smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(Br)c2)C1=O ZINC000001175971 132240428 /nfs/dbraw/zinc/24/04/28/132240428.db2.gz FDMILZGXMZGIFW-XYOKQWHBSA-N -1 0 401.216 3.130 50 10 HGCARM CCOc1cccc(N2C(=O)/C(=C/c3ccc(O)c(OCC)c3)C(=O)[N-]C2=S)c1 ZINC000001203293 132242119 /nfs/dbraw/zinc/24/21/19/132242119.db2.gz PUSXFHHDMRASKV-MHWRWJLKSA-N -1 0 412.467 3.021 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(O)cc1O ZINC000002307004 132252201 /nfs/dbraw/zinc/25/22/01/132252201.db2.gz VJTXSGKZAHEYIL-NTUHNPAUSA-N -1 0 403.188 3.367 50 10 HGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(O)c1 ZINC000004738854 132286361 /nfs/dbraw/zinc/28/63/61/132286361.db2.gz OXRURXJZVIVVPK-LDADJPATSA-N -1 0 409.511 3.378 50 10 HGCARM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)ccc1Br ZINC000008771960 132333246 /nfs/dbraw/zinc/33/32/46/132333246.db2.gz BBEAWKQFFWPMKX-YRNVUSSQSA-N -1 0 420.175 3.130 50 10 HGCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000012363813 132359023 /nfs/dbraw/zinc/35/90/23/132359023.db2.gz ZWQLYHMPEUMPOB-RGEXLXHISA-N -1 0 409.511 3.373 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000009318916 536597491 /nfs/dbraw/zinc/59/74/91/536597491.db2.gz PZXSQQJICSMPJV-RIYZIHGNSA-N -1 0 420.343 3.389 50 10 HGCARM CCN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000002866618 557412442 /nfs/dbraw/zinc/41/24/42/557412442.db2.gz JYUYTYXHBKSMML-UHFFFAOYSA-N -1 0 412.423 3.025 50 10 HGCARM Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCN(C)CC4)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000019814457 558287128 /nfs/dbraw/zinc/28/71/28/558287128.db2.gz NPFWOBHTDPPVHW-LGMDPLHJSA-N -1 0 424.526 3.320 50 10 HGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S ZINC000013690130 558572308 /nfs/dbraw/zinc/57/23/08/558572308.db2.gz OTEBQRBFOSVSMA-OZYJXZHSSA-N -1 0 405.526 3.037 50 10 HGCARM COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000015836044 558755868 /nfs/dbraw/zinc/75/58/68/558755868.db2.gz GMDMEXBNAVEIRW-XFXZXTDPSA-N -1 0 419.206 3.263 50 10 HGCARM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(S(N)(=O)=O)cc1 ZINC000100423356 559135034 /nfs/dbraw/zinc/13/50/34/559135034.db2.gz TVDLDSNUNFYMNR-UYRXBGFRSA-N -1 0 416.478 3.362 50 10 HGCARM CCOc1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000004908839 559201109 /nfs/dbraw/zinc/20/11/09/559201109.db2.gz NNFGSPRFOIRTAS-UYRXBGFRSA-N -1 0 405.410 3.131 50 10 HGCARM Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@@H](c2ccc4c(c2)OCO4)C1)CCC3 ZINC000012296341 568462556 /nfs/dbraw/zinc/46/25/56/568462556.db2.gz QUVABAIZQJMEOE-OAHLLOKOSA-N -1 0 404.422 3.463 50 10 biogenic HGCARM O=C([O-])CNC(=O)c1ccc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 ZINC000604405520 568492583 /nfs/dbraw/zinc/49/25/83/568492583.db2.gz PFCCJCNQRABERB-UHFFFAOYSA-N -1 0 424.412 3.017 50 10 biogenic HGCARM CN1CC[NH+](Cc2c([O-])ccc3c([O-])c(-c4ccc(Cl)cc4)c(=O)oc32)CC1 ZINC000020663637 568639561 /nfs/dbraw/zinc/63/95/61/568639561.db2.gz AGWFUSWJRVKGBP-UHFFFAOYSA-N -1 0 400.862 3.272 50 10 HGCARM CCCOc1ccc(/C=C2\C(=O)[N-]N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC ZINC000002907322 568815280 /nfs/dbraw/zinc/81/52/80/568815280.db2.gz CQYJEUICUPQCAC-QGOAFFKASA-N -1 0 424.453 3.122 50 10 HGCARM COc1ccc(C=C2SC(=S)N(C3=C([O-])N(c4ccccc4)C(=O)C3)C2=O)cc1 ZINC000102801930 569041709 /nfs/dbraw/zinc/04/17/09/569041709.db2.gz GLFJCAHYRICIAR-PCJMVEANSA-N -1 0 424.503 3.229 50 10 HGCARM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000001135619 132238540 /nfs/dbraw/zinc/23/85/40/132238540.db2.gz ASMXXGAAHJTTBA-GXDHUFHOSA-N -1 0 416.886 3.497 50 10 HGCARM CCN(CC)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1 ZINC000001155736 132239510 /nfs/dbraw/zinc/23/95/10/132239510.db2.gz PSLKUJPUFJBRDX-CPNJWEJPSA-N -1 0 423.469 3.216 50 10 HGCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1cccnc1 ZINC000001219275 132242974 /nfs/dbraw/zinc/24/29/74/132242974.db2.gz HMXNZVXECVTUMX-UDWIEESQSA-N -1 0 400.438 3.464 50 10 HGCARM COc1ccc(OC)c(C=C2C(=O)[N-]C(=O)N(c3cc(OC)ccc3OC)C2=O)c1 ZINC000002282821 132251394 /nfs/dbraw/zinc/25/13/94/132251394.db2.gz LSIGTHRZKMKYDW-XNTDXEJSSA-N -1