smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(I)c(O)c(OC)c3)C2=O)cc1 ZINC000001197283 551622607 /nfs/dbraw/zinc/62/26/07/551622607.db2.gz BAKLVAIULKZLDC-VGOFMYFVSA-N -1 0 508.268 2.676 50 10 KFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OC)c(OC)c3)C2=O)cc1 ZINC000001202298 551623864 /nfs/dbraw/zinc/62/38/64/551623864.db2.gz SLBXBRTVDVQPQF-RIYZIHGNSA-N -1 0 508.268 2.983 50 10 KFCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000001205323 551624450 /nfs/dbraw/zinc/62/44/50/551624450.db2.gz VJNOCBLGWQRURT-UHFFFAOYSA-N -1 0 523.239 2.536 50 10 KFCARM Cc1c(N2C(=O)/C(=C3/c4ccccc4N(CC(=O)[O-])C3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001799918 551703242 /nfs/dbraw/zinc/70/32/42/551703242.db2.gz IMKPYTCMVJEEEH-CZIZESTLSA-N -1 0 506.565 2.692 50 10 KFCARM Cc1c(N2C(=O)/C(=C3\c4ccccc4N(CC(=O)[O-])C3=O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001799921 551703474 /nfs/dbraw/zinc/70/34/74/551703474.db2.gz IMKPYTCMVJEEEH-ZZEZOPTASA-N -1 0 506.565 2.692 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(NC[C@H](O)c3ccccc3)nc12 ZINC000001885434 551725498 /nfs/dbraw/zinc/72/54/98/551725498.db2.gz WANOVQFEUNAHFM-KMTKGMGQSA-N -1 0 510.597 2.824 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(NC[C@@H](O)c3ccccc3)nc12 ZINC000001885438 551725471 /nfs/dbraw/zinc/72/54/71/551725471.db2.gz WANOVQFEUNAHFM-ZCWPUFOUSA-N -1 0 510.597 2.824 50 10 KFCARM O=C(CN1C(=O)/C(=C2/SC(=S)N(CCS(=O)(=O)[O-])C2=O)c2ccccc21)Nc1cccc(Br)c1 ZINC000001904075 551731685 /nfs/dbraw/zinc/73/16/85/551731685.db2.gz IQWKHNPYLCUEJX-ISLYRVAYSA-N -1 0 582.479 2.894 50 10 KFCARM O=C(CN1C(=O)/C(=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)c2ccccc21)Nc1cccc(Br)c1 ZINC000001904079 551731673 /nfs/dbraw/zinc/73/16/73/551731673.db2.gz IQWKHNPYLCUEJX-ZCXUNETKSA-N -1 0 582.479 2.894 50 10 KFCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3c(CCN(C)C(C)=O)cc4c(c3OC)OCO4)C2=O)c1 ZINC000002129485 551772425 /nfs/dbraw/zinc/77/24/25/551772425.db2.gz RWCBQEOMUUAHTJ-LDADJPATSA-N -1 0 525.514 2.969 50 10 biogenic KFCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3c(CCN(C)C(C)=O)cc4c(c3OC)OCO4)C2=O)c1 ZINC000002129487 551772397 /nfs/dbraw/zinc/77/23/97/551772397.db2.gz RWCBQEOMUUAHTJ-PDGQHHTCSA-N -1 0 525.514 2.969 50 10 biogenic KFCARM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000002175486 551783261 /nfs/dbraw/zinc/78/32/61/551783261.db2.gz PYPKOANXWUPAHU-HYARGMPZSA-N -1 0 524.624 2.972 50 10 KFCARM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)Nc3ccc(O)c(C(=O)[O-])c3)ccc1OCC)[nH]c2=O ZINC000002274417 552086097 /nfs/dbraw/zinc/08/60/97/552086097.db2.gz HQWXZTRYIWULAX-UHFFFAOYSA-N -1 0 527.559 2.879 50 10 in-vitro KFCARM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000002375760 552106458 /nfs/dbraw/zinc/10/64/58/552106458.db2.gz RFNFKFPCOYYTFA-XYSGSMRZSA-N -1 0 511.332 2.771 50 10 KFCARM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000002375764 552106428 /nfs/dbraw/zinc/10/64/28/552106428.db2.gz RFNFKFPCOYYTFA-WPNIOXTASA-N -1 0 511.332 2.771 50 10 KFCARM O=C([O-])CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC1=S ZINC000002533615 552128078 /nfs/dbraw/zinc/12/80/78/552128078.db2.gz BCDLFRIOCGREND-STZFKDTASA-N -1 0 570.674 2.846 50 10 KFCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000002948754 552228458 /nfs/dbraw/zinc/22/84/58/552228458.db2.gz OIQACNVKOZBGGC-UHFFFAOYSA-N -1 0 509.334 2.673 50 10 KFCARM CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)ccc1O ZINC000006023940 552520535 /nfs/dbraw/zinc/52/05/35/552520535.db2.gz GCPJAOGXQAWWAA-SFHVURJKSA-N -1 0 529.493 2.550 50 10 KFCARM CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)ccc1O ZINC000006023941 552520684 /nfs/dbraw/zinc/52/06/84/552520684.db2.gz GCPJAOGXQAWWAA-GOSISDBHSA-N -1 0 529.493 2.550 50 10 KFCARM CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1O ZINC000006142831 552544123 /nfs/dbraw/zinc/54/41/23/552544123.db2.gz QGXLOGAUGAFKPL-KRWDZBQOSA-N -1 0 516.450 2.805 50 10 KFCARM CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1O ZINC000006142832 552544285 /nfs/dbraw/zinc/54/42/85/552544285.db2.gz QGXLOGAUGAFKPL-QGZVFWFLSA-N -1 0 516.450 2.805 50 10 KFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\NN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000008424754 553014147 /nfs/dbraw/zinc/01/41/47/553014147.db2.gz UQEXLKFTQQPHJS-WJDWOHSUSA-N -1 0 505.284 2.870 50 10 KFCARM COc1cc(/C=C2/C(C)=NN(c3cccc(C(=O)[O-])c3)C2=O)cc(I)c1OCC(N)=O ZINC000008432741 553027126 /nfs/dbraw/zinc/02/71/26/553027126.db2.gz BTXUSFHXEGSKGQ-UUASQNMZSA-N -1 0 535.294 2.668 50 10 KFCARM O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1 ZINC000008740431 553132167 /nfs/dbraw/zinc/13/21/67/553132167.db2.gz NTIIWAQYKGZSTR-FDWYHIAWSA-N -1 0 517.327 2.885 50 10 biogenic KFCARM O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1 ZINC000008740432 553132123 /nfs/dbraw/zinc/13/21/23/553132123.db2.gz NTIIWAQYKGZSTR-MTMYEVCSSA-N -1 0 517.327 2.885 50 10 biogenic KFCARM CCOc1cccc(N2C(=O)/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000008843326 553165246 /nfs/dbraw/zinc/16/52/46/553165246.db2.gz KCXPKYVSLBXVMH-HMAPJEAMSA-N -1 0 518.595 2.730 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(NCCN3CCOCC3)nc12 ZINC000008872540 553173492 /nfs/dbraw/zinc/17/34/92/553173492.db2.gz FEHLZQHKFSOPMN-MNDPQUGUSA-N -1 0 545.687 2.593 50 10 KFCARM Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(=O)n2c1 ZINC000008872581 553173552 /nfs/dbraw/zinc/17/35/52/553173552.db2.gz WKYZCLTWKHVWQS-LGMDPLHJSA-N -1 0 502.618 2.686 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(NCCCN3CCOCC3)nc12 ZINC000008872619 553173813 /nfs/dbraw/zinc/17/38/13/553173813.db2.gz XHYPFHHAWFJRQJ-JZJYNLBNSA-N -1 0 559.714 2.983 50 10 KFCARM O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)/C1=C/NN1CCCC[C@@H]1c1cccnc1 ZINC000009108905 553209640 /nfs/dbraw/zinc/20/96/40/553209640.db2.gz NTIIWAQYKGZSTR-VJSYINPZSA-N -1 0 517.327 2.885 50 10 KFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 ZINC000009259926 553227982 /nfs/dbraw/zinc/22/79/82/553227982.db2.gz VGKPOZYHSLLKAS-PXLXIMEGSA-N -1 0 502.527 2.565 50 10 KFCARM COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009310478 553238951 /nfs/dbraw/zinc/23/89/51/553238951.db2.gz GAOSHMCZRVWUKF-CAOOACKPSA-N -1 0 503.514 2.907 50 10 KFCARM COc1ccc(N2C(=O)/C(=C\c3cc(I)c(O)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000009311141 553239244 /nfs/dbraw/zinc/23/92/44/553239244.db2.gz MBGAQWDWXUFVQW-QPEQYQDCSA-N -1 0 510.309 2.845 50 10 KFCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(CCN(C)C(C)=O)cc3c(c2OC)OCO3)C1=O ZINC000009353833 553245640 /nfs/dbraw/zinc/24/56/40/553245640.db2.gz XHTUELHEYDUVKU-AQTBWJFISA-N -1 0 509.515 2.714 50 10 biogenic KFCARM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1 ZINC000009892471 553314899 /nfs/dbraw/zinc/31/48/99/553314899.db2.gz FPGBOAFEBLHQHK-HYARGMPZSA-N -1 0 502.527 2.565 50 10 KFCARM CCc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)[N-]C1=S ZINC000012363702 553359456 /nfs/dbraw/zinc/35/94/56/553359456.db2.gz DEXGSZXUAMEZOI-RCCKNPSSSA-N -1 0 502.596 2.894 50 10 KFCARM O=C([O-])CCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2NC[C@H](O)c2ccccc2)SC1=S ZINC000013806851 553491754 /nfs/dbraw/zinc/49/17/54/553491754.db2.gz YIOOXBPAPJRQNB-XIDKLXSXSA-N -1 0 510.597 2.906 50 10 KFCARM O=C([O-])CCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2NC[C@@H](O)c2ccccc2)SC1=S ZINC000013806854 553491791 /nfs/dbraw/zinc/49/17/91/553491791.db2.gz YIOOXBPAPJRQNB-GFWHJHDHSA-N -1 0 510.597 2.906 50 10 KFCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(N)=O ZINC000013915021 553495606 /nfs/dbraw/zinc/49/56/06/553495606.db2.gz GNMDSCYDLWWXRM-NVNXTCNLSA-N -1 0 502.321 2.687 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(N3CCN(C)CC3)nc12 ZINC000016713622 553575173 /nfs/dbraw/zinc/57/51/73/553575173.db2.gz FQFWJFLZVAUUFY-SDXDJHTJSA-N -1 0 515.661 2.601 50 10 KFCARM O=C([O-])CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccccc3)CC2)SC1=S ZINC000016734282 553578505 /nfs/dbraw/zinc/57/85/05/553578505.db2.gz KYMQOTKSALJZDJ-MNDPQUGUSA-N -1 0 521.624 2.697 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 ZINC000016741564 553579799 /nfs/dbraw/zinc/57/97/99/553579799.db2.gz CJAJITXNFYZALM-IGIWSDCRSA-N -1 0 502.618 2.683 