HXUWFJFHSA-N -1 1 491.525 4.783 50 30 JJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009446361 521266666 /nfs/dbraw/zinc/26/66/66/521266666.db2.gz WNFKTAIYTPKXKF-NRFANRHFSA-N -1 1 468.893 4.827 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009087246 521482421 /nfs/dbraw/zinc/48/24/21/521482421.db2.gz XQDNMEHYSULMPG-XMMPIXPASA-N -1 1 487.508 4.663 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccccc2F)nc1C ZINC000009472278 521610521 /nfs/dbraw/zinc/61/05/21/521610521.db2.gz AKBMNNKUCBUPCQ-IBGZPJMESA-N -1 1 498.507 4.998 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(F)c2)nc1C ZINC000016730326 521611822 /nfs/dbraw/zinc/61/18/22/521611822.db2.gz TVONMDXWISWXMB-LJQANCHMSA-N -1 1 498.507 4.998 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009046160 521611931 /nfs/dbraw/zinc/61/19/31/521611931.db2.gz BNLFWPJGAUPAMH-IBGZPJMESA-N -1 1 496.516 4.559 50 30 JJEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000016742353 522167404 /nfs/dbraw/zinc/16/74/04/522167404.db2.gz NQEMKAZOMKQEJW-HXUWFJFHSA-N -1 1 474.494 4.767 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000009185676 522418376 /nfs/dbraw/zinc/41/83/76/522418376.db2.gz WEVGWETYUWHNQA-IBGZPJMESA-N -1 1 462.527 4.638 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000016805425 522420063 /nfs/dbraw/zinc/42/00/63/522420063.db2.gz AVWBTBOPFAQUPW-SFHVURJKSA-N -1 1 484.480 4.608 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000009353934 522423005 /nfs/dbraw/zinc/42/30/05/522423005.db2.gz XHTLOGDTYWYGQB-HNNXBMFYSA-N -1 1 474.947 4.736 50 30 JJEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(NC(C)=O)cc2)ccc1O ZINC000009272058 522918633 /nfs/dbraw/zinc/91/86/33/522918633.db2.gz SUGCQQWPTODOCJ-HSZRJFAPSA-N -1 1 492.915 4.796 50 30 JJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(NC(C)=O)cc2)ccc1O ZINC000009272058 522918643 /nfs/dbraw/zinc/91/86/43/522918643.db2.gz SUGCQQWPTODOCJ-HSZRJFAPSA-N -1 1 492.915 4.796 50 30 JJEAMM COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nccs2)cc(OC)c1OC ZINC000016736876 522920324 /nfs/dbraw/zinc/92/03/24/522920324.db2.gz PCJZNASYUMXRKK-HXUWFJFHSA-N -1 1 480.542 4.569 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000009308830 522956978 /nfs/dbraw/zinc/95/69/78/522956978.db2.gz KZUHMPKTRIJVOO-DEOSSOPVSA-N -1 1 486.480 4.947 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009380586 523565834 /nfs/dbraw/zinc/56/58/34/523565834.db2.gz MZZFWZIWTGRVBX-DEOSSOPVSA-N -1 1 475.497 4.504 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000009065345 523569391 /nfs/dbraw/zinc/56/93/91/523569391.db2.gz YUGHKNQUKOSREU-HXUWFJFHSA-N -1 1 480.542 4.569 50 30 JJEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000009373840 524107987 /nfs/dbraw/zinc/10/79/87/524107987.db2.gz VCBAAEAQXCWAGE-LJQANCHMSA-N -1 1 469.291 4.537 50 30 JJEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009124475 524977539 /nfs/dbraw/zinc/97/75/39/524977539.db2.gz QCEFUUISJZKOEB-HXPMCKFVSA-N -1 1 452.919 4.903 50 30 JJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000012468633 525050868 /nfs/dbraw/zinc/05/08/68/525050868.db2.gz BQCVCUNVKIFUCW-SFHVURJKSA-N -1 1 457.255 4.668 50 30 JJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)c(OC)c1 ZINC000009424298 525220806 /nfs/dbraw/zinc/22/08/06/525220806.db2.gz GIDHAMYLVCMRNP-GOSISDBHSA-N -1 1 456.907 4.597 50 30 JJEAMM 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O=C(c1ccco1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccco1 ZINC000102885787 130366923 /nfs/dbraw/zinc/36/69/23/130366923.db2.gz KHGQLSKSOYTCPG-HVESIFNPSA-N -1 1 465.512 4.643 50 30 JJEAMM C=CCN1C(=O)C(=Cc2c(OCc3ccccc3C#N)ccc3ccccc32)C(=O)[N-]C1=S ZINC000033334333 518829857 /nfs/dbraw/zinc/82/98/57/518829857.db2.gz PMVLPHKASCGXLO-HMAPJEAMSA-N -1 1 453.523 4.943 50 30 JJEAMM C=CCN1C(=O)/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)[N-]C1=S ZINC000015012820 518830166 /nfs/dbraw/zinc/83/01/66/518830166.db2.gz YMLXNDKUVNTIKD-JYRVWZFOSA-N -1 1 483.796 4.659 50 30 JJEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(OCCC)c(C)c3)cc2OCC(C)(C)C1=O ZINC000009167228 518875619 /nfs/dbraw/zinc/87/56/19/518875619.db2.gz FHYFGTHXUSCRBV-UHFFFAOYSA-N -1 1 458.580 4.522 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009235391 520330252 /nfs/dbraw/zinc/33/02/52/520330252.db2.gz WJVULUHYLQJFPA-JOCHJYFZSA-N -1 1 459.458 4.562 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009461031 520331443 /nfs/dbraw/zinc/33/14/43/520331443.db2.gz XCQAGHBFRXZWKF-QFIPXVFZSA-N -1 1 459.458 4.562 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009463371 520879632 /nfs/dbraw/zinc/87/96/32/520879632.db2.gz BBKTUKOIRDBSQT-DEOSSOPVSA-N -1 1 459.498 4.885 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009458767 520881716 /nfs/dbraw/zinc/88/17/16/520881716.db2.gz NTWRUAVPGUUHGR-HSZRJFAPSA-N -1 1 474.469 4.785 50 30 JJEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009464943 520894331 /nfs/dbraw/zinc/89/43/31/520894331.db2.gz IWFYAXSUTMLCNK-JOCHJYFZSA-N -1 1 466.490 4.855 50 30 JJEAMM CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000016736411 521265474 /nfs/dbraw/zinc/26/54/74/521265474.db2.gz QDGJLDAJIFGERH-NRFANRHFSA-N -1 1 491.525 4.783 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009359662 521481221 /nfs/dbraw/zinc/48/12/21/521481221.db2.gz AVRZABPOTXQSMB-HSZRJFAPSA-N -1 1 457.482 4.655 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009087247 521483036 /nfs/dbraw/zinc/48/30/36/521483036.db2.gz XQDNMEHYSULMPG-DEOSSOPVSA-N -1 1 487.508 4.663 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000009123722 521611918 /nfs/dbraw/zinc/61/19/18/521611918.db2.gz QYLSQMDUUFPBHR-INIZCTEOSA-N -1 1 472.906 4.658 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)nc1C ZINC000016733635 522421097 /nfs/dbraw/zinc/42/10/97/522421097.db2.gz QGHBRTQFMFCFBG-LJQANCHMSA-N -1 1 462.527 4.638 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000009453473 522953849 /nfs/dbraw/zinc/95/38/49/522953849.db2.gz FSHWXHXYKODYKS-FQEVSTJZSA-N -1 1 498.532 4.708 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000009014929 522954082 /nfs/dbraw/zinc/95/40/82/522954082.db2.gz YHOCHBQQNZVUFM-IBGZPJMESA-N -1 1 499.317 4.551 50 30 JJEAMM COc1ccc(/C=C2\Oc3c(ccc([O-])c3CN(C)Cc3ccccc3)C2=O)c(OC)c1OC ZINC000020610596 523422890 /nfs/dbraw/zinc/42/28/90/523422890.db2.gz KBGZCJVGRLCYBF-UCQKPKSFSA-N -1 1 461.514 4.666 50 30 biogenic JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009271084 523569623 /nfs/dbraw/zinc/56/96/23/523569623.db2.gz XINWKKUAQOSCRQ-NRFANRHFSA-N -1 1 480.542 4.569 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2cccc3ccccc32)cc1 ZINC000009370882 523571438 /nfs/dbraw/zinc/57/14/38/523571438.db2.gz JZDRRTUGCAVIQW-NRFANRHFSA-N -1 1 457.511 4.791 50 30 JJEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000009453266 524033763 /nfs/dbraw/zinc/03/37/63/524033763.db2.gz DZNVPIQAWJAPDM-YEJXKQKISA-N -1 1 461.543 4.515 50 30 JJEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009524344 524647449 /nfs/dbraw/zinc/64/74/49/524647449.db2.gz SJJVXFARUVRWSB-HXUWFJFHSA-N -1 1 458.587 4.966 50 30 JJEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1 ZINC000009353100 524891519 /nfs/dbraw/zinc/89/15/19/524891519.db2.gz NHYMMQCMHNTQAO-HXUWFJFHSA-N -1 1 450.516 4.560 50 30 JJEAMM COc1ccc(OC)c([C@@H]2c3c(=O)[n-]c(SCc4ccc(C)cc4)nc3NC3=C2C(=O)CCC3)c1 ZINC000016345544 524900435 /nfs/dbraw/zinc/90/04/35/524900435.db2.gz STFAXKOXFFFQSE-QFIPXVFZSA-N -1 1 489.597 4.952 50 30 JJEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009293043 524919437 /nfs/dbraw/zinc/91/94/37/524919437.db2.gz PJTVWDWMMWPGIG-OAQYLSRUSA-N -1 1 459.414 4.594 50 30 JJEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009293043 524919446 /nfs/dbraw/zinc/91/94/46/524919446.db2.gz PJTVWDWMMWPGIG-OAQYLSRUSA-N -1 1 459.414 4.594 50 30 JJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(C)cc2)no1 ZINC000009462843 525048698 /nfs/dbraw/zinc/04/86/98/525048698.db2.gz SORZMVGSXOUVRI-IBGZPJMESA-N -1 1 453.292 4.837 50 30 JJEAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccnc2)cc1 ZINC000009348054 525230998 /nfs/dbraw/zinc/23/09/98/525230998.db2.gz DIHMTWJSIJQTCW-AFJIDDCJSA-N -1 1 497.551 4.856 50 30 JJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000009065426 525388233 /nfs/dbraw/zinc/38/82/33/525388233.db2.gz LJLYUWROTZOGRZ-NRFANRHFSA-N -1 1 464.543 4.868 50 30 JJEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009331805 525518572 /nfs/dbraw/zinc/51/85/72/525518572.db2.gz LOGURDIKTHQRQL-CWTRNNRKSA-N -1 1 452.919 4.903 50 30 JJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)o1 ZINC000009244031 526031191 /nfs/dbraw/zinc/03/11/91/526031191.db2.gz KMDIHWRPVHINCA-IBGZPJMESA-N -1 1 490.566 4.910 50 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O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000101104132 569782989 /nfs/dbraw/zinc/78/29/89/569782989.db2.gz DJCKFZMVARPDFG-LCPUNJGISA-N -1 1 479.286 4.984 50 30 JJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000101287840 569789697 /nfs/dbraw/zinc/78/96/97/569789697.db2.gz BCVZZFDJKNRUQJ-WOOAAIBNSA-N -1 1 452.919 4.988 50 30 JJEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000101293863 569789854 /nfs/dbraw/zinc/78/98/54/569789854.db2.gz CLCPTFNPEJJPLF-JBCNATCCSA-N -1 1 495.329 4.937 50 30 JJEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101502782 569800957 /nfs/dbraw/zinc/80/09/57/569800957.db2.gz ACTZIBRJFOVQRB-MOBKVPTQSA-N -1 1 491.887 4.833 50 30 JJEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101502777 569801067 /nfs/dbraw/zinc/80/10/67/569801067.db2.gz MCHUGXBIEYXVDJ-MOBKVPTQSA-N -1 1 491.887 4.833 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102602847 569814568 /nfs/dbraw/zinc/81/45/68/569814568.db2.gz NCVPAVIXXQDQOB-AYWGPLOBSA-N -1 1 474.469 4.628 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102861723 569824908 /nfs/dbraw/zinc/82/49/08/569824908.db2.gz NHGZKEIROAQUQU-LFVOPCPISA-N -1 1 499.932 4.956 50 30 JJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102864127 569825340 /nfs/dbraw/zinc/82/53/40/569825340.db2.gz QDJLQVGMFUXBLB-HVESIFNPSA-N -1 1 455.333 4.840 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102930576 569828094 /nfs/dbraw/zinc/82/80/94/569828094.db2.gz NRHNVYYPXPHING-UYTDBDHRSA-N -1 1 472.906 4.501 50 30 JJEAMM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCN(Cc2cccc(F)c2)CC1 ZINC000328578996 570178968 /nfs/dbraw/zinc/17/89/68/570178968.db2.gz GGTRCTLGDMALCH-UHFFFAOYSA-N -1 1 474.532 4.988 50 30 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468.893 4.670 50 30 JJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102504596 535442922 /nfs/dbraw/zinc/44/29/22/535442922.db2.gz FGSJQYWTMMKIRH-NHFXJNLRSA-N -1 1 491.481 4.823 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102797455 536569602 /nfs/dbraw/zinc/56/96/02/536569602.db2.gz IIRVOBNAGRVXDB-HVESIFNPSA-N -1 1 476.341 4.788 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2cccc3ccccc32)cc1 ZINC000102710410 536570158 /nfs/dbraw/zinc/57/01/58/536570158.db2.gz PCPOMTYOHYBPCO-MRJHHRETSA-N -1 1 457.511 4.635 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)cc(OC)c1OC ZINC000102706098 