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(N3C[C@@H](C)O[C@@H](C)C3)nc12 ZINC000016741566 553579706 /nfs/dbraw/zinc/57/97/06/553579706.db2.gz CJAJITXNFYZALM-PGICLHPDSA-N -1 0 502.618 2.683 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 ZINC000016741567 553579779 /nfs/dbraw/zinc/57/97/79/553579779.db2.gz CJAJITXNFYZALM-MFUVWIPLSA-N -1 0 502.618 2.683 50 10 KFCARM O=C([O-])CCCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S ZINC000016805557 553583072 /nfs/dbraw/zinc/58/30/72/553583072.db2.gz RUYCYHIVXVJYDQ-DQRAZIAOSA-N -1 0 509.609 2.828 50 10 KFCARM Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(=O)n2c1 ZINC000016805825 553583053 /nfs/dbraw/zinc/58/30/53/553583053.db2.gz ORYQQRIMNOXWQY-JXAWBTAJSA-N -1 0 515.661 2.601 50 10 KFCARM COc1ccc(N2CCN(C(=O)c3cncc([N-]S(=O)(=O)c4ccc(NC(C)=O)cc4)c3)CC2)cc1 ZINC000021931304 553722338 /nfs/dbraw/zinc/72/23/38/553722338.db2.gz IVPISXMBMCBXSA-UHFFFAOYSA-N -1 0 509.588 2.812 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000033354123 553928398 /nfs/dbraw/zinc/92/83/98/553928398.db2.gz QHAZCFZQHMWRTK-UYRXBGFRSA-N -1 0 539.614 2.754 50 10 KFCARM CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1\C(C)=NN(c2ccc(C(=O)[O-])cc2)C1=O ZINC000033354227 553929024 /nfs/dbraw/zinc/92/90/24/553929024.db2.gz HOOQVAKHGZXUSM-CBAIGBLSSA-N -1 0 522.608 2.518 50 10 KFCARM Cc1ccc2nc(NCCCn3ccnc3)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(=O)n2c1 ZINC000036006912 554131877 /nfs/dbraw/zinc/13/18/77/554131877.db2.gz INYLMKWNJQUDTM-ATVHPVEESA-N -1 0 512.617 2.768 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(NCCCn3ccnc3)nc12 ZINC000036006958 554131905 /nfs/dbraw/zinc/13/19/05/554131905.db2.gz IJYHPQJRUDANQY-LGMDPLHJSA-N -1 0 512.617 2.768 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)[O-])C3=O)c(NCCCn3ccnc3)nc12 ZINC000036684811 554230452 /nfs/dbraw/zinc/23/04/52/554230452.db2.gz IJYHPQJRUDANQY-GHRIWEEISA-N -1 0 512.617 2.768 50 10 KFCARM O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000049745270 554324804 /nfs/dbraw/zinc/32/48/04/554324804.db2.gz ZDENYKJDBBSGDF-JWGURIENSA-N -1 0 620.756 2.649 50 10 KFCARM COc1c2c(cc(CCN(C)C(C)=O)c1/C=C1/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C1=O)OCO2 ZINC000070686841 553605838 /nfs/dbraw/zinc/60/58/38/553605838.db2.gz CHEQEKDFHVIFOO-WQRHYEAKSA-N -1 0 544.358 2.874 50 10 biogenic KFCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(CCN(C)C(C)=O)cc3c(c2OC)OCO3)C1=O ZINC000085896107 553690900 /nfs/dbraw/zinc/69/09/00/553690900.db2.gz XHTUELHEYDUVKU-QGOAFFKASA-N -1 0 509.515 2.510 50 10 biogenic KFCARM COc1c2c(cc(CCN(C)C(C)=O)c1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C1=O)OCO2 ZINC000085898450 553690944 /nfs/dbraw/zinc/69/09/44/553690944.db2.gz CHEQEKDFHVIFOO-WOJGMQOQSA-N -1 0 544.358 2.874 50 10 biogenic KFCARM NC(=O)COc1cccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 ZINC000096221137 553730261 /nfs/dbraw/zinc/73/02/61/553730261.db2.gz IXMRVIBHYUCERV-AWEZNQCLSA-N -1 0 505.435 2.588 50 10 biogenic KFCARM NC(=O)COc1cccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 ZINC000096221138 553730169 /nfs/dbraw/zinc/73/01/69/553730169.db2.gz IXMRVIBHYUCERV-CQSZACIVSA-N -1 0 505.435 2.588 50 10 biogenic KFCARM COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc1OC ZINC000096221390 553730692 /nfs/dbraw/zinc/73/06/92/553730692.db2.gz IHZHENSDJPWTSW-GOSISDBHSA-N -1 0 505.527 2.709 50 10 biogenic KFCARM COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc1OC ZINC000096221392 553730711 /nfs/dbraw/zinc/73/07/11/553730711.db2.gz IHZHENSDJPWTSW-SFHVURJKSA-N -1 0 505.527 2.709 50 10 biogenic KFCARM COC(=O)C[C@@H](c1cnn2cccnc12)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000096221638 553730732 /nfs/dbraw/zinc/73/07/32/553730732.db2.gz JEUCHJCHFIJADB-LBPRGKRZSA-N -1 0 505.439 2.726 50 10 biogenic KFCARM COC(=O)C[C@H](c1cnn2cccnc12)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000096221639 553730580 /nfs/dbraw/zinc/73/05/80/553730580.db2.gz JEUCHJCHFIJADB-GFCCVEGCSA-N -1 0 505.439 2.726 50 10 biogenic KFCARM Cn1c2ccc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)cc2n(C)c1=O ZINC000096221847 553730957 /nfs/dbraw/zinc/73/09/57/553730957.db2.gz