536885098 /nfs/dbraw/zinc/88/50/98/536885098.db2.gz DQTZZSDZMMGKAM-NHFXJNLRSA-N -1 1 492.509 4.541 50 30 JJEAMM C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C(=O)[N-]C1=S ZINC000000681142 553753831 /nfs/dbraw/zinc/75/38/31/553753831.db2.gz WEQZBMOFCZZVNQ-HAHDFKILSA-N -1 1 489.572 4.625 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000000724037 553773491 /nfs/dbraw/zinc/77/34/91/553773491.db2.gz ULBYDEVKQMONLC-GOSISDBHSA-N -1 1 498.944 4.683 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccc2)ccc1O ZINC000000863631 553803868 /nfs/dbraw/zinc/80/38/68/553803868.db2.gz HNMKFJKZDYIHSU-NRFANRHFSA-N -1 1 480.314 4.946 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000000934467 553872984 /nfs/dbraw/zinc/87/29/84/553872984.db2.gz ILGXEGIKCWYAJL-HNNXBMFYSA-N -1 1 450.278 4.767 50 30 JJEAMM O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000000959858 553885725 /nfs/dbraw/zinc/88/57/25/553885725.db2.gz KXORXYLSWBMZRH-FQEVSTJZSA-N -1 1 477.517 4.907 50 30 JJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000001464663 553976249 /nfs/dbraw/zinc/97/62/49/553976249.db2.gz UBKHGHFEJSJHKX-KRWDZBQOSA-N -1 1 470.348 4.700 50 30 JJEAMM [O-]c1c(Br)cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1Br ZINC000002053201 554011937 /nfs/dbraw/zinc/01/19/37/554011937.db2.gz DHUMZMCCYVOXHN-QGMBQPNBSA-N -1 1 454.147 4.720 50 30 JJEAMM O=C1CCCC2=C1[C@@H](c1cccc(O)c1)c1c(=O)[n-]c(SCc3ccc([N+](=O)[O-])cc3)nc1N2 ZINC000002719228 554304255 /nfs/dbraw/zinc/30/42/55/554304255.db2.gz XGLNSAMAZDXEPS-LJQANCHMSA-N -1 1 476.514 4.653 50 30 JJEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000004793724 554480775 /nfs/dbraw/zinc/48/07/75/554480775.db2.gz MGCMOTVNEGYHAJ-MRXNPFEDSA-N -1 1 460.397 4.989 50 30 JJEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCCCCC(=O)[O-] ZINC000006459047 554542184 /nfs/dbraw/zinc/54/21/84/554542184.db2.gz BXQKVUIKHKQXNZ-OAQYLSRUSA-N -1 1 457.910 4.572 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2)nc1C ZINC000008740819 554642842 /nfs/dbraw/zinc/64/28/42/554642842.db2.gz ZPCXTKWPKJHRSM-FQEVSTJZSA-N -1 1 492.553 4.728 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2)nc1C ZINC000008740819 554642844 /nfs/dbraw/zinc/64/28/44/554642844.db2.gz ZPCXTKWPKJHRSM-FQEVSTJZSA-N -1 1 492.553 4.728 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008743754 554646604 /nfs/dbraw/zinc/64/66/04/554646604.db2.gz MMWVXGWPQNOHOX-SFHVURJKSA-N -1 1 455.923 4.682 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000008779312 554676626 /nfs/dbraw/zinc/67/66/26/554676626.db2.gz YLVCYHMOIPCFCM-SFHVURJKSA-N -1 1 498.582 4.871 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(F)c3)sc2c1 ZINC000008817165 554699637 /nfs/dbraw/zinc/69/96/37/554699637.db2.gz WOYVICALWUHDKB-IBGZPJMESA-N -1 1 450.447 4.820 50 30 JJEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008827604 554717804 /nfs/dbraw/zinc/71/78/04/554717804.db2.gz VPVFXNQXPHVWHZ-DEOSSOPVSA-N -1 1 470.481 4.936 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008836790 554737103 /nfs/dbraw/zinc/73/71/03/554737103.db2.gz FFDQRZIAPDHDBB-NRFANRHFSA-N -1 1 492.509 4.698 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000008838217 554739516 /nfs/dbraw/zinc/73/95/16/554739516.db2.gz MZLQUGCERZMCPR-HXUWFJFHSA-N -1 1 492.553 4.728 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000008838217 554739517 /nfs/dbraw/zinc/73/95/17/554739517.db2.gz MZLQUGCERZMCPR-HXUWFJFHSA-N -1 1 492.553 4.728 50 30 JJEAMM COc1cc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000008897889 554788240 /nfs/dbraw/zinc/78/82/40/554788240.db2.gz GDMKYJZFCULKMY-SFHVURJKSA-N -1 1 486.571 4.630 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000008897889 554788243 /nfs/dbraw/zinc/78/82/43/554788243.db2.gz GDMKYJZFCULKMY-SFHVURJKSA-N -1 1 486.571 4.630 50 30 JJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000008914505 554807650 /nfs/dbraw/zinc/80/76/50/554807650.db2.gz CUHWTKOKPYIBMW-GOSISDBHSA-N -1 1 457.255 4.668 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000008915039 554808123 /nfs/dbraw/zinc/80/81/23/554808123.db2.gz XJWUYWMVMTZLGG-MRXNPFEDSA-N -1 1 459.296 4.828 50 30 JJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000008918981 554815813 /nfs/dbraw/zinc/81/58/13/554815813.db2.gz GBXAWFKVINVHFZ-LJQANCHMSA-N -1 1 470.934 4.910 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000008973448 554844460 /nfs/dbraw/zinc/84/44/60/554844460.db2.gz WOYVICALWUHDKB-LJQANCHMSA-N -1 1 450.447 4.820 50 30 JJEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000008996413 554856901 /nfs/dbraw/zinc/85/69/01/554856901.db2.gz XVHXPTIWUNKUQY-HXUWFJFHSA-N -1 1 465.303 4.636 50 30 JJEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000008996413 554856904 /nfs/dbraw/zinc/85/69/04/554856904.db2.gz XVHXPTIWUNKUQY-HXUWFJFHSA-N -1 1 465.303 4.636 50 30 JJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])c(OC)c1 ZINC000009085897 554888562 /nfs/dbraw/zinc/88/85/62/554888562.db2.gz GTQJLEHXHZTXMU-JOCHJYFZSA-N -1 1 487.936 4.581 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000013549903 555491289 /nfs/dbraw/zinc/49/12/89/555491289.db2.gz OJRJEBBTOVUWHM-INIZCTEOSA-N -1 1 472.906 4.576 50 30 JJEAMM N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O ZINC000009805346 555517228 /nfs/dbraw/zinc/51/72/28/555517228.db2.gz QDPBBVLYPXXJOR-GIDUJCDVSA-N -1 1 496.713 4.758 50 30 JJEAMM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2[O-])cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000013881946 555640271 /nfs/dbraw/zinc/64/02/71/555640271.db2.gz ASFSIROEHCNECR-OAQYLSRUSA-N -1 1 466.362 4.925 50 30 JJEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008384355 562939035 /nfs/dbraw/zinc/93/90/35/562939035.db2.gz XMNYSDBTSFDAPN-IBGZPJMESA-N -1 1 453.520 4.710 50 30 JJEAMM C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000086057482 569717357 /nfs/dbraw/zinc/71/73/57/569717357.db2.gz IZUTTYLUFZKCSP-KRWDZBQOSA-N -1 1 483.977 4.763 50 30 JJEAMM C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096114825 569733781 /nfs/dbraw/zinc/73/37/81/569733781.db2.gz KLNTXPZBUGKKNI-QGZVFWFLSA-N -1 1 486.476 4.973 50 30 biogenic JJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000101287426 569789507 /nfs/dbraw/zinc/78/95/07/569789507.db2.gz CMDQFSYWVHYUGS-MRJHHRETSA-N -1 1 450.878 4.828 50 30 JJEAMM CCOc1cc(-c2cc3n(c(=N)c2C#N)CCc2cc(OC)c(OC)cc2-3)cc(Br)c1[O-] ZINC000101390706 569796005 /nfs/dbraw/zinc/79/60/05/569796005.db2.gz BVMCMMLDXQJTRG-UHFFFAOYSA-N -1 1 496.361 4.613 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102602851 569814555 /nfs/dbraw/zinc/81/45/55/569814555.db2.gz NCVPAVIXXQDQOB-ZHHPLPSFSA-N -1 1 474.469 4.628 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102859462 569824742 /nfs/dbraw/zinc/82/47/42/569824742.db2.gz UNXBRKVHTIFVDB-JBCNATCCSA-N -1 1 492.509 4.541 50 30 JJEAMM CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102863156 569825204 /nfs/dbraw/zinc/82/52/04/569825204.db2.gz QEAWLXMJXKHPGX-JBCNATCCSA-N -1 1 476.510 4.923 50 30 JJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102863156 569825205 /nfs/dbraw/zinc/82/52/05/569825205.db2.gz QEAWLXMJXKHPGX-JBCNATCCSA-N -1 1 476.510 4.923 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102927704 569826977 /nfs/dbraw/zinc/82/69/77/569826977.db2.gz PMQJHCHJBVUKAD-YDJIHCHBSA-N -1 1 462.483 4.533 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2cccs2)nc1C ZINC000102929656 569827858 /nfs/dbraw/zinc/82/78/58/569827858.db2.gz FNUROPJWKVNGCJ-SELCWUDQSA-N -1 1 498.582 4.715 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000103854611 569838558 /nfs/dbraw/zinc/83/85/58/569838558.db2.gz HHFHRKQWHQCVGU-AYWGPLOBSA-N -1 1 475.472 4.637 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000103854611 569838559 /nfs/dbraw/zinc/83/85/59/569838559.db2.gz HHFHRKQWHQCVGU-AYWGPLOBSA-N -1 1 475.472 4.637 50 30 JJEAMM COc1ccc(OC)c([C@@H]2c3c(=O)[n-]c(-c4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000044974112 569839783 /nfs/dbraw/zinc/83/97/83/569839783.db2.gz XMFXBCMWEOVANN-NRFANRHFSA-N -1 1 457.530 4.655 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000104198552 569842846 /nfs/dbraw/zinc/84/28/46/569842846.db2.gz IDTIKGYEXJVIHA-SELCWUDQSA-N -1 1 482.945 4.826 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000104198552 569842848 /nfs/dbraw/zinc/84/28/48/569842848.db2.gz IDTIKGYEXJVIHA-SELCWUDQSA-N -1 1 482.945 4.826 50 30 JJEAMM [O-]c1c(Br)cc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccccc1 ZINC000001880103 194151927 /nfs/dbraw/zinc/15/19/27/194151927.db2.gz UUZDZFURHMZYQO-QGMBQPNBSA-N -1 1 454.147 4.720 50 30 JJEAMM Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1 ZINC000004558430 194392338 /nfs/dbraw/zinc/39/23/38/194392338.db2.gz VASSMDUNODEECJ-UUYOSTAYSA-N -1 1 490.335 4.923 50 30 JJEAMM COc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102503106 130157221 /nfs/dbraw/zinc/15/72/21/130157221.db2.gz GRDPBRUATAGGKV-MRJHHRETSA-N -1 1 476.510 4.841 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)nc1C ZINC000102505297 130159621 /nfs/dbraw/zinc/15/96/21/130159621.db2.gz VGGKOWXNDKBVNG-WOOAAIBNSA-N -1 1 462.527 4.563 50 30 JJEAMM CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000102528707 130181411 /nfs/dbraw/zinc/18/14/11/130181411.db2.gz RGQLBHLZKTVJTA-SBXHHDGASA-N -1 1 459.498 4.729 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102539753 130194844 /nfs/dbraw/zinc/19/48/44/130194844.db2.gz YVRIUEQKNRAJSB-SBXHHDGASA-N -1 1 474.513 4.514 50 30 JJEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccco3)s2)cc1 ZINC000102552063 130204073 /nfs/dbraw/zinc/20/40/73/130204073.db2.gz QGEBMEAMHPULCT-GHNGSUTGSA-N -1 1 479.539 4.951 50 30 JJEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000102611982 130223387 /nfs/dbraw/zinc/22/33/87/130223387.db2.gz OUPWHYWHRRZCOI-LHRXRZTBSA-N -1 1 487.512 4.780 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102694188 130240450 /nfs/dbraw/zinc/24/04/50/130240450.db2.gz ONNDXQHAAUMBRA-SELCWUDQSA-N -1 1 498.944 4.526 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102721352 130267070 /nfs/dbraw/zinc/26/70/70/130267070.db2.gz QKAUAHQLBZVHCQ-SELCWUDQSA-N -1 1 498.944 4.526 50 30 JJEAMM CCOC(=O)c1[nH]c2ccc(OC)cc2c1C=Nn1cc([O-])c(-c2nc3ccccc3s2)c1N ZINC000102724284 130269398 /nfs/dbraw/zinc/26/93/98/130269398.db2.gz UUIYRGQTGHUGAJ-FVWOVNQCSA-N -1 1 475.530 4.559 50 30 JJEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000102771476 130296877 /nfs/dbraw/zinc/29/68/77/130296877.db2.gz NQEBRQKVMMTXFO-NMSSPVSYSA-N -1 1 483.549 4.949 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102803332 130310679 /nfs/dbraw/zinc/31/06/79/130310679.db2.gz VKBATUVFFKUWOS-SELCWUDQSA-N -1 1 498.944 4.526 50 30 JJEAMM COc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102878859 130353243 /nfs/dbraw/zinc/35/32/43/130353243.db2.gz LCTLEBUCVVFSRT-LFVOPCPISA-N -1 1 480.473 4.672 50 30 JJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)o1 ZINC000102882342 130360953 /nfs/dbraw/zinc/36/09/53/130360953.db2.gz KEEFRFKZKYBRGY-LFVOPCPISA-N -1 1 479.445 4.871 50 30 JJEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102892492 130374784 /nfs/dbraw/zinc/37/47/84/130374784.db2.gz CZXCRYKSVNWZRH-HOGKFDNTSA-N -1 1 466.490 4.780 50 30 JJEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102926603 130398161 /nfs/dbraw/zinc/39/81/61/130398161.db2.gz RBJYLMTUPGKXCH-MOBKVPTQSA-N -1 1 472.522 4.940 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000006144028 518979702 /nfs/dbraw/zinc/97/97/02/518979702.db2.gz ZKAPDHRPLPECSA-SFHVURJKSA-N -1 1 480.567 4.947 50 30 JJEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 ZINC000009124424 519048457 /nfs/dbraw/zinc/04/84/57/519048457.db2.gz QRZSIYYMOIGMID-QRQCRPRQSA-N -1 1 474.538 4.814 50 30 JJEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009124424 519048462 /nfs/dbraw/zinc/04/84/62/519048462.db2.gz QRZSIYYMOIGMID-QRQCRPRQSA-N -1 1 474.538 4.814 50 30 JJEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000009354304 520431579 /nfs/dbraw/zinc/43/15/79/520431579.db2.gz MBZYOWDUXWACJH-QHCPKHFHSA-N -1 1 478.501 4.572 50 30 JJEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000009354304 520431583 /nfs/dbraw/zinc/43/15/83/520431583.db2.gz MBZYOWDUXWACJH-QHCPKHFHSA-N -1 1 478.501 4.572 50 30 JJEAMM CC1(C)SC(=S)N(/N=C/C=C/c2ccc([N+](=O)[O-])o2)[C@@H]1N([O-])C(=O)Nc1ccccc1 ZINC000012402044 520616225 /nfs/dbraw/zinc/61/62/25/520616225.db2.gz WUWDAMZXLJRGDZ-RMPRMWFFSA-N -1 1 461.525 4.549 50 30 JJEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009043845 520783927 /nfs/dbraw/zinc/78/39/27/520783927.db2.gz UZXPYXGSWMIFJF-NRFANRHFSA-N -1 1 480.542 4.656 50 30 JJEAMM CCOC(=O)COc1cc(-c2ccccc2)nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC000033292699 520798707 /nfs/dbraw/zinc/79/87/07/520798707.db2.gz VBUODZOSHDJAMX-UHFFFAOYSA-N -1 1 487.537 4.516 50 30 JJEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000009472210 520862539 /nfs/dbraw/zinc/86/25/39/520862539.db2.gz VQKMKCYQQGFDIS-HXUWFJFHSA-N -1 1 467.522 4.947 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009339541 520880263 /nfs/dbraw/zinc/88/02/63/520880263.db2.gz MIJIDWUDQLPAMK-OAQYLSRUSA-N -1 1 480.542 4.656 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009354031 520880947 /nfs/dbraw/zinc/88/09/47/520880947.db2.gz VTFAPABVYWJLTL-DEOSSOPVSA-N -1 1 475.497 4.591 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009273001 521483171 /nfs/dbraw/zinc/48/31/71/521483171.db2.gz DZDODMCOOINDQK-QFIPXVFZSA-N -1 1 472.453 4.554 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009273001 521483178 /nfs/dbraw/zinc/48/31/78/521483178.db2.gz DZDODMCOOINDQK-QFIPXVFZSA-N -1 1 472.453 4.554 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)nc1C ZINC000016737455 521610368 /nfs/dbraw/zinc/61/03/68/521610368.db2.gz PZWOUUYGKKVJFW-IBGZPJMESA-N -1 1 480.542 4.929 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)nc1C ZINC000009008608 521612006 /nfs/dbraw/zinc/61/20/06/521612006.db2.gz JFAJBLBURIBERZ-IBGZPJMESA-N -1 1 462.527 4.720 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)nc1C ZINC000009066663 521612099 /nfs/dbraw/zinc/61/20/99/521612099.db2.gz MZKATHBNRAOUQW-SFHVURJKSA-N -1 1 466.515 4.621 50 30 JJEAMM COc1cc(/C=C2\Oc3c(ccc([O-])c3CN(C)Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000020611193 521965790 /nfs/dbraw/zinc/96/57/90/521965790.db2.gz ZELUUNGVTCNOHQ-UUYOSTAYSA-N -1 1 461.514 4.666 50 30 biogenic JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)o2)nc1C ZINC000016741846 522418923 /nfs/dbraw/zinc/41/89/23/522418923.db2.gz OKZJWBXIQANBCZ-GOSISDBHSA-N -1 1 478.482 4.669 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)nc1C ZINC000009123731 522421347 /nfs/dbraw/zinc/42/13/47/522421347.db2.gz PIXGXSUCEHBVSY-KRWDZBQOSA-N -1 1 468.918 4.674 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000009008309 522421852 /nfs/dbraw/zinc/42/18/52/522421852.db2.gz HJYNPOPJUHWGOW-HXUWFJFHSA-N -1 1 492.553 4.646 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000009008310 522423735 /nfs/dbraw/zinc/42/37/35/522423735.db2.gz HJYNPOPJUHWGOW-FQEVSTJZSA-N -1 1 492.553 4.646 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009339496 523567522 /nfs/dbraw/zinc/56/75/22/523567522.db2.gz TYVFELBHTBBKTA-HXUWFJFHSA-N -1 1 450.516 4.560 50 30 JJEAMM COc1ccc(C(=O)Nc2ccc(/C(C)=N\[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 ZINC000020568755 523747333 /nfs/dbraw/zinc/74/73/33/523747333.db2.gz UNNYATLGJHGQDY-WGARJPEWSA-N -1 1 492.384 4.957 50 30 JJEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC ZINC000009507750 524171520 /nfs/dbraw/zinc/17/15/20/524171520.db2.gz LFLJJQQTDMQTSG-IBGZPJMESA-N -1 1 499.317 4.546 50 30 JJEAMM COc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000009334397 524172887 /nfs/dbraw/zinc/17/28/87/524172887.db2.gz RCVFIMLNNJPFHD-IBGZPJMESA-N -1 1 480.473 4.829 50 30 JJEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000009068567 525388867 /nfs/dbraw/zinc/38/88/67/525388867.db2.gz LSJCXBMQMVKOKX-FQEVSTJZSA-N -1 1 468.506 4.699 50 30 JJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000009068567 525388875 /nfs/dbraw/zinc/38/88/75/525388875.db2.gz LSJCXBMQMVKOKX-FQEVSTJZSA-N -1 1 468.506 4.699 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009070816 525668626 /nfs/dbraw/zinc/66/86/26/525668626.db2.gz RVHVXMZNKPRQRA-LJQANCHMSA-N -1 1 477.454 4.589 50 30 JJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000009292908 525668783 /nfs/dbraw/zinc/66/87/83/525668783.db2.gz PKQBBHZXSOHLCU-QKFKETGDSA-N -1 1 499.548 4.806 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000009292908 525668790 /nfs/dbraw/zinc/66/87/90/525668790.db2.gz PKQBBHZXSOHLCU-QKFKETGDSA-N -1 1 499.548 4.806 50 30 JJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000009292911 525670709 /nfs/dbraw/zinc/67/07/09/525670709.db2.gz PKQBBHZXSOHLCU-PSLXWICFSA-N -1 1 499.548 4.806 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000009292911 525670718 /nfs/dbraw/zinc/67/07/18/525670718.db2.gz PKQBBHZXSOHLCU-PSLXWICFSA-N -1 1 499.548 4.806 50 30 JJEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)c1 ZINC000009185696 525785088 /nfs/dbraw/zinc/78/50/88/525785088.db2.gz POCZDQDCZVLNRQ-IBGZPJMESA-N -1 1 469.291 4.537 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000009244166 526269010 /nfs/dbraw/zinc/26/90/10/526269010.db2.gz MNTITGQETRPERB-IBGZPJMESA-N -1 1 480.274 4.535 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000009067102 526271642 /nfs/dbraw/zinc/27/16/42/526271642.db2.gz DPUCANLPKQKYLF-MRXNPFEDSA-N -1 1 459.296 4.828 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000001152505 526272225 /nfs/dbraw/zinc/27/22/25/526272225.db2.gz IMFRFXGEYOPGLK-MRXNPFEDSA-N -1 1 459.296 4.828 50 30 JJEAMM [O-]C(c1cc(Cl)cc(C(O)(C(F)(F)F)C(F)(F)F)c1O)(C(F)(F)F)C(F)(F)F ZINC000033355234 526324226 /nfs/dbraw/zinc/32/42/26/526324226.db2.gz CUCULWKIVIMBBT-UHFFFAOYSA-N -1 1 460.598 4.670 50 30 JJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(Cl)cc2)s1 ZINC000009449448 526353425 /nfs/dbraw/zinc/35/34/25/526353425.db2.gz MSCSBPIMAHXJBR-JEOXALJRSA-N -1 1 467.934 4.606 50 30 JJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009271339 526825052 /nfs/dbraw/zinc/82/50/52/526825052.db2.gz NLCRMVTWHROSSP-SFHVURJKSA-N -1 1 465.418 4.720 50 30 JJEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 ZINC000009993261 527578489 /nfs/dbraw/zinc/57/84/89/527578489.db2.gz TUPVRLKIAPVDIE-HXUWFJFHSA-N -1 1 490.325 4.812 50 30 JJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102925691 535442585 /nfs/dbraw/zinc/44/25/85/535442585.db2.gz HSIZTQNMGINMBY-JBCNATCCSA-N -1 1 476.510 4.923 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102521669 536569984 /nfs/dbraw/zinc/56/99/84/536569984.db2.gz TWBLCFYOTWTJPX-GHNGSUTGSA-N -1 1 485.359 4.849 50 30 JJEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000102882808 536658899 /nfs/dbraw/zinc/65/88/99/536658899.db2.gz FRXDPWNHVPHFAB-AYWGPLOBSA-N -1 1 479.916 4.992 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102483740 536884903 /nfs/dbraw/zinc/88/49/03/536884903.db2.gz MNZLJBHGKPPVHX-WOOAAIBNSA-N -1 1 470.934 4.754 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102857404 536884934 /nfs/dbraw/zinc/88/49/34/536884934.db2.gz TVDBLCKKQUVSFC-AYWGPLOBSA-N -1 1 480.517 4.944 50 30 JJEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(O)cc2)c1 ZINC000102714776 537074025 /nfs/dbraw/zinc/07/40/25/537074025.db2.gz XGCBCCBUJXGFOW-MOBKVPTQSA-N -1 1 472.522 4.945 50 30 JJEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1cccnc1 ZINC000001122277 553912093 /nfs/dbraw/zinc/91/20/93/553912093.db2.gz MFVWHISGXLAMED-LJQANCHMSA-N -1 1 462.550 4.797 50 30 JJEAMM CC(C)CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000004793690 554480664 /nfs/dbraw/zinc/48/06/64/554480664.db2.gz WQTIAIBJCMECAZ-MRXNPFEDSA-N -1 1 460.397 4.845 50 30 JJEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000004793719 554480709 /nfs/dbraw/zinc/48/07/09/554480709.db2.gz MGCMOTVNEGYHAJ-INIZCTEOSA-N -1 1 460.397 4.989 50 30 JJEAMM CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000006393818 554533249 /nfs/dbraw/zinc/53/32/49/554533249.db2.gz NKPADNLMEMBMOO-QFIPXVFZSA-N -1 1 470.953 4.629 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000006446303 554540538 /nfs/dbraw/zinc/54/05/38/554540538.db2.gz IGMUCZHGDUNOFC-OAQYLSRUSA-N -1 1 456.479 4.808 50 30 JJEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000008740585 554642540 /nfs/dbraw/zinc/64/25/40/554642540.db2.gz KKVZXZSYILHCEM-HXUWFJFHSA-N -1 1 492.553 4.728 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000008740585 554642544 /nfs/dbraw/zinc/64/25/44/554642544.db2.gz KKVZXZSYILHCEM-HXUWFJFHSA-N -1 1 492.553 4.728 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)nc1C ZINC000008744021 554646954 /nfs/dbraw/zinc/64/69/54/554646954.db2.gz QZUZAPVBJURIDY-IBGZPJMESA-N -1 1 496.541 4.791 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1 ZINC000008744128 554647141 /nfs/dbraw/zinc/64/71/41/554647141.db2.gz JGHXWGRLQXYRFD-IBGZPJMESA-N -1 1 469.291 4.537 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000008779294 554676535 /nfs/dbraw/zinc/67/65/35/554676535.db2.gz YNZPZNYMRLRGFJ-KRWDZBQOSA-N -1 1 468.556 4.781 50 30 JJEAMM CC1(C)SC(=S)N(/N=C/c2ccc(Cl)cc2)[C@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008817154 554699632 /nfs/dbraw/zinc/69/96/32/554699632.db2.gz LOLPAZYZDLHKLJ-XYHOIZSOSA-N -1 1 479.971 4.944 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(O)cc2)cc1 ZINC000008818115 554701561 /nfs/dbraw/zinc/70/15/61/554701561.db2.gz RLBNBJUKPLCPIU-FQEVSTJZSA-N -1 1 450.516 4.647 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000008827574 554717653 /nfs/dbraw/zinc/71/76/53/554717653.db2.gz ULJNASMIGSGBGL-HXUWFJFHSA-N -1 1 483.318 4.845 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000008856430 554752524 /nfs/dbraw/zinc/75/25/24/554752524.db2.gz LKTMJZAFDFRSLH-SFHVURJKSA-N -1 1 482.945 4.983 50 30 JJEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008894819 554784314 /nfs/dbraw/zinc/78/43/14/554784314.db2.gz SGNIWSOQVKMYAU-QHCPKHFHSA-N -1 1 478.501 4.570 50 30 JJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000008901933 554795753 /nfs/dbraw/zinc/79/57/53/554795753.db2.gz SKEGOQNJNQZXSF-INIZCTEOSA-N -1 1 474.311 4.531 50 30 JJEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2)cc1 