WSYVLGSHJXBAMJ-ZDUSSCGKSA-N -1 0 516.462 2.914 50 10 biogenic KFCARM Cn1c2ccc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)cc2n(C)c1=O ZINC000096221848 553730815 /nfs/dbraw/zinc/73/08/15/553730815.db2.gz WSYVLGSHJXBAMJ-CYBMUJFWSA-N -1 0 516.462 2.914 50 10 biogenic KFCARM CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CC(=O)[O-])C3=O)c3ccccc32)cc1 ZINC000097946423 553779266 /nfs/dbraw/zinc/77/92/66/553779266.db2.gz HPZRCSKPRASYIO-VXPUYCOJSA-N -1 0 525.564 2.505 50 10 KFCARM CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)CC1 ZINC000097946771 553781626 /nfs/dbraw/zinc/78/16/26/553781626.db2.gz OMOKHHNYJMEQEN-JXAWBTAJSA-N -1 0 544.655 2.848 50 10 KFCARM O=C([O-])CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000097947257 553784978 /nfs/dbraw/zinc/78/49/78/553784978.db2.gz OZAMZCMIURCMAB-CYVLTUHYSA-N -1 0 539.614 2.836 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000097947282 553785169 /nfs/dbraw/zinc/78/51/69/553785169.db2.gz UKSOSMMPAVEXCM-UYRXBGFRSA-N -1 0 539.614 2.754 50 10 KFCARM Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(=O)n2c1 ZINC000097947287 553785161 /nfs/dbraw/zinc/78/51/61/553785161.db2.gz BMHQLNYIJSPHTL-UNOMPAQXSA-N -1 0 539.614 2.754 50 10 KFCARM Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(=O)n2c1 ZINC000097947301 553785198 /nfs/dbraw/zinc/78/51/98/553785198.db2.gz IFWOPVZEEQDNDV-UNOMPAQXSA-N -1 0 539.614 2.754 50 10 KFCARM O=C([O-])CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000097947611 553787558 /nfs/dbraw/zinc/78/75/58/553787558.db2.gz VEEHILDCYSKASI-CYVLTUHYSA-N -1 0 539.614 2.836 50 10 KFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)C2=O)cc1 ZINC000097962175 553883584 /nfs/dbraw/zinc/88/35/84/553883584.db2.gz UDHXIJVBCWUDRE-XLNRJJMWSA-N -1 0 617.619 2.861 50 10 KFCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000097967839 553924085 /nfs/dbraw/zinc/92/40/85/553924085.db2.gz IDSLIDSIAHXGRD-QYAIIROKSA-N -1 0 571.590 2.518 50 10 KFCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000097967840 553924164 /nfs/dbraw/zinc/92/41/64/553924164.db2.gz IDSLIDSIAHXGRD-UWUFYVNFSA-N -1 0 571.590 2.518 50 10 KFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]3CCCN43)C2=O)c1 ZINC000097967882 553924501 /nfs/dbraw/zinc/92/45/01/553924501.db2.gz NTNMIPQDOQQOQK-WVWKGNOCSA-N -1 0 557.563 2.764 50 10 KFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]3CCCN43)C2=O)c1 ZINC000097967883 553924456 /nfs/dbraw/zinc/92/44/56/553924456.db2.gz NTNMIPQDOQQOQK-IMEWXKHHSA-N -1 0 557.563 2.764 50 10 KFCARM C[C@@H](CCc1ccccc1)N1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000097967959 553925633 /nfs/dbraw/zinc/92/56/33/553925633.db2.gz FYZXSIGZVOXJIX-GZMFWOMFSA-N -1 0 583.645 2.731 50 10 KFCARM C[C@H](CCc1ccccc1)N1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000097967960 553925670 /nfs/dbraw/zinc/92/56/70/553925670.db2.gz FYZXSIGZVOXJIX-ZISVAXDRSA-N -1 0 583.645 2.731 50 10 KFCARM C[C@@H](CCc1ccccc1)N1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000097967961 553925854 /nfs/dbraw/zinc/92/58/54/553925854.db2.gz FYZXSIGZVOXJIX-FBEFIZPRSA-N -1 0 583.645 2.731 50 10 KFCARM C[C@H](CCc1ccccc1)N1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000097967962 553925614 /nfs/dbraw/zinc/92/56/14/553925614.db2.gz FYZXSIGZVOXJIX-CNJVFQIESA-N -1 0 583.645 2.731 50 10 KFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]3CCCN43)C2=O)c1C ZINC000097967963 553925705 /nfs/dbraw/zinc/92/57/05/553925705.db2.gz CUANXTZTXASFEI-POEBIKTISA-N -1 0 555.591 2.736 50 10 KFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]3CCCN43)C2=O)c1C ZINC000097967964 553925849 /nfs/dbraw/zinc/92/58/49/553925849.db2.gz CUANXTZTXASFEI-YSSBIZNGSA-N -1 0 555.591 2.736 50 10 KFCARM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000097967998 553926219 /nfs/dbraw/zinc/92/62/19/553926219.db2.gz QOFYDJSPNGPBTG-XYSGSMRZSA-N -1 0 558.332 2.613 50 10 KFCARM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O ZINC000097967999 553926111 /nfs/dbraw/zinc/92/61/11/553926111.db2.gz QOFYDJSPNGPBTG-WPNIOXTASA-N -1 0 558.332 2.613 50 10 KFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]3CCCN43)C2=O)cc1 ZINC000097968054 553927188 /nfs/dbraw/zinc/92/71/88/553927188.db2.gz HVEYVVJMWORFFO-JDCXBEBJSA-N -1 0 571.590 2.518 50 10 KFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]3CCCN43)C2=O)cc1 ZINC000097968055 553927021 /nfs/dbraw/zinc/92/70/21/553927021.db2.gz HVEYVVJMWORFFO-QFVBLGFASA-N -1 0 571.590 2.518 50 10 KFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]3CCCN43)C2=O)c(C)c1 ZINC000097968150 553928258 /nfs/dbraw/zinc/92/82/58/553928258.db2.gz HISIBDXFXOVFTN-POEBIKTISA-N -1 0 555.591 2.736 50 10 KFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]3CCCN43)C2=O)c(C)c1 ZINC000097968151 553928301 /nfs/dbraw/zinc/92/83/01/553928301.db2.gz HISIBDXFXOVFTN-YSSBIZNGSA-N -1 0 555.591 2.736 50 10 KFCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]3CCCN43)C2=O)c1 ZINC000097968166 553928642 /nfs/dbraw/zinc/92/86/42/553928642.db2.gz OTFZEVXYQQWDNP-XOYGFPHKSA-N -1 0 555.591 2.736 50 10 KFCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]3CCCN43)C2=O)c1 ZINC000097968167 553928786 /nfs/dbraw/zinc/92/87/86/553928786.db2.gz OTFZEVXYQQWDNP-YJADQXIJSA-N -1 0 555.591 2.736 50 10 KFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]3CCCN43)C2=O)cc1C ZINC000097968170 553928798 /nfs/dbraw/zinc/92/87/98/553928798.db2.gz XJXGPFZIQNKOSD-XOYGFPHKSA-N -1 0 555.591 2.736 50 10 KFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]3CCCN43)C2=O)cc1C ZINC000097968171 553928850 /nfs/dbraw/zinc/92/88/50/553928850.db2.gz XJXGPFZIQNKOSD-YJADQXIJSA-N -1 0 555.591 2.736 50 10 KFCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=O)N(c5ccc(Cl)cc5)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000097968174 553928723 /nfs/dbraw/zinc/92/87/23/553928723.db2.gz DRKBQPRJNFZVJT-UBXANZILSA-N -1 0 561.982 2.773 50 10 KFCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=O)N(c5ccc(Cl)cc5)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000097968175 553928603 /nfs/dbraw/zinc/92/86/03/553928603.db2.gz DRKBQPRJNFZVJT-YMFQVDJJSA-N -1 0 561.982 2.773 50 10 KFCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)[N-]C(=O)N(CCC5=CCCCC5)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000097968250 553929627 /nfs/dbraw/zinc/92/96/27/553929627.db2.gz CVRDOBSCIWWNLL-BTZCDPCDSA-N -1 0 559.623 2.601 50 10 KFCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)[N-]C(=O)N(CCC5=CCCCC5)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000097968251 553929529 /nfs/dbraw/zinc/92/95/29/553929529.db2.gz CVRDOBSCIWWNLL-HWYOBBEWSA-N -1 0 559.623 2.601 50 10 KFCARM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]3CCCN43)C2=O)c1 ZINC000097968312 553930331 /nfs/dbraw/zinc/93/03/31/553930331.db2.gz QDAOMBVLIZUCNM-POEBIKTISA-N -1 0 555.591 2.736 50 10 KFCARM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]3CCCN43)C2=O)c1 ZINC000097968313 553930335 /nfs/dbraw/zinc/93/03/35/553930335.db2.gz QDAOMBVLIZUCNM-YSSBIZNGSA-N -1 0 555.591 2.736 50 10 KFCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=O)N(c5ccccc5Cl)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000097968402 553931941 /nfs/dbraw/zinc/93/19/41/553931941.db2.gz LTERSYGJDRXPRF-RYEVTAHJSA-N -1 0 561.982 2.773 50 10 KFCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=O)N(c5ccccc5Cl)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000097968403 553931999 /nfs/dbraw/zinc/93/19/99/553931999.db2.gz LTERSYGJDRXPRF-ZDJZVTAXSA-N -1 0 561.982 2.773 50 10 KFCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=O)N(c5cccc(Cl)c5)C4=O)ccc3N3CCC[C@@H]32)C1=O ZINC000097968434 553932523 /nfs/dbraw/zinc/93/25/23/553932523.db2.gz FFSNXTILDSMVOT-PRWBYUBPSA-N -1 0 561.982 2.773 50 10 KFCARM CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=O)N(c5cccc(Cl)c5)C4=O)ccc3N3CCC[C@H]32)C1=O ZINC000097968435 553932556 /nfs/dbraw/zinc/93/25/56/553932556.db2.gz FFSNXTILDSMVOT-SRKIZSPNSA-N -1 0 561.982 2.773 50 10 KFCARM COC(=O)C[C@@H](c1ccc(OCC(N)=O)cc1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971969 553964679 /nfs/dbraw/zinc/96/46/79/553964679.db2.gz OVIYREYKTPRMLS-HNNXBMFYSA-N -1 0 537.477 2.547 50 10 biogenic KFCARM COC(=O)C[C@H](c1ccc(OCC(N)=O)cc1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971970 553964635 /nfs/dbraw/zinc/96/46/35/553964635.db2.gz OVIYREYKTPRMLS-OAHLLOKOSA-N -1 0 537.477 2.547 50 10 biogenic KFCARM COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972041 553965312 /nfs/dbraw/zinc/96/53/12/553965312.db2.gz RSNQAKWUNCACST-CQSZACIVSA-N -1 0 548.504 2.873 50 10 biogenic KFCARM COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097972042 553965342 /nfs/dbraw/zinc/96/53/42/553965342.db2.gz RSNQAKWUNCACST-AWEZNQCLSA-N -1 0 548.504 2.873 50 10 biogenic KFCARM C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C2CC2)CCN1/N=N/c1ccc(S(N)(=O)=O)cc1 ZINC000100032712 554187126 /nfs/dbraw/zinc/18/71/26/554187126.db2.gz YVHJBZKSISIGNR-OUDCYCMLSA-N -1 0 555.573 2.800 50 10 KFCARM C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C2CC2)CCN1/N=N/c1ccc(S(N)(=O)=O)cc1 ZINC000100032716 554187155 /nfs/dbraw/zinc/18/71/55/554187155.db2.gz YVHJBZKSISIGNR-XFJJUJPYSA-N -1 0 555.573 2.800 50 10 KFCARM CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1OC ZINC000100164625 554235812 /nfs/dbraw/zinc/23/58/12/554235812.db2.gz LLKXQHBUPFFKEA-YBEGLDIGSA-N -1 0 522.295 2.703 50 10 KFCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000100165788 554236452 /nfs/dbraw/zinc/23/64/52/554236452.db2.gz LVALNBZKZCZJEZ-ODLFYWEKSA-N -1 0 544.402 2.774 50 10 KFCARM COc1c2c(cc(CCN(C)C(C)=O)c1/C=C1\C(=O)[N-]C(=O)N(c3ccc(I)cc3)C1=O)OCO2 ZINC000100288099 554281183 /nfs/dbraw/zinc/28/11/83/554281183.db2.gz YGNCKOYHGZARPN-WOJGMQOQSA-N -1 0 591.358 2.716 50 10 KFCARM COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000100310313 554300171 /nfs/dbraw/zinc/30/01/71/554300171.db2.gz KTJTUESLMDUDHM-MHWRWJLKSA-N -1 0 578.969 2.929 50 10 KFCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(O)c(OC)c3)C2=O)c1 ZINC000100330586 554313015 /nfs/dbraw/zinc/31/30/15/554313015.db2.gz BCSULTZHAMMARE-SDQBBNPISA-N -1 0 524.267 2.689 50 10 KFCARM O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 ZINC000100419008 554385461 /nfs/dbraw/zinc/38/54/61/554385461.db2.gz LUIJGAPXUIIHSC-YVLHZVERSA-N -1 0 525.258 2.896 50 10 KFCARM CN1C(=O)C(=CNc2ccc(S(=O)(=O)[N-]c3nccc(C=Cc4cccc([N+](=O)[O-])c4)n3)cc2)C(=O)N(C)C1=O ZINC000100424690 554386022 /nfs/dbraw/zinc/38/60/22/554386022.db2.gz CXCLLCQUURTZFT-VOTSOKGWSA-N -1 0 563.552 2.702 50 10 KFCARM COc1ccc(C=Cc2ccnc([N-]S(=O)(=O)c3ccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)cc3)n2)cc1OC ZINC000100424701 554386411 /nfs/dbraw/zinc/38/64/11/554386411.db2.gz WYBUWMNPSWJSPI-FNORWQNLSA-N -1 0 578.607 2.811 50 10 KFCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OC(=O)c1ccc(OC)cc1 ZINC000100648440 554436876 /nfs/dbraw/zinc/43/68/76/554436876.db2.gz KAKNNLWIVRDYOI-UHFFFAOYSA-N -1 0 536.278 2.667 50 10 KFCARM CCOC(=O)C(=C([O-])C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000100721440 554455377 /nfs/dbraw/zinc/45/53/77/554455377.db2.gz RZMXBGUZTPXXPZ-NRFANRHFSA-N -1 0 584.497 2.882 50 10 KFCARM CCOC(=O)C(=C([O-])C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000100721444 554455416 /nfs/dbraw/zinc/45/54/16/554455416.db2.gz RZMXBGUZTPXXPZ-OAQYLSRUSA-N -1 0 584.497 2.882 50 10 KFCARM CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCS(=O)(=O)[O-])C3=O)c3ccccc32)cc1 ZINC000100722297 554456085 /nfs/dbraw/zinc/45/60/85/554456085.db2.gz MHXKNDMOMWMKKU-VXPUYCOJSA-N -1 0 547.636 2.530 50 10 KFCARM COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)CC2)cc1 ZINC000100762377 554468041 /nfs/dbraw/zinc/46/80/41/554468041.db2.gz BABHELLVUCMRFQ-SILNSSARSA-N -1 0 551.650 2.706 50 10 KFCARM Cc1c(NC=C2C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000100794557 554473608 /nfs/dbraw/zinc/47/36/08/554473608.db2.gz RBJPNQVFSZBIQN-SFQUDFHCSA-N -1 0 543.321 2.668 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(NCN3CCOCC3)nc12 ZINC000100836856 554484005 /nfs/dbraw/zinc/48/40/05/554484005.db2.gz MKGUNUMDHUGIPF-JXAWBTAJSA-N -1 0 531.660 2.551 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000100843118 554490307 /nfs/dbraw/zinc/49/03/07/554490307.db2.gz QHAZCFZQHMWRTK-CPNJWEJPSA-N -1 0 539.614 2.754 50 10 KFCARM Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c(=O)n2c1 ZINC000100843120 554490352 /nfs/dbraw/zinc/49/03/52/554490352.db2.gz BMHQLNYIJSPHTL-XDHOZWIPSA-N -1 0 539.614 2.754 50 10 