ZINC000008904921 554799181 /nfs/dbraw/zinc/79/91/81/554799181.db2.gz PQAJFFXRHZXHRH-FQEVSTJZSA-N -1 1 492.553 4.810 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2)cc1 ZINC000008904921 554799184 /nfs/dbraw/zinc/79/91/84/554799184.db2.gz PQAJFFXRHZXHRH-FQEVSTJZSA-N -1 1 492.553 4.810 50 30 JJEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000008988193 554850630 /nfs/dbraw/zinc/85/06/30/554850630.db2.gz MPCPSNLBVZTEIK-HXUWFJFHSA-N -1 1 472.335 4.672 50 30 JJEAMM CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009008005 554861886 /nfs/dbraw/zinc/86/18/86/554861886.db2.gz VGSYBSRNCOOJEP-HXUWFJFHSA-N -1 1 450.516 4.647 50 30 JJEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC ZINC000009462927 555232259 /nfs/dbraw/zinc/23/22/59/555232259.db2.gz LFLJJQQTDMQTSG-LJQANCHMSA-N -1 1 499.317 4.546 50 30 JJEAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C#N)cc3)ccc2N2CCCCC2)cc1 ZINC000009662903 555370073 /nfs/dbraw/zinc/37/00/73/555370073.db2.gz LQIDCKRHNFFKTE-UHFFFAOYSA-N -1 1 490.585 4.610 50 30 JJEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000013570303 555508419 /nfs/dbraw/zinc/50/84/19/555508419.db2.gz MEFOMXNKVRMVGR-HSZRJFAPSA-N -1 1 460.486 4.648 50 30 JJEAMM COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)c1OC ZINC000013570544 555508944 /nfs/dbraw/zinc/50/89/44/555508944.db2.gz JMGMZCLPNMDWSZ-QHCPKHFHSA-N -1 1 470.481 4.936 50 30 JJEAMM COc1ccccc1[C@@H]1c2c(=O)[n-]c(SCc3ccc([N+](=O)[O-])cc3)nc2NC2=C1C(=O)CCC2 ZINC000016973132 556192192 /nfs/dbraw/zinc/19/21/92/556192192.db2.gz BDFGECNOTCTIAD-FQEVSTJZSA-N -1 1 490.541 4.956 50 30 JJEAMM O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000017189597 556235821 /nfs/dbraw/zinc/23/58/21/556235821.db2.gz QMHGJKTYHRMCHF-IBGZPJMESA-N -1 1 460.515 4.947 50 30 JJEAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3C#N)cc2)c1 ZINC000018106653 556288511 /nfs/dbraw/zinc/28/85/11/556288511.db2.gz YRTMJKLHGWNKNK-UHFFFAOYSA-N -1 1 479.627 4.639 50 30 JJEAMM C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000086057577 569717475 /nfs/dbraw/zinc/71/74/75/569717475.db2.gz ZBYBABRULLAXEI-QGZVFWFLSA-N -1 1 483.977 4.763 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000101062529 569780769 /nfs/dbraw/zinc/78/07/69/569780769.db2.gz JYEMFIDJTRTWKD-IBOXJLQUSA-N -1 1 459.296 4.671 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000101062532 569780796 /nfs/dbraw/zinc/78/07/96/569780796.db2.gz JYEMFIDJTRTWKD-UYTDBDHRSA-N -1 1 459.296 4.671 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000101072772 569781447 /nfs/dbraw/zinc/78/14/47/569781447.db2.gz KBJTZJRNXIZGIH-YDJIHCHBSA-N -1 1 479.286 4.984 50 30 JJEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313342 569791984 /nfs/dbraw/zinc/79/19/84/569791984.db2.gz HBVCMRXHWDKGEX-JBCNATCCSA-N -1 1 450.878 4.828 50 30 JJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313272 569792010 /nfs/dbraw/zinc/79/20/10/569792010.db2.gz DFBWXUQGJMFGPL-MOBKVPTQSA-N -1 1 480.904 4.836 50 30 JJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000101313674 569792246 /nfs/dbraw/zinc/79/22/46/569792246.db2.gz QEDRSPWFUBFUGV-NYSCORLISA-N -1 1 474.538 4.658 50 30 JJEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000101313686 569792255 /nfs/dbraw/zinc/79/22/55/569792255.db2.gz QEDRSPWFUBFUGV-IXBTYZTBSA-N -1 1 474.538 4.658 50 30 JJEAMM COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102864142 569825427 /nfs/dbraw/zinc/82/54/27/569825427.db2.gz AKHLHZNDQJQVNW-YDJIHCHBSA-N -1 1 462.483 4.533 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccnc1)c1ccccc1 ZINC000102868921 569825777 /nfs/dbraw/zinc/82/57/77/569825777.db2.gz MVCRSHOATWHCJL-NHFXJNLRSA-N -1 1 486.578 4.852 50 30 JJEAMM COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc([O-])c(Cl)c3)CC(=O)O4)C2=O)cc1O ZINC000253413858 570098357 /nfs/dbraw/zinc/09/83/57/570098357.db2.gz VWEMGESFDQWTEQ-HBYKXQRASA-N -1 1 464.857 4.817 50 30 JJEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102492066 130146185 /nfs/dbraw/zinc/14/61/85/130146185.db2.gz YKIARKJTVSNEKJ-LFVOPCPISA-N -1 1 461.455 4.732 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102513577 130167356 /nfs/dbraw/zinc/16/73/56/130167356.db2.gz ZKISRWHQFILSCZ-YDJIHCHBSA-N -1 1 462.483 4.533 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000102519694 130172744 /nfs/dbraw/zinc/17/27/44/130172744.db2.gz IHYQIHPNTLEZLY-HOGKFDNTSA-N -1 1 494.569 4.889 50 30 JJEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102535611 130190198 /nfs/dbraw/zinc/19/01/98/130190198.db2.gz USUXRFPBKJWFHY-YDJIHCHBSA-N -1 1 464.474 4.972 50 30 JJEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102590147 130218390 /nfs/dbraw/zinc/21/83/90/130218390.db2.gz FLNPSZSOFKDRKE-GHZOWXKBSA-N -1 1 452.919 4.746 50 30 JJEAMM CN(C)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102598007 130219902 /nfs/dbraw/zinc/21/99/02/130219902.db2.gz KQMFCLOSQKOUCS-HOGKFDNTSA-N -1 1 477.904 4.941 50 30 JJEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102700690 130246455 /nfs/dbraw/zinc/24/64/55/130246455.db2.gz DVISRBSGNBCDQP-YDJIHCHBSA-N -1 1 492.553 4.572 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102700690 130246458 /nfs/dbraw/zinc/24/64/58/130246458.db2.gz DVISRBSGNBCDQP-YDJIHCHBSA-N -1 1 492.553 4.572 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102708603 130254780 /nfs/dbraw/zinc/25/47/80/130254780.db2.gz KUOQHTDSJFGQAB-NHFXJNLRSA-N -1 1 476.554 4.988 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)nc1C ZINC000102714292 130260341 /nfs/dbraw/zinc/26/03/41/130260341.db2.gz XRINIQPKJHDQRI-WOOAAIBNSA-N -1 1 496.541 4.635 50 30 JJEAMM COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C([O-])C(=O)N2c2cc(C)on2)c1OC ZINC000102722263 130267555 /nfs/dbraw/zinc/26/75/55/130267555.db2.gz XFHBLXYVCPMKSJ-AYWGPLOBSA-N -1 1 470.481 4.780 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000102726947 130271609 /nfs/dbraw/zinc/27/16/09/130271609.db2.gz ZRMPAYZTFFYZAR-ZHHPLPSFSA-N -1 1 476.529 4.924 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102798434 130306418 /nfs/dbraw/zinc/30/64/18/130306418.db2.gz GGMJYHRCWMBMBX-GHNGSUTGSA-N -1 1 482.945 4.908 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102798664 130307031 /nfs/dbraw/zinc/30/70/31/130307031.db2.gz XJUFCCHPZVUTOQ-GHNGSUTGSA-N -1 1 484.480 4.533 50 30 JJEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000102856527 130326401 /nfs/dbraw/zinc/32/64/01/130326401.db2.gz YCPGFLJECJVUDY-YDJIHCHBSA-N -1 1 472.335 4.516 50 30 JJEAMM COc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102859871 130329935 /nfs/dbraw/zinc/32/99/35/130329935.db2.gz ABPVQVZEBGJRJY-NHFXJNLRSA-N -1 1 476.510 4.841 50 30 JJEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2)cc1 ZINC000102876520 130348841 /nfs/dbraw/zinc/34/88/41/130348841.db2.gz LEDNYWUKHUIJFM-NHFXJNLRSA-N -1 1 492.553 4.653 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2)cc1 ZINC000102876520 130348846 /nfs/dbraw/zinc/34/88/46/130348846.db2.gz LEDNYWUKHUIJFM-NHFXJNLRSA-N -1 1 492.553 4.653 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102878415 130352767 /nfs/dbraw/zinc/35/27/67/130352767.db2.gz MHHFCYASJXAFNH-WOOAAIBNSA-N -1 1 499.932 4.956 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102883306 130363203 /nfs/dbraw/zinc/36/32/03/130363203.db2.gz LQMKADXBWIQNCA-JBCNATCCSA-N -1 1 464.543 4.794 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)nc1C ZINC000102883960 130364960 /nfs/dbraw/zinc/36/49/60/130364960.db2.gz OYEGKCKZBFIWQP-HVESIFNPSA-N -1 1 468.918 4.518 50 30 JJEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Br)cn3)[C@@H]2c2ccccc2)cc1 ZINC000102892392 130374203 /nfs/dbraw/zinc/37/42/03/130374203.db2.gz IAEHSKROKRMOSW-JBCNATCCSA-N -1 1 479.330 4.869 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Br)cn3)[C@@H]2c2ccccc2)cc1 ZINC000102892392 130374207 /nfs/dbraw/zinc/37/42/07/130374207.db2.gz IAEHSKROKRMOSW-JBCNATCCSA-N -1 1 479.330 4.869 50 30 JJEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000009187563 518497079 /nfs/dbraw/zinc/49/70/79/518497079.db2.gz VHXBVEWQFZZYGZ-QKVFXAPYSA-N -1 1 492.528 4.900 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2cccs2)nc1C ZINC000006144018 518979669 /nfs/dbraw/zinc/97/96/69/518979669.db2.gz WXFBZTQZDHMLIT-GOSISDBHSA-N -1 1 480.567 4.947 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccs2)nc1C ZINC000006144018 518979671 /nfs/dbraw/zinc/97/96/71/518979671.db2.gz WXFBZTQZDHMLIT-GOSISDBHSA-N -1 1 480.567 4.947 50 30 JJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009124645 519061497 /nfs/dbraw/zinc/06/14/97/519061497.db2.gz JYCHXMMPZYTZMJ-QRQCRPRQSA-N -1 1 474.538 4.814 50 30 JJEAMM C=CCc1ccc(OCCOc2ccc(C=C3SC(=O)[N-]C3=O)cc2OCC)c(OC)c1 ZINC000015800293 519137561 /nfs/dbraw/zinc/13/75/61/519137561.db2.gz QCGKBWKGCYQFSV-JCMHNJIXSA-N -1 1 455.532 4.604 50 30 JJEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000009272997 519720782 /nfs/dbraw/zinc/72/07/82/519720782.db2.gz DCMUZGKCDJJKJH-QFIPXVFZSA-N -1 1 491.887 4.990 50 30 JJEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009328856 519839547 /nfs/dbraw/zinc/83/95/47/519839547.db2.gz YTLYYVLADZYWRB-OAQYLSRUSA-N -1 1 462.527 4.821 50 30 JJEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@H]2c1ccccn1 ZINC000009393841 520267568 /nfs/dbraw/zinc/26/75/68/520267568.db2.gz QQIYVVLYPONNOS-FQEVSTJZSA-N -1 1 462.550 4.797 50 30 JJEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000012062928 520421492 /nfs/dbraw/zinc/42/14/92/520421492.db2.gz QOALKPZDVOUDTA-RCDICMHDSA-N -1 1 491.569 4.742 50 30 JJEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000012062928 520421501 /nfs/dbraw/zinc/42/15/01/520421501.db2.gz QOALKPZDVOUDTA-RCDICMHDSA-N -1 1 491.569 4.742 50 30 JJEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009008591 520432541 /nfs/dbraw/zinc/43/25/41/520432541.db2.gz LPXHSPHMTFUMMQ-SFHVURJKSA-N -1 1 498.582 4.871 50 30 JJEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009043841 520775337 /nfs/dbraw/zinc/77/53/37/520775337.db2.gz UZXPYXGSWMIFJF-OAQYLSRUSA-N -1 1 480.542 4.656 50 30 JJEAMM CCOc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nccs2)ccc1O ZINC000016737082 520781968 /nfs/dbraw/zinc/78/19/68/520781968.db2.gz GSSKAYTZXUONKC-FQEVSTJZSA-N -1 1 450.516 4.647 50 30 JJEAMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccc(Br)c2)c(=O)o1 ZINC000003582190 520851462 /nfs/dbraw/zinc/85/14/62/520851462.db2.gz RITROXVASKGNNL-NELJVSICSA-N -1 1 477.314 4.530 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000009008677 520879872 /nfs/dbraw/zinc/87/98/72/520879872.db2.gz SXYIUZQXHUKUPJ-JOCHJYFZSA-N -1 1 494.569 4.959 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009425091 520881581 /nfs/dbraw/zinc/88/15/81/520881581.db2.gz ZNOJQJUYDRXOOH-RUZDIDTESA-N -1 1 489.524 4.894 50 30 JJEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000016736980 520895756 /nfs/dbraw/zinc/89/57/56/520895756.db2.gz YWPQELLXQXIULQ-LJQANCHMSA-N -1 1 496.541 4.793 50 30 JJEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008384154 520907555 /nfs/dbraw/zinc/90/75/55/520907555.db2.gz LFJCSDQEUZGXOJ-HXUWFJFHSA-N -1 1 467.522 4.947 50 30 JJEAMM CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000016736414 521235603 /nfs/dbraw/zinc/23/56/03/521235603.db2.gz QDGJLDAJIFGERH-OAQYLSRUSA-N -1 1 491.525 4.783 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009110592 521483331 /nfs/dbraw/zinc/48/33/31/521483331.db2.gz SZKICOBVIYBSFZ-DEOSSOPVSA-N -1 1 487.508 4.663 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000009175232 521611395 /nfs/dbraw/zinc/61/13/95/521611395.db2.gz IZUFHZXPLBHQPI-IBGZPJMESA-N -1 1 480.517 4.859 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000016730497 522420189 /nfs/dbraw/zinc/42/01/89/522420189.db2.gz QGYGXPMVFGMYIY-LJQANCHMSA-N -1 1 480.517 4.777 50 30 JJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000009014930 522917483 /nfs/dbraw/zinc/91/74/83/522917483.db2.gz YHOCHBQQNZVUFM-LJQANCHMSA-N -1 1 499.317 4.551 50 30 JJEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000009453467 522920193 /nfs/dbraw/zinc/92/01/93/522920193.db2.gz FSHWXHXYKODYKS-HXUWFJFHSA-N -1 1 498.532 4.708 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)cc(OC)c1OC ZINC000009463567 522954846 /nfs/dbraw/zinc/95/48/46/522954846.db2.gz ONNLFYFFKAZJFP-FQEVSTJZSA-N -1 1 492.509 4.698 50 30 JJEAMM 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COc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102878862 130353443 /nfs/dbraw/zinc/35/34/43/130353443.db2.gz LCTLEBUCVVFSRT-WOOAAIBNSA-N -1 1 480.473 4.672 50 30 JJEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102879347 130354194 /nfs/dbraw/zinc/35/41/94/130354194.db2.gz YDNZNBQZYGPBLQ-YDJIHCHBSA-N -1 1 468.506 4.543 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102883060 130362767 /nfs/dbraw/zinc/36/27/67/130362767.db2.gz PIFWZVRORQEISB-MRJHHRETSA-N -1 1 487.493 4.839 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102925026 130395011 /nfs/dbraw/zinc/39/50/11/130395011.db2.gz PFZQWOKLEXDGHQ-LFVOPCPISA-N -1 1 480.517 4.702 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccccc2)nc1C ZINC000102925832 130396710 /nfs/dbraw/zinc/39/67/10/130396710.db2.gz GPDBRYSZNBJIHA-NHFXJNLRSA-N -1 1 492.553 4.572 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2)nc1C ZINC000102925832 130396714 /nfs/dbraw/zinc/39/67/14/130396714.db2.gz GPDBRYSZNBJIHA-NHFXJNLRSA-N -1 1 492.553 4.572 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)nc1C ZINC000006144027 518979334 /nfs/dbraw/zinc/97/93/34/518979334.db2.gz ZKAPDHRPLPECSA-GOSISDBHSA-N -1 1 480.567 4.947 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)nc1C ZINC000006144033 518979876 /nfs/dbraw/zinc/97/98/76/518979876.db2.gz ZRSIVURRZVJPPD-LJQANCHMSA-N -1 1 460.511 4.577 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)nc1C ZINC000006144033 518979883 /nfs/dbraw/zinc/97/98/83/518979883.db2.gz ZRSIVURRZVJPPD-LJQANCHMSA-N -1 1 460.511 4.577 50 30 JJEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 ZINC000009124422 519044015 /nfs/dbraw/zinc/04/40/15/519044015.db2.gz QRZSIYYMOIGMID-IVZQSRNASA-N -1 1 474.538 4.814 50 30 JJEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009124422 519044023 /nfs/dbraw/zinc/04/40/23/519044023.db2.gz QRZSIYYMOIGMID-IVZQSRNASA-N -1 1 474.538 4.814 50 30 JJEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009243113 519050070 /nfs/dbraw/zinc/05/00/70/519050070.db2.gz RJGLNLRHLPIHNH-NRFANRHFSA-N -1 1 476.554 4.995 50 30 JJEAMM C=CCn1c(Cc2csc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)n[n-]c1=S ZINC000025681916 519193295 /nfs/dbraw/zinc/19/32/95/519193295.db2.gz TVZZBKBARHJZRV-CQSZACIVSA-N -1 1 499.622 4.571 50 30 JJEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009328857 519840349 /nfs/dbraw/zinc/84/03/49/519840349.db2.gz YTLYYVLADZYWRB-NRFANRHFSA-N -1 1 462.527 4.821 50 30 JJEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c1[C@@H]2c1cccnc1 ZINC000012384456 520258574 /nfs/dbraw/zinc/25/85/74/520258574.db2.gz UTLJLQSPGIIHGQ-LJQANCHMSA-N -1 1 489.557 4.566 50 30 JJEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1ccccn1 ZINC000009393843 520267083 /nfs/dbraw/zinc/26/70/83/520267083.db2.gz QQIYVVLYPONNOS-HXUWFJFHSA-N -1 1 462.550 4.797 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccco2)cc1 ZINC000009460984 520331367 /nfs/dbraw/zinc/33/13/67/520331367.db2.gz LVDWKKWUDQYPBY-LJQANCHMSA-N -1 1 496.541 4.793 50 30 JJEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009045046 520432415 /nfs/dbraw/zinc/43/24/15/520432415.db2.gz YYSFEMSJVJOOEC-IBGZPJMESA-N -1 1 496.541 4.711 50 30 JJEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nnc(C(C)C)s2)ccc1O ZINC000016750853 520774412 /nfs/dbraw/zinc/77/44/12/520774412.db2.gz SZVIHHHEKZCVJU-LJQANCHMSA-N -1 1 483.521 4.688 50 30 JJEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccn2)ccc1O ZINC000009763875 520774836 /nfs/dbraw/zinc/77/48/36/520774836.db2.gz KENAEQLLICBTTG-OAQYLSRUSA-N -1 1 450.878 4.622 50 30 JJEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)ccc1O ZINC000009763875 520774841 /nfs/dbraw/zinc/77/48/41/520774841.db2.gz KENAEQLLICBTTG-OAQYLSRUSA-N -1 1 450.878 4.622 50 30 JJEAMM CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000016741833 521265431 /nfs/dbraw/zinc/26/54/31/521265431.db2.gz NHCKDMBHIJGZGL-FQEVSTJZSA-N -1 1 461.499 4.774 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000016729398 521610670 /nfs/dbraw/zinc/61/06/70/521610670.db2.gz DPOKEHDVLIZMEL-LJQANCHMSA-N -1 1 498.507 4.998 50 30 JJEAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(N(CC)CC)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009781028 521784264 /nfs/dbraw/zinc/78/42/64/521784264.db2.gz CQISREGGHPOLLI-IBGZPJMESA-N -1 1 452.624 4.929 50 30 JJEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009186823 522167233 /nfs/dbraw/zinc/16/72/33/522167233.db2.gz MTHNDZPFLWIJIU-LJQANCHMSA-N -1 1 478.457 4.598 50 30 JJEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000016742352 522171369 /nfs/dbraw/zinc/17/13/69/522171369.db2.gz NQEMKAZOMKQEJW-FQEVSTJZSA-N -1 1 474.494 4.767 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000016730494 522419475 /nfs/dbraw/zinc/41/94/75/522419475.db2.gz QGYGXPMVFGMYIY-IBGZPJMESA-N -1 1 480.517 4.777 50 30 JJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000009334524 523568460 /nfs/dbraw/zinc/56/84/60/523568460.db2.gz YELGKEYYPCKFQI-HXUWFJFHSA-N -1 1 465.303 4.636 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000009334524 523568473 /nfs/dbraw/zinc/56/84/73/523568473.db2.gz YELGKEYYPCKFQI-HXUWFJFHSA-N -1 1 465.303 4.636 50 30 JJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Br)c2)cc1 ZINC000009353918 523570612 /nfs/dbraw/zinc/57/06/12/523570612.db2.gz YELGKEYYPCKFQI-FQEVSTJZSA-N -1 1 465.303 4.636 50 30 JJEAMM 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483.549 4.949 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102799777 130309043 /nfs/dbraw/zinc/30/90/43/130309043.db2.gz JZZNBMXPDQJMDL-WOOAAIBNSA-N -1 1 450.447 4.663 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 ZINC000102799773 130309054 /nfs/dbraw/zinc/30/90/54/130309054.db2.gz JZZNBMXPDQJMDL-LFVOPCPISA-N -1 1 450.447 4.663 50 30 JJEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102800167 130309511 /nfs/dbraw/zinc/30/95/11/130309511.db2.gz HPVZAZVFNGDWPW-PGVNHDJNSA-N -1 1 488.521 4.919 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102806166 130313411 /nfs/dbraw/zinc/31/34/11/130313411.db2.gz ITCFMKCHGLQTJL-WOOAAIBNSA-N -1 1 459.285 4.925 50 30 JJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102860152 130330514 /nfs/dbraw/zinc/33/05/14/130330514.db2.gz VLKWEBXSBIYZRH-MRJHHRETSA-N -1 1 494.500 4.980 50 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COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102891368 130372760 /nfs/dbraw/zinc/37/27/60/130372760.db2.gz KWBXHZYPAARGDY-LFVOPCPISA-N -1 1 459.285 4.925 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccccc2)nc1C ZINC000102925829 130396628 /nfs/dbraw/zinc/39/66/28/130396628.db2.gz GPDBRYSZNBJIHA-YDJIHCHBSA-N -1 1 492.553 4.572 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2)nc1C ZINC000102925829 130396632 /nfs/dbraw/zinc/39/66/32/130396632.db2.gz GPDBRYSZNBJIHA-YDJIHCHBSA-N -1 1 492.553 4.572 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)nc1C ZINC000006144034 518978634 /nfs/dbraw/zinc/97/86/34/518978634.db2.gz ZRSIVURRZVJPPD-IBGZPJMESA-N -1 1 460.511 4.577 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)nc1C ZINC000006144034 518978642 /nfs/dbraw/zinc/97/86/42/518978642.db2.gz ZRSIVURRZVJPPD-IBGZPJMESA-N -1 1 460.511 4.577 50 30 JJEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009358647 520257842 /nfs/dbraw/zinc/25/78/42/520257842.db2.gz CYTZCLARTNWOLR-QFIPXVFZSA-N -1 1 466.490 4.937 50 30 JJEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000012062929 520431630 /nfs/dbraw/zinc/43/16/30/520431630.db2.gz QOALKPZDVOUDTA-PEBXRYMYSA-N -1 1 491.569 4.742 50 30 JJEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000012062929 520431635 /nfs/dbraw/zinc/43/16/35/520431635.db2.gz QOALKPZDVOUDTA-PEBXRYMYSA-N -1 1 491.569 4.742 50 30 JJEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O ZINC000009185719 520782566 /nfs/dbraw/zinc/78/25/66/520782566.db2.gz JJXCEXHIAGQQQZ-FQEVSTJZSA-N -1 1 454.866 4.524 50 30 JJEAMM Cc1[nH][n-]c(=O)c1N=Nc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1Cl ZINC000012413080 520900695 /nfs/dbraw/zinc/90/06/95/520900695.db2.gz IQJFVOVPDQMZEV-UHFFFAOYSA-N -1 1 459.120 4.826 50 30 JJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009042939 521301068 /nfs/dbraw/zinc/30/10/68/521301068.db2.gz JSXMKQKTUJISDC-HXUWFJFHSA-N -1 1 491.481 4.979 50 30 JJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009375192 521301376 /nfs/dbraw/zinc/30/13/76/521301376.db2.gz JYQWWPMWGVJCLJ-HXUWFJFHSA-N -1 1 491.481 4.979 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccs2)nc1C ZINC000009339448 521611615 /nfs/dbraw/zinc/61/16/15/521611615.db2.gz GSRVSSOCIHCPRH-KRWDZBQOSA-N -1 1 468.556 4.781 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccccc2)nc1C ZINC000006195087 521612170 /nfs/dbraw/zinc/61/21/70/521612170.db2.gz AQLGXKSULZXDBT-FQEVSTJZSA-N -1 1 492.553 4.728 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2)nc1C ZINC000006195087 521612175 /nfs/dbraw/zinc/61/21/75/521612175.db2.gz AQLGXKSULZXDBT-FQEVSTJZSA-N -1 1 492.553 4.728 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(F)c2)nc1C ZINC000016730508 522419891 /nfs/dbraw/zinc/41/98/91/522419891.db2.gz MEPDOWFEXXRAAA-SFHVURJKSA-N -1 1 484.480 4.608 50 30 JJEAMM COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc([O-])c2CN(C)Cc2ccccc2)C1=O ZINC000020611270 522816895 /nfs/dbraw/zinc/81/68/95/522816895.db2.gz RVQIPLKPEUBFFD-MXAYSNPKSA-N -1 1 461.514 4.666 50 30 biogenic JJEAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCc4ccc(C#N)cc4)nc3c2)cc1 ZINC000005941090 524695590 /nfs/dbraw/zinc/69/55/90/524695590.db2.gz FNBMPUDASVRJGL-UHFFFAOYSA-N -1 1 451.529 4.801 50 30 JJEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009331807 524976576 /nfs/dbraw/zinc/97/65/76/524976576.db2.gz LOGURDIKTHQRQL-HXPMCKFVSA-N -1 1 452.919 4.903 50 30 JJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(C)cc2)no1 ZINC000009462841 525050356 /nfs/dbraw/zinc/05/03/56/525050356.db2.gz SORZMVGSXOUVRI-LJQANCHMSA-N -1 1 