KFCARM Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000100843129 554490331 /nfs/dbraw/zinc/49/03/31/554490331.db2.gz UKSOSMMPAVEXCM-CPNJWEJPSA-N -1 0 539.614 2.754 50 10 KFCARM O=C([O-])CCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000100860242 554494855 /nfs/dbraw/zinc/49/48/55/554494855.db2.gz VEEHILDCYSKASI-XDJHFCHBSA-N -1 0 539.614 2.836 50 10 KFCARM O=C([O-])CCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000100860365 554495204 /nfs/dbraw/zinc/49/52/04/554495204.db2.gz OZAMZCMIURCMAB-XDJHFCHBSA-N -1 0 539.614 2.836 50 10 KFCARM Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c(=O)n2c1 ZINC000100860401 554495188 /nfs/dbraw/zinc/49/51/88/554495188.db2.gz IFWOPVZEEQDNDV-XDHOZWIPSA-N -1 0 539.614 2.754 50 10 KFCARM CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)[O-])C3=O)c3ccccc32)cc1 ZINC000100871329 554499012 /nfs/dbraw/zinc/49/90/12/554499012.db2.gz CIUNHUYXVNROIG-MRCUWXFGSA-N -1 0 539.591 2.895 50 10 KFCARM O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000101129894 554648799 /nfs/dbraw/zinc/64/87/99/554648799.db2.gz ZDENYKJDBBSGDF-CJLVFECKSA-N -1 0 620.756 2.649 50 10 KFCARM COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3/SC(=S)N(CCC(=O)[O-])C3=O)CC2)cc1 ZINC000101130685 554649745 /nfs/dbraw/zinc/64/97/45/554649745.db2.gz BABHELLVUCMRFQ-CAPFRKAQSA-N -1 0 551.650 2.706 50 10 KFCARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NCCN1CCN(c3ccc(OC)cc3)CC1)c2=O ZINC000101623258 554810686 /nfs/dbraw/zinc/81/06/86/554810686.db2.gz RXIGOWIZWYNRGP-UHFFFAOYSA-N -1 0 539.658 2.573 50 10 KFCARM O=C(COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000102937166 555165201 /nfs/dbraw/zinc/16/52/01/555165201.db2.gz GIQCHVXSLKUUFA-UHFFFAOYSA-N -1 0 616.095 2.724 50 10 KFCARM CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000103685157 555462327 /nfs/dbraw/zinc/46/23/27/555462327.db2.gz PYPKOANXWUPAHU-HMAPJEAMSA-N -1 0 524.624 2.972 50 10 KFCARM COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc(OC)c1OC ZINC000108449470 571424824 /nfs/dbraw/zinc/42/48/24/571424824.db2.gz UCUGEDKGOBIRBI-SFHVURJKSA-N -1 0 535.553 2.718 50 10 biogenic KFCARM COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc(OC)c1OC ZINC000108449474 571424913 /nfs/dbraw/zinc/42/49/13/571424913.db2.gz UCUGEDKGOBIRBI-GOSISDBHSA-N -1 0 535.553 2.718 50 10 biogenic KFCARM NC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 ZINC000136602489 571449666 /nfs/dbraw/zinc/44/96/66/571449666.db2.gz WSDACEQBEONZAR-DHDCSXOGSA-N -1 0 555.457 2.646 50 10 KFCARM CCOC(=O)C(=C([O-])C(=O)Nc1cccc(C(C)=O)c1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000198714918 571568699 /nfs/dbraw/zinc/56/86/99/571568699.db2.gz VISBJKXBWWNBAS-QFIPXVFZSA-N -1 0 551.511 2.756 50 10 KFCARM CCOC(=O)C(=C([O-])C(=O)Nc1cccc(C(C)=O)c1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000198714937 571568693 /nfs/dbraw/zinc/56/86/93/571568693.db2.gz VISBJKXBWWNBAS-JOCHJYFZSA-N -1 0 551.511 2.756 50 10 KFCARM COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(=O)nc3ccccn3c2[O-])cc1OC ZINC000206057904 571572317 /nfs/dbraw/zinc/57/23/17/571572317.db2.gz ONBXQBQCPSOACQ-GOSISDBHSA-N -1 0 505.527 2.709 50 10 KFCARM COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(=O)nc3ccccn3c2[O-])cc1OC ZINC000206057932 571572368 /nfs/dbraw/zinc/57/23/68/571572368.db2.gz ONBXQBQCPSOACQ-SFHVURJKSA-N -1 0 505.527 2.709 50 10 KFCARM COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(=O)nc3ccccn3c2[O-])cc(OC)c1OC ZINC000206060310 571572342 /nfs/dbraw/zinc/57/23/42/571572342.db2.gz AEKCRZCLQKVMDB-GOSISDBHSA-N -1 0 535.553 2.718 50 10 KFCARM COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(=O)nc3ccccn3c2[O-])cc(OC)c1OC ZINC000206060328 571572291 /nfs/dbraw/zinc/57/22/91/571572291.db2.gz AEKCRZCLQKVMDB-SFHVURJKSA-N -1 0 535.553 2.718 50 10 KFCARM COc1ccc2cc([C@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c([O-])nc4ccccn4c3=O)c(=O)n(C)c2c1 ZINC000217662404 571602384 /nfs/dbraw/zinc/60/23/84/571602384.db2.gz NKXMDEUHNVELRK-FQEVSTJZSA-N -1 0 556.575 2.553 50 10 KFCARM COc1ccc2cc([C@@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c([O-])nc4ccccn4c3=O)c(=O)n(C)c2c1 ZINC000217662491 571602375 /nfs/dbraw/zinc/60/23/75/571602375.db2.gz NKXMDEUHNVELRK-HXUWFJFHSA-N -1 0 556.575 2.553 50 10 KFCARM COc1ccc2[nH]c(=O)c([C@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c([O-])nc4ccccn4c3=O)cc2c1 ZINC000217685606 1059483704 /nfs/dbraw/zinc/48/37/04/1059483704.db2.gz PGJTVMXDAFYMAK-IBGZPJMESA-N -1 0 542.548 2.542 50 10 KFCARM COc1ccc2[nH]c(=O)c([C@@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c([O-])nc4ccccn4c3=O)cc2c1 ZINC000217685687 1059483623 /nfs/dbraw/zinc/48/36/23/1059483623.db2.gz PGJTVMXDAFYMAK-LJQANCHMSA-N -1 0 542.548 2.542 50 10 KFCARM COc1ccc2cc([C@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c([O-])nc4ccccn4c3=O)c(=O)[nH]c2c1 ZINC000217746607 1059484762 /nfs/dbraw/zinc/48/47/62/1059484762.db2.gz PSVVKQVNEXZZDX-IBGZPJMESA-N -1 0 542.548 2.542 50 10 KFCARM COc1ccc2cc([C@@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c([O-])nc4ccccn4c3=O)c(=O)[nH]c2c1 ZINC000217746688 1059484805 /nfs/dbraw/zinc/48/48/05/1059484805.db2.gz PSVVKQVNEXZZDX-LJQANCHMSA-N -1 0 542.548 2.542 50 10 KFCARM O=C(C[C@H](c1cc2ccccc2[nH]c1=O)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000217805936 1059484733 /nfs/dbraw/zinc/48/47/33/1059484733.db2.gz LPZDAHWJOAYOPS-GOSISDBHSA-N -1 0 512.522 2.534 50 10 KFCARM O=C(C[C@@H](c1cc2ccccc2[nH]c1=O)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000217806017 1059484450 /nfs/dbraw/zinc/48/44/50/1059484450.db2.gz LPZDAHWJOAYOPS-SFHVURJKSA-N -1 0 512.522 2.534 50 10 KFCARM O=C(C[C@H](c1coc2ccccc2c1=O)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000217822946 1059484705 /nfs/dbraw/zinc/48/47/05/1059484705.db2.gz DANJFZIJBZAGFK-GOSISDBHSA-N -1 0 513.506 2.799 50 10 KFCARM O=C(C[C@@H](c1coc2ccccc2c1=O)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000217823023 1059484505 /nfs/dbraw/zinc/48/45/05/1059484505.db2.gz DANJFZIJBZAGFK-SFHVURJKSA-N -1 0 513.506 2.799 50 10 KFCARM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1OCC(N)=O ZINC000217904163 1059484583 /nfs/dbraw/zinc/48/45/83/1059484583.db2.gz MMDTXFBAVDXDRQ-ZDUSSCGKSA-N -1 0 535.461 2.596 50 10 KFCARM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1OCC(N)=O ZINC000217904247 1059484669 /nfs/dbraw/zinc/48/46/69/1059484669.db2.gz MMDTXFBAVDXDRQ-CYBMUJFWSA-N -1 0 535.461 2.596 50 10 KFCARM Cn1nccc1[C@@H](CC(=O)N1CCN(C)CC1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000217930130 1059485830 /nfs/dbraw/zinc/48/58/30/1059485830.db2.gz ZLBKVONNCVYIBF-QGZVFWFLSA-N -1 0 504.543 2.606 50 10 KFCARM Cn1nccc1[C@H](CC(=O)N1CCN(C)CC1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000217930215 1059485994 /nfs/dbraw/zinc/48/59/94/1059485994.db2.gz ZLBKVONNCVYIBF-KRWDZBQOSA-N -1 0 504.543 2.606 50 10 KFCARM COc1ccc2occ([C@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c([O-])nc4ccccn4c3=O)c(=O)c2c1 ZINC000217933959 1059485893 /nfs/dbraw/zinc/48/58/93/1059485893.db2.gz XISYIMVYFJHDMC-SFHVURJKSA-N -1 0 543.532 2.807 50 10 KFCARM COc1ccc2occ([C@@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c([O-])nc4ccccn4c3=O)c(=O)c2c1 ZINC000217934040 1059485964 /nfs/dbraw/zinc/48/59/64/1059485964.db2.gz XISYIMVYFJHDMC-GOSISDBHSA-N -1 0 543.532 2.807 50 10 KFCARM C[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@H+]2CCCC[C@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc12 ZINC000245241982 572216663 /nfs/dbraw/zinc/21/66/63/572216663.db2.gz VPHGNASNUHAYHV-QBRYNYCPSA-N -1 0 654.757 2.799 50 10 KFCARM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(I)c1OCC(=O)OC ZINC000334160770 572153890 /nfs/dbraw/zinc/15/38/90/572153890.db2.gz MCUMDHIZHNAZQK-WUXMJOGZSA-N -1 0 537.353 2.528 50 10 KFCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000334163372 572154932 /nfs/dbraw/zinc/15/49/32/572154932.db2.gz QKUTUYXEGNPEQY-ODLFYWEKSA-N -1 0 513.459 2.972 50 10 KFCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1O ZINC000575443458 1059435258 /nfs/dbraw/zinc/43/52/58/1059435258.db2.gz FOTRRONFKBICTR-XGICHPGQSA-N -1 0 509.212 2.580 50 10 KFCARM Cn1c([O-])c(C=CC=C2CCC(C=CC=C3C(=O)N(C)C(=O)N(C)C3=O)=C2c2ccccc2)c(=O)n(C)c1=O ZINC000685944797 1059042526 /nfs/dbraw/zinc/04/25/26/1059042526.db2.gz YTULQZFZHITFEX-GFKWAOBWSA-N -1 0 528.565 2.510 50 10 KFCARM