453.292 4.837 50 30 JJEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccn2)cc1OC ZINC000009763873 525221453 /nfs/dbraw/zinc/22/14/53/525221453.db2.gz ZMUSSTUXUKROBY-OAQYLSRUSA-N -1 1 450.878 4.535 50 30 JJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)cc1OC ZINC000009763873 525221459 /nfs/dbraw/zinc/22/14/59/525221459.db2.gz ZMUSSTUXUKROBY-OAQYLSRUSA-N -1 1 450.878 4.535 50 30 JJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000009370669 525387317 /nfs/dbraw/zinc/38/73/17/525387317.db2.gz MJLHEBZFKCELDC-NRFANRHFSA-N -1 1 457.910 4.572 50 30 JJEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccn2)cc1OC ZINC000009763874 525388040 /nfs/dbraw/zinc/38/80/40/525388040.db2.gz ZMUSSTUXUKROBY-NRFANRHFSA-N -1 1 450.878 4.535 50 30 JJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)cc1OC ZINC000009763874 525388047 /nfs/dbraw/zinc/38/80/47/525388047.db2.gz ZMUSSTUXUKROBY-NRFANRHFSA-N -1 1 450.878 4.535 50 30 JJEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1OC ZINC000011340485 525438341 /nfs/dbraw/zinc/43/83/41/525438341.db2.gz YKJXPCMMCWRDPG-OAQYLSRUSA-N -1 1 493.560 4.783 50 30 JJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000009292910 525668473 /nfs/dbraw/zinc/66/84/73/525668473.db2.gz PKQBBHZXSOHLCU-FATZIPQQSA-N -1 1 499.548 4.806 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000009292910 525668484 /nfs/dbraw/zinc/66/84/84/525668484.db2.gz PKQBBHZXSOHLCU-FATZIPQQSA-N -1 1 499.548 4.806 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009174798 525668707 /nfs/dbraw/zinc/66/87/07/525668707.db2.gz PEWHTHMPLCWWDI-FQEVSTJZSA-N -1 1 492.509 4.698 50 30 JJEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009302002 526252476 /nfs/dbraw/zinc/25/24/76/526252476.db2.gz ILXCJBARGDFOIC-IBGZPJMESA-N -1 1 461.455 4.889 50 30 JJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000009969645 526354002 /nfs/dbraw/zinc/35/40/02/526354002.db2.gz RQPVLPNOHHCHLZ-QFIPXVFZSA-N -1 1 484.537 4.603 50 30 JJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000009449452 526354352 /nfs/dbraw/zinc/35/43/52/526354352.db2.gz MSCSBPIMAHXJBR-WLRWDXFRSA-N -1 1 467.934 4.606 50 30 JJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccco1 ZINC000009356938 526825034 /nfs/dbraw/zinc/82/50/34/526825034.db2.gz QOFBUCDPCXXJCD-QGZVFWFLSA-N -1 1 465.512 4.799 50 30 JJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000009186767 526960639 /nfs/dbraw/zinc/96/06/39/526960639.db2.gz MQFBAEWAMKXFST-SFHVURJKSA-N -1 1 453.451 4.590 50 30 JJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000009186766 526960754 /nfs/dbraw/zinc/96/07/54/526960754.db2.gz MQFBAEWAMKXFST-GOSISDBHSA-N -1 1 453.451 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O=C([O-])COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)cc1 ZINC000004397270 527616944 /nfs/dbraw/zinc/61/69/44/527616944.db2.gz PVNMTHZSBPPCFB-QFIPXVFZSA-N -1 1 481.863 4.725 50 30 JJEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102705067 535829875 /nfs/dbraw/zinc/82/98/75/535829875.db2.gz LKWDXYLNLOIZKX-MRJHHRETSA-N -1 1 488.521 4.865 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102797450 536568405 /nfs/dbraw/zinc/56/84/05/536568405.db2.gz IIRVOBNAGRVXDB-GROYHEBESA-N -1 1 476.341 4.788 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C ZINC000000631427 553718279 /nfs/dbraw/zinc/71/82/79/553718279.db2.gz YIKRVWACIBSQSG-QGZVFWFLSA-N -1 1 486.908 4.814 50 30 JJEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc(C)cc4)nc3NC3=C2C(=O)CCC3)cc1OC ZINC000000937257 553874281 /nfs/dbraw/zinc/87/42/81/553874281.db2.gz KKYDNIHTCPDPJF-JOCHJYFZSA-N -1 1 489.597 4.952 50 30 JJEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc(C#N)cc2)C2=C(CCCC2=O)N3)cc1 ZINC000000937256 553874338 /nfs/dbraw/zinc/87/43/38/553874338.db2.gz OKZVEKJJEKFUDM-NRFANRHFSA-N -1 1 454.555 4.807 50 30 JJEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@@H]2c1ccc2c(c1)OCO2 ZINC000000959805 553885695 /nfs/dbraw/zinc/88/56/95/553885695.db2.gz USULWKGVBGLMNA-OAQYLSRUSA-N -1 1 487.581 4.992 50 30 JJEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)nc1C ZINC000001136851 553915210 /nfs/dbraw/zinc/91/52/10/553915210.db2.gz RBEQDYAZWBBTOU-HXUWFJFHSA-N -1 1 462.527 4.759 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000006444652 554538915 /nfs/dbraw/zinc/53/89/15/554538915.db2.gz UPQNUZINAFLJOH-HXUWFJFHSA-N -1 1 463.559 4.936 50 30 JJEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000006473934 554543940 /nfs/dbraw/zinc/54/39/40/554543940.db2.gz OMHYGUHQMYVFJD-PIIWDFAUSA-N -1 1 467.525 4.847 50 30 JJEAMM COc1c(Br)cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)c([O-])c1Br ZINC000006603253 554556354 /nfs/dbraw/zinc/55/63/54/554556354.db2.gz OUCONWFDDMSUDD-UFWORHAWSA-N -1 1 484.173 4.729 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000008739150 554640958 /nfs/dbraw/zinc/64/09/58/554640958.db2.gz HAJWEBMESMKXSP-QHCPKHFHSA-N -1 1 462.502 4.907 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000008779274 554676113 /nfs/dbraw/zinc/67/61/13/554676113.db2.gz FODZHTQTKJBYNG-IBGZPJMESA-N -1 1 496.491 4.855 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000008779370 554676894 /nfs/dbraw/zinc/67/68/94/554676894.db2.gz ISDWRDWIGJJFMD-FQEVSTJZSA-N -1 1 490.537 4.586 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000008779370 554676897 /nfs/dbraw/zinc/67/68/97/554676897.db2.gz ISDWRDWIGJJFMD-FQEVSTJZSA-N -1 1 490.537 4.586 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccnc3)sc2c1 ZINC000008845274 554742006 /nfs/dbraw/zinc/74/20/06/554742006.db2.gz YXZMRWFJPXZKGI-NRFANRHFSA-N -1 1 457.511 4.791 50 30 JJEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000008845708 554743745 /nfs/dbraw/zinc/74/37/45/554743745.db2.gz RKQMRZCCVZLPRA-RCDICMHDSA-N -1 1 491.569 4.742 50 30 JJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008845708 554743747 /nfs/dbraw/zinc/74/37/47/554743747.db2.gz RKQMRZCCVZLPRA-RCDICMHDSA-N -1 1 491.569 4.742 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008858106 554754814 /nfs/dbraw/zinc/75/48/14/554754814.db2.gz ZSWIBVCHJGGEKV-DEOSSOPVSA-N -1 1 474.513 4.671 50 30 JJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008860025 554756550 /nfs/dbraw/zinc/75/65/50/554756550.db2.gz DSKSLHRCICOVSR-XMMPIXPASA-N -1 1 456.498 4.828 50 30 JJEAMM C=CCN1C(=O)/C(=C\c2cc(OCC)c([O-])c(Br)c2Br)SC1=S ZINC000008861153 554757964 /nfs/dbraw/zinc/75/79/64/554757964.db2.gz FQRLTGRSYJHUQO-JXMROGBWSA-N -1 1 479.215 4.703 50 30 JJEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008894832 554784209 /nfs/dbraw/zinc/78/42/09/554784209.db2.gz PRIJTLPRUBXILZ-OAQYLSRUSA-N -1 1 450.878 4.984 50 30 JJEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000008902315 554796355 /nfs/dbraw/zinc/79/63/55/554796355.db2.gz PWRLEFJARBLNFL-LJQANCHMSA-N -1 1 468.506 4.699 50 30 JJEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000008902315 554796356 /nfs/dbraw/zinc/79/63/56/554796356.db2.gz PWRLEFJARBLNFL-LJQANCHMSA-N -1 1 468.506 4.699 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2cccs2)nc1C ZINC000008984701 554848661 /nfs/dbraw/zinc/84/86/61/554848661.db2.gz JLNZYFYUTDNNJP-SFHVURJKSA-N -1 1 498.582 4.871 50 30 JJEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1c1cc(C)on1 ZINC000008996345 554856959 /nfs/dbraw/zinc/85/69/59/554856959.db2.gz UGIBYNHNYLUFAH-IBGZPJMESA-N -1 1 469.291 4.537 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000008996656 554857558 /nfs/dbraw/zinc/85/75/58/554857558.db2.gz JDUOIZYHEMJQQZ-SFHVURJKSA-N -1 1 498.944 4.683 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000009123701 554914467 /nfs/dbraw/zinc/91/44/67/554914467.db2.gz VLPGLESQIKJAIB-LJQANCHMSA-N -1 1 480.517 4.859 50 30 JJEAMM N#Cc1c([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)sc2c1CCCCC2 ZINC000009403254 555161527 /nfs/dbraw/zinc/16/15/27/555161527.db2.gz WTMAWIZCDXAIAS-UHFFFAOYSA-N -1 1 471.494 4.825 50 30 JJEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000013571313 555509640 /nfs/dbraw/zinc/50/96/40/555509640.db2.gz NICSPSSDMLAASA-QHCPKHFHSA-N -1 1 460.486 4.648 50 30 JJEAMM COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nc(C)c(C)s2)[C@@H]1c1cccnc1 ZINC000013722140 555597779 /nfs/dbraw/zinc/59/77/79/555597779.db2.gz QMACMAMJTNLBJI-GOSISDBHSA-N -1 1 455.923 4.600 50 30 JJEAMM C=CCn1c(Cc2csc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)n2)n[n-]c1=S ZINC000023041816 556001482 /nfs/dbraw/zinc/00/14/82/556001482.db2.gz UWDWTTMTNFESDO-UHFFFAOYSA-N -1 1 496.618 4.539 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)nc1C ZINC000016944291 556182266 /nfs/dbraw/zinc/18/22/66/556182266.db2.gz FVOPKLRDHGJDOZ-SFHVURJKSA-N -1 1 466.490 4.550 50 30 JJEAMM CC(=O)CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000017173021 556231630 /nfs/dbraw/zinc/23/16/30/556231630.db2.gz NCGPEJDCQVPKRA-MRXNPFEDSA-N -1 1 478.401 4.958 50 30 JJEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000019787707 556369880 /nfs/dbraw/zinc/36/98/80/556369880.db2.gz GOLPBZUTFNQREN-HXUWFJFHSA-N -1 1 472.335 4.672 50 30 JJEAMM COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)c1OC ZINC000008469058 562939542 /nfs/dbraw/zinc/93/95/42/562939542.db2.gz HCTMUFYOHODCEF-NRFANRHFSA-N -1 1 460.442 4.529 50 30 JJEAMM N#Cc1ccccc1CN1CCCN(c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C1=O ZINC000034737660 569654519 /nfs/dbraw/zinc/65/45/19/569654519.db2.gz YKHACRYBFZWUEG-UHFFFAOYSA-N -1 1 480.977 4.845 50 30 JJEAMM C=CCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000086057461 569717355 /nfs/dbraw/zinc/71/73/55/569717355.db2.gz HFUFVHUEWYNMTB-QGZVFWFLSA-N -1 1 453.951 4.755 50 30 JJEAMM C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096114824 569733799 /nfs/dbraw/zinc/73/37/99/569733799.db2.gz KLNTXPZBUGKKNI-KRWDZBQOSA-N -1 1 486.476 4.973 50 30 biogenic JJEAMM O=c1c(C=NN=c2[nH]c3ccccc3s2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000100405664 569759330 /nfs/dbraw/zinc/75/93/30/569759330.db2.gz XNGGGUSMIXCGOX-NUGSKGIGSA-N -1 1 460.466 4.850 50 30 JJEAMM O=c1[nH]c(=O)n(-c2ccccc2)c([O-])c1C=Nc1nc(-c2ccccc2)sc1-c1ccccc1 ZINC000100856082 569772562 /nfs/dbraw/zinc/77/25/62/569772562.db2.gz RMCHPEWUZIGISX-JVWAILMASA-N -1 1 466.522 4.773 50 30 JJEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@H]2c1ccc(O)cc1 ZINC000100888095 569774357 /nfs/dbraw/zinc/77/43/57/569774357.db2.gz SPWVVPLFSHZPTJ-FQEVSTJZSA-N -1 1 459.571 4.968 50 30 JJEAMM O=C1CCCC2=C1[C@H](c1ccc(O)cc1)c1c(=O)[n-]c(SCc3ccccc3Cl)nc1N2 ZINC000100888179 569774378 /nfs/dbraw/zinc/77/43/78/569774378.db2.gz SNNBUENHCGBOGM-IBGZPJMESA-N -1 1 465.962 4.986 50 30 JJEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000101294064 569789846 /nfs/dbraw/zinc/78/98/46/569789846.db2.gz GGXBMUPDIYPJAT-MOBKVPTQSA-N -1 1 476.554 4.960 50 30 JJEAMM CCOc1cc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102860584 569824707 /nfs/dbraw/zinc/82/47/07/569824707.db2.gz VUHYGELJMZJCDW-SELCWUDQSA-N -1 1 456.545 4.552 50 30 JJEAMM CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102860584 569824709 /nfs/dbraw/zinc/82/47/09/569824709.db2.gz VUHYGELJMZJCDW-SELCWUDQSA-N -1 1 456.545 4.552 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102933487 569829211 /nfs/dbraw/zinc/82/92/11/569829211.db2.gz IUSSQSBXCJASLP-MRJHHRETSA-N -1 1 492.509 4.541 50 30 JJEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000104133276 569841819 /nfs/dbraw/zinc/84/18/19/569841819.db2.gz AILSCNGZGACCNH-JBCNATCCSA-N -1 1 464.861 4.883 50 30 JJEAMM C=CCn1c(SCC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nnc1-c1cccs1 ZINC000002366334 194160252 /nfs/dbraw/zinc/16/02/52/194160252.db2.gz VEVUZLCZTHPAGP-UHFFFAOYSA-N -1 1 496.639 4.968 50 30 JJEAMM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(NC(C)=O)cc2)ccc1O ZINC000004650384 194393370 /nfs/dbraw/zinc/39/33/70/194393370.db2.gz SUGCQQWPTODOCJ-QHCPKHFHSA-N -1 1 492.915 4.796 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(NC(C)=O)cc2)ccc1O ZINC000004650384 194393373 /nfs/dbraw/zinc/39/33/73/194393373.db2.gz SUGCQQWPTODOCJ-QHCPKHFHSA-N -1 1 492.915 4.796 50 30 JJEAMM N#Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)c2)cc1 ZINC000009636212 194839523 /nfs/dbraw/zinc/83/95/23/194839523.db2.gz VAJJIUPLNOFPKD-UHFFFAOYSA-N -1 1 489.525 4.691 50 30 JJEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102482932 130136464 /nfs/dbraw/zinc/13/64/64/130136464.db2.gz MISGFCNWVLDVBY-JBCNATCCSA-N -1 1 494.500 4.980 50 30 JJEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)o2)=C([O-])C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102486021 130140321 /nfs/dbraw/zinc/14/03/21/130140321.db2.gz BGBFVLRXMYQOIG-YDJIHCHBSA-N -1 1 464.474 4.972 50 30 JJEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102496861 130151099 /nfs/dbraw/zinc/15/10/99/130151099.db2.gz QIUFHWOAEUGKSX-HOGKFDNTSA-N -1 1 466.490 4.698 50 30 JJEAMM 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Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013142565 555341010 /nfs/dbraw/zinc/34/10/10/555341010.db2.gz QGMUJAJUHIUGKH-KKJJZKEWSA-N -1 1 459.553 4.599 50 30 JJEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])c1 ZINC000013387787 555393880 /nfs/dbraw/zinc/39/38/80/555393880.db2.gz QMCUGJBMMLAQSV-NRFANRHFSA-N -1 1 457.910 4.572 50 30 JJEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000009608756 555436661 /nfs/dbraw/zinc/43/66/61/555436661.db2.gz VYDSSDKQQLCOMU-SFHVURJKSA-N -1 1 469.607 4.736 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000013549245 555490803 /nfs/dbraw/zinc/49/08/03/555490803.db2.gz IIBWKGOIUVKWJD-KRWDZBQOSA-N -1 1 486.933 4.966 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000013571352 555509996 /nfs/dbraw/zinc/50/99/96/555509996.db2.gz JYFOQXWJFXUPDE-IBGZPJMESA-N -1 1 469.291 4.537 50 30 JJEAMM 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O=C(C1=C([O-])C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069925 569781133 /nfs/dbraw/zinc/78/11/33/569781133.db2.gz JJVHGVSSKMYLAW-NHFXJNLRSA-N -1 1 450.288 4.781 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000101075845 569781512 /nfs/dbraw/zinc/78/15/12/569781512.db2.gz QSPMKEAZALWWNR-YDJIHCHBSA-N -1 1 479.286 4.984 50 30 JJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000101313679 569792156 /nfs/dbraw/zinc/79/21/56/569792156.db2.gz QEDRSPWFUBFUGV-CBLITQMPSA-N -1 1 474.538 4.658 50 30 JJEAMM CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102863162 569825291 /nfs/dbraw/zinc/82/52/91/569825291.db2.gz QEAWLXMJXKHPGX-MRJHHRETSA-N -1 1 476.510 4.923 50 30 JJEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102863162 569825292 /nfs/dbraw/zinc/82/52/92/569825292.db2.gz QEAWLXMJXKHPGX-MRJHHRETSA-N -1 1 476.510 4.923 50 30 JJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000102871960 569826018 /nfs/dbraw/zinc/82/60/18/569826018.db2.gz TUUHDGFUCYALJF-CHDCXXRXSA-N -1 1 499.548 4.650 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000102871960 569826019 /nfs/dbraw/zinc/82/60/19/569826019.db2.gz TUUHDGFUCYALJF-CHDCXXRXSA-N -1 1 499.548 4.650 50 30 JJEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000102871951 569826038 /nfs/dbraw/zinc/82/60/38/569826038.db2.gz TUUHDGFUCYALJF-HPASZNQBSA-N -1 1 499.548 4.650 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000102871951 569826039 /nfs/dbraw/zinc/82/60/39/569826039.db2.gz TUUHDGFUCYALJF-HPASZNQBSA-N -1 1 499.548 4.650 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000103854552 569838564 /nfs/dbraw/zinc/83/85/64/569838564.db2.gz MZYUEFSJTCCOII-SBXHHDGASA-N 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CCOc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102860587 569824829 /nfs/dbraw/zinc/82/48/29/569824829.db2.gz VUHYGELJMZJCDW-GHNGSUTGSA-N -1 1 456.545 4.552 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102933482 569829015 /nfs/dbraw/zinc/82/90/15/569829015.db2.gz IUSSQSBXCJASLP-JBCNATCCSA-N -1 1 492.509 4.541 50 30 JJEAMM COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(-c4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000044974116 569839826 /nfs/dbraw/zinc/83/98/26/569839826.db2.gz XMFXBCMWEOVANN-OAQYLSRUSA-N -1 1 457.530 4.655 50 30 JJEAMM COC(=O)C[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000217986499 569882360 /nfs/dbraw/zinc/88/23/60/569882360.db2.gz MRQOQDNOCCOCKW-QHCPKHFHSA-N -1 1 498.531 4.781 50 30 JJEAMM Cc1cccc(NC(=O)C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2c[nH]c3ccccc23)c1 ZINC000252621879 570087446 /nfs/dbraw/zinc/08/74/46/570087446.db2.gz NIYCUNWIXLDQOA-UHFFFAOYSA-N -1 1 458.434 4.748 50 30 JJEAMM 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50 30 JJEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102681985 130236822 /nfs/dbraw/zinc/23/68/22/130236822.db2.gz FFHIEUJJQVUSNH-LNMXKIQISA-N -1 1 452.919 4.746 50 30 JJEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102694025 130240497 /nfs/dbraw/zinc/24/04/97/130240497.db2.gz UKVORGXONPFXMQ-AYWGPLOBSA-N -1 1 462.502 4.795 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102705591 130251472 /nfs/dbraw/zinc/25/14/72/130251472.db2.gz QCFFJNMTZAFAFV-NHFXJNLRSA-N -1 1 492.553 4.572 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102705591 130251474 /nfs/dbraw/zinc/25/14/74/130251474.db2.gz QCFFJNMTZAFAFV-NHFXJNLRSA-N -1 1 492.553 4.572 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000102708641 130254740 /nfs/dbraw/zinc/25/47/40/130254740.db2.gz BMRSRZKRIBVYID-ZHHPLPSFSA-N -1 1 462.502 4.750 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102711487 130258105 /nfs/dbraw/zinc/25/81/05/130258105.db2.gz AGULBIFGWAFXKI-HVESIFNPSA-N -1 1 468.918 4.518 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1C ZINC000102714708 130260878 /nfs/dbraw/zinc/26/08/78/130260878.db2.gz CTFGNUKEYXYIHX-NHFXJNLRSA-N -1 1 483.318 4.689 50 30 JJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102729901 130273799 /nfs/dbraw/zinc/27/37/99/130273799.db2.gz VKZIXKMYQOUOSA-ZHHPLPSFSA-N -1 1 462.502 4.715 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102800090 130309150 /nfs/dbraw/zinc/30/91/50/130309150.db2.gz FZRWOHGFIHHHOX-GHNGSUTGSA-N -1 1 482.945 4.908 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102803336 130310654 /nfs/dbraw/zinc/31/06/54/130310654.db2.gz VKBATUVFFKUWOS-GHNGSUTGSA-N -1 1 498.944 4.526 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102805246 130312985 /nfs/dbraw/zinc/31/29/85/130312985.db2.gz ZPVPGARNPSTKFF-IBOXJLQUSA-N -1 1 488.974 4.969 50 30 JJEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102805533 130313138 /nfs/dbraw/zinc/31/31/38/130313138.db2.gz GGMNCJLOKPFUKW-HVESIFNPSA-N -1 1 455.333 4.840 50 30 JJEAMM COc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102859869 130329951 /nfs/dbraw/zinc/32/99/51/130329951.db2.gz ABPVQVZEBGJRJY-YDJIHCHBSA-N -1 1 476.510 4.841 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102878412 130352643 /nfs/dbraw/zinc/35/26/43/130352643.db2.gz MHHFCYASJXAFNH-LFVOPCPISA-N -1 1 499.932 4.956 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102879040 130353259 /nfs/dbraw/zinc/35/32/59/130353259.db2.gz LOOVXXGSJPGNCJ-NHFXJNLRSA-N -1 1 479.514 4.693 50 30 JJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)o1 ZINC000102882341 130360819 /nfs/dbraw/zinc/36/08/19/130360819.db2.gz KEEFRFKZKYBRGY-WOOAAIBNSA-N -1 1 479.445 4.871 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102882811 130362115 /nfs/dbraw/zinc/36/21/15/130362115.db2.gz ZXPYJOQKVRXDHX-LFVOPCPISA-N -1 1 450.447 4.663 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102883057 130362705 /nfs/dbraw/zinc/36/27/05/130362705.db2.gz PIFWZVRORQEISB-JBCNATCCSA-N -1 1 487.493 4.839 50 30 JJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)o1 ZINC000102890918 130372292 /nfs/dbraw/zinc/37/22/92/130372292.db2.gz KMLZSCJLHKKZBX-LFVOPCPISA-N -1 1 490.566 4.753 50 30 JJEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Br)cn3)[C@H]2c2ccccc2)cc1 ZINC000102892390 130374137 /nfs/dbraw/zinc/37/41/37/130374137.db2.gz IAEHSKROKRMOSW-MRJHHRETSA-N -1 1 479.330 4.869 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Br)cn3)[C@H]2c2ccccc2)cc1 ZINC000102892390 130374142 /nfs/dbraw/zinc/37/41/42/130374142.db2.gz IAEHSKROKRMOSW-MRJHHRETSA-N -1 1 479.330 4.869 50 30 JJEAMM C=CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)nc1 ZINC000033138569 518937216 /nfs/dbraw/zinc/93/72/16/518937216.db2.gz VQSQZOLEOVBSCV-UHFFFAOYSA-N -1 1 479.627 4.828 50 30 JJEAMM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000002877160 518941168 /nfs/dbraw/zinc/94/11/68/518941168.db2.gz FCUFFVSSUGXZIH-UHFFFAOYSA-N -1 1 477.586 4.581 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000006144024 518978972 /nfs/dbraw/zinc/97/89/72/518978972.db2.gz OWICAQQSQXANNF-IBGZPJMESA-N -1 1 496.491 4.855 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)nc1C ZINC000006144035 518979393 /nfs/dbraw/zinc/97/93/93/518979393.db2.gz VTUSKBZXCYTRSY-LJQANCHMSA-N -1 1 478.501 4.716 50 30 JJEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 ZINC000009124425 519048482 /nfs/dbraw/zinc/04/84/82/519048482.db2.gz QRZSIYYMOIGMID-NYHFZMIOSA-N -1 1 474.538 4.814 50 30 JJEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009124425 519048490 /nfs/dbraw/zinc/04/84/90/519048490.db2.gz QRZSIYYMOIGMID-NYHFZMIOSA-N -1 1 474.538 4.814 50 30 JJEAMM C=CCn1c(Cc2csc(NC(=O)Cn3c(C)cc(-c4csc(C)n4)c3C)n2)n[n-]c1=S ZINC000025682145 519194118 /nfs/dbraw/zinc/19/41/18/519194118.db2.gz WPYPGJPPMNXLSD-UHFFFAOYSA-N -1 1 485.664 4.663 50 30 JJEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000009272996 519720748 /nfs/dbraw/zinc/72/07/48/519720748.db2.gz DCMUZGKCDJJKJH-JOCHJYFZSA-N -1 1 491.887 4.990 50 30 JJEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1ccncc1 ZINC000009781069 520258424 /nfs/dbraw/zinc/25/84/24/520258424.db2.gz IPXSLRIYXWGMTI-LJQANCHMSA-N -1 1 462.550 4.797 50 30 JJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000012487748 520331113 /nfs/dbraw/zinc/33/11/13/520331113.db2.gz QWCMPDSDUTVZMW-DEOSSOPVSA-N -1 1 458.514 4.970 50 30 JJEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000009508048 520470025 /nfs/dbraw/zinc/47/00/25/520470025.db2.gz KQIAPCUWVUBVIR-QHCPKHFHSA-N -1 1 478.501 4.572 50 30 JJEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000009508048 520470034 /nfs/dbraw/zinc/47/00/34/520470034.db2.gz KQIAPCUWVUBVIR-QHCPKHFHSA-N -1 1 478.501 4.572 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009271532 520881107 /nfs/dbraw/zinc/88/11/07/520881107.db2.gz DYNYZJVXPLCZKN-OAQYLSRUSA-N -1 1 464.543 4.950 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009135490 520884374 /nfs/dbraw/zinc/88/43/74/520884374.db2.gz HCIXHNGKGKUQSK-QFIPXVFZSA-N -1 1 494.569 4.959 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 ZINC000009110744 521482204 /nfs/dbraw/zinc/48/22/04/521482204.db2.gz XYPZYJIUWYCFNP-HSZRJFAPSA-N -1 1 457.482 4.655 50 30 JJEAMM CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cccnc2)cc1 ZINC000006135987 522249861 /nfs/dbraw/zinc/24/98/61/522249861.db2.gz GRJZNHLPYSYSJP-NRFANRHFSA-N -1 1 478.346 4.693 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(F)c2)nc1C ZINC000016730510 522420148 /nfs/dbraw/zinc/42/01/48/522420148.db2.gz MEPDOWFEXXRAAA-GOSISDBHSA-N -1 1 484.480 4.608 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009272221 523564927 /nfs/dbraw/zinc/56/49/27/523564927.db2.gz PQGLRAJRONZOTN-DEOSSOPVSA-N -1 1 475.497 4.504 50 30 JJEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000009453285 524052520 /nfs/dbraw/zinc/05/25/20/524052520.db2.gz DZNVPIQAWJAPDM-ASSNKEHSSA-N -1 1 461.543 4.515 50 30 JJEAMM COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(C)s4)[C@@H]3c3ccc(F)cc3)oc21 ZINC000009662828 524258193 /nfs/dbraw/zinc/25/81/93/524258193.db2.gz MOYSEVHTCTWWDH-GOSISDBHSA-N -1 1 465.462 4.523 50 30 JJEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009524340 524648506 /nfs/dbraw/zinc/64/85/06/524648506.db2.gz ZEGAMHMMDRANCU-HXUWFJFHSA-N -1 1 458.587 4.966 50 30 JJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000009242412 525050991 /nfs/dbraw/zinc/05/09/91/525050991.db2.gz MOYMDLXDJIRFPM-IBGZPJMESA-N -1 1 453.292 4.837 50 30 JJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000009070782 526030385 /nfs/dbraw/zinc/03/03/85/526030385.db2.gz VYAZCNPOQPOTSX-KRWDZBQOSA-N -1 1 455.333 4.997 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009380538 526269351 /nfs/dbraw/zinc/26/93/51/526269351.db2.gz AIPIYZZXGIEOCU-LJQANCHMSA-N -1 1 480.274 4.535 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009008812 526269587 /nfs/dbraw/zinc/26/95/87/526269587.db2.gz OPMJKSBYHUTASF-IBGZPJMESA-N -1 1 480.274 4.535 50 30 JJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)s1 ZINC000009488459 526353843 /nfs/dbraw/zinc/35/38/43/526353843.db2.gz QZXWQDJUMKLMQD-WYRIXSBYSA-N -1 1 467.934 4.606 50 30 JJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009046724 526824529 /nfs/dbraw/zinc/82/45/29/526824529.db2.gz WISZHUAGHHZQQN-GOSISDBHSA-N -1 1 465.418 4.720 50 30 JJEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccnc1 ZINC000004450720 527571927 /nfs/dbraw/zinc/57/19/27/527571927.db2.gz RWQGMRKFRYWTLL-HMILPKGGSA-N -1 1 485.515 4.986 50 30 JJEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccnc2)c(OC)c1 ZINC000000709361 553765389 /nfs/dbraw/zinc/76/53/89/553765389.db2.gz DRSMMPOUEPGFER-NRFANRHFSA-N -1 1 450.878 4.535 50 30 JJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccnc2)c(OC)c1 ZINC000000709361 553765392 /nfs/dbraw/zinc/76/53/92/553765392.db2.gz DRSMMPOUEPGFER-NRFANRHFSA-N -1 1 450.878 4.535 50 30 JJEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)nc1C ZINC000001136850 553915057 /nfs/dbraw/zinc/91/50/57/553915057.db2.gz RBEQDYAZWBBTOU-FQEVSTJZSA-N -1 1 462.527 4.759 50 30 JJEAMM O=C1C(=O)N(c2nc3ccccc3s2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccccc1 ZINC000001209052 553932970 /nfs/dbraw/zinc/93/29/70/553932970.db2.gz KGKKKPDPAPJUJE-HXUWFJFHSA-N -1 1 457.467 4.987 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001209052 553932973 /nfs/dbraw/zinc/93/29/73/553932973.db2.gz KGKKKPDPAPJUJE-HXUWFJFHSA-N -1 1 457.467 4.987 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000001219297 553934213 /nfs/dbraw/zinc/93/42/13/553934213.db2.gz FEOYXEWISFIAOL-IBGZPJMESA-N -1 1 453.267 4.766 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000001219298 553934274 /nfs/dbraw/zinc/93/42/74/553934274.db2.gz FEOYXEWISFIAOL-LJQANCHMSA-N -1 1 453.267 4.766 50 30 JJEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCCCCC(=O)[O-] ZINC000006459056 554542117 /nfs/dbraw/zinc/54/21/17/554542117.db2.gz BXQKVUIKHKQXNZ-NRFANRHFSA-N -1 1 457.910 4.572 50 30 JJEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cccnc2)cc1 ZINC000007059236 554563497 /nfs/dbraw/zinc/56/34/97/554563497.db2.gz YLQOVWRDAMZCPM-HXUWFJFHSA-N -1 1 465.303 4.636 50 30 JJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cccnc2)cc1 ZINC000007059236 554563498 /nfs/dbraw/zinc/56/34/98/554563498.db2.gz YLQOVWRDAMZCPM-HXUWFJFHSA-N -1 1 465.303 4.636 50 30 JJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008739417 554641215 /nfs/dbraw/zinc/64/12/15/554641215.db2.gz JVBHWWDETOEACI-KRWDZBQOSA-N -1 1 476.341 4.945 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000008741068 554643544 /nfs/dbraw/zinc/64/35/44/554643544.db2.gz IHSGSWKJPATOHN-QGZVFWFLSA-N -1 1 468.918 4.674 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000008743929 554647043 /nfs/dbraw/zinc/64/70/43/554647043.db2.gz GPNBRRHXJWFCIH-FQEVSTJZSA-N -1 1 492.553 4.728 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000008743929 554647045 /nfs/dbraw/zinc/64/70/45/554647045.db2.gz GPNBRRHXJWFCIH-FQEVSTJZSA-N -1 1 492.553 4.728 50 30 JJEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008779104 554675944 /nfs/dbraw/zinc/67/59/44/554675944.db2.gz ABIMLWPPUGCCKL-LJQANCHMSA-N -1 1 465.487 4.621 50 30 JJEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)nc1C ZINC000008779315 554676622 /nfs/dbraw/zinc/67/66/22/554676622.db2.gz OBCKEPPINNOBCH-QGZVFWFLSA-N -1 1 484.530 4.778 50 30 JJEAMM CC1(C)SC(=S)N(/N=C/c2ccc(Cl)cc2)[C@@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008817155 554699591 /nfs/dbraw/zinc/69/95/91/554699591.db2.gz LOLPAZYZDLHKLJ-BTZNOAQDSA-N -1 1 479.971 4.944 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008817982 554701204 /nfs/dbraw/zinc/70/12/04/554701204.db2.gz VWMOKENAXXTSGV-KRWDZBQOSA-N -1 1 486.908 4.814 50 30 JJEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000008837656 554738779 /nfs/dbraw/zinc/73/87/79/554738779.db2.gz SXVZBPHUDKWVIM-HXUWFJFHSA-N -1 1 450.516 4.560 50 30 JJEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000008845710 554743639 /nfs/dbraw/zinc/74/36/39/554743639.db2.gz RKQMRZCCVZLPRA-JLCFBVMHSA-N -1 1 491.569 4.742 50 30 JJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008845710 554743640 /nfs/dbraw/zinc/74/36/40/554743640.db2.gz RKQMRZCCVZLPRA-JLCFBVMHSA-N -1 1 491.569 4.742 50 30 JJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000008914815 554807868 /nfs/dbraw/zinc/80/78/68/554807868.db2.gz XJWUYWMVMTZLGG-INIZCTEOSA-N -1 1 459.296 4.828 50 30 JJEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008915078 554808442 /nfs/dbraw/zinc/80/84/42/554808442.db2.gz NXQKCXJYRYFASB-NRFANRHFSA-N -1 1 450.878 4.984 50 30 JJEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000008918984 554816085 /nfs/dbraw/zinc/81/60/85/554816085.db2.gz GBXAWFKVINVHFZ-IBGZPJMESA-N -1 1 470.934 4.910 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(O)c2)cc1 ZINC000009008012 554861833 /nfs/dbraw/zinc/86/18/33/554861833.db2.gz CRRLHXHNTNYYDW-HXUWFJFHSA-N -1 1 450.516 4.647 50 30 JJEAMM CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009008006 554861891 /nfs/dbraw/zinc/86/18/91/554861891.db2.gz VGSYBSRNCOOJEP-FQEVSTJZSA-N -1 1 450.516 4.647 50 30 JJEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])c1 ZINC000013387788 555393885 /nfs/dbraw/zinc/39/38/85/555393885.db2.gz QMCUGJBMMLAQSV-OAQYLSRUSA-N -1 1 457.910 4.572 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000013549247 555490782 /nfs/dbraw/zinc/49/07/82/555490782.db2.gz IIBWKGOIUVKWJD-QGZVFWFLSA-N -1 1 486.933 4.966 50 30 JJEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000013569339 555507475 /nfs/dbraw/zinc/50/74/75/555507475.db2.gz GKSBEDANQVBXKN-KRWDZBQOSA-N -1 1 455.333 4.997 50 30 JJEAMM COc1ccccc1[C@H]1c2c(=O)[n-]c(SCc3ccc([N+](=O)[O-])cc3)nc2NC2=C1C(=O)CCC2 ZINC000016973126 556192156 /nfs/dbraw/zinc/19/21/56/556192156.db2.gz BDFGECNOTCTIAD-HXUWFJFHSA-N -1 1 490.541 4.956 50 30 JJEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000019787705 556369960 /nfs/dbraw/zinc/36/99/60/556369960.db2.gz GOLPBZUTFNQREN-FQEVSTJZSA-N -1 1 472.335 4.672 50 30 JJEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000032655180 556466167 /nfs/dbraw/zinc/46/61/67/556466167.db2.gz QEHBLUMPJOVLTJ-OAQYLSRUSA-N -1 1 489.597 4.977 50 30 JJEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000008694727 569593280 /nfs/dbraw/zinc/59/32/80/569593280.db2.gz XNLDLILOCXJKGA-NRFANRHFSA-N -1 1 486.362 4.981 50 30 JJEAMM CCOC(=O)C1CCN(Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2cc4ccccc4o2)O3)CC1 ZINC000094993329 569721521 /nfs/dbraw/zinc/72/15/21/569721521.db2.gz HIDRGBPOIBUVKZ-UCQKPKSFSA-N -1 1 461.514 4.838 50 30 JJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000100446444 569761413 /nfs/dbraw/zinc/76/14/13/569761413.db2.gz RVCAXXMXMUMITE-LFVOPCPISA-N -1 1 453.292 4.680 50 30 JJEAMM C=CCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Br)cc3)C2)c1=O ZINC000101239072 569787819 /nfs/dbraw/zinc/78/78/19/569787819.db2.gz NQKKNEFYLSAISN-GOSISDBHSA-N -1 1 484.375 4.549 50 30 JJEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000101502676 569800948 /nfs/dbraw/zinc/80/09/48/569800948.db2.gz RVBMHYDVZTXGQJ-MOBKVPTQSA-N -1 1 491.887 4.833 50 30 JJEAMM N#C[C@@H](C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1nc2ccccc2s1 ZINC000040162321 569822957 /nfs/dbraw/zinc/82/29/57/569822957.db2.gz HSNYFSASELDOLF-SFHVURJKSA-N -1 1 451.504 4.726 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102862670 569825241 /nfs/dbraw/zinc/82/52/41/569825241.db2.gz WKHKEJZXAPCLAA-WOOAAIBNSA-N -1 1 480.517 4.702 50 30 JJEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102862670 569825242 /nfs/dbraw/zinc/82/52/42/569825242.db2.gz WKHKEJZXAPCLAA-WOOAAIBNSA-N -1 1 480.517 4.702 50 30 JJEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102863884 569825471 /nfs/dbraw/zinc/82/54/71/569825471.db2.gz PQNZZJKRFSEQAD-YDJIHCHBSA-N -1 1 468.506 4.630 50 30 JJEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102863884 569825472 /nfs/dbraw/zinc/82/54/72/569825472.db2.gz PQNZZJKRFSEQAD-YDJIHCHBSA-N -1 1 468.506 4.630 50 30 JJEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102927707 569826988 /nfs/dbraw/zinc/82/69/88/569826988.db2.gz PMQJHCHJBVUKAD-NHFXJNLRSA-N -1 1 462.483 4.533 50 30 JJEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102928402 569827159 /nfs/dbraw/zinc/82/71/59/569827159.db2.gz LKKNZHSHQOCTRJ-GHNGSUTGSA-N -1 1 498.944 4.526 50 30 JJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102929463 569827572 /nfs/dbraw/zinc/82/75/72/569827572.db2.gz YPFXJIOTYDRTQM-MRJHHRETSA-N -1 1 464.543 4.794 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@@H]2c2cccc(F)c2)cc1 ZINC000103854564 569838586 /nfs/dbraw/zinc/83/85/86/569838586.db2.gz OSSVFVIGRBEAOO-AYWGPLOBSA-N -1 1 475.472 4.637 50 30 JJEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc(F)c2)cc1 ZINC000103854564 569838587 /nfs/dbraw/zinc/83/85/87/569838587.db2.gz OSSVFVIGRBEAOO-AYWGPLOBSA-N -1 1 475.472 4.637 50 30 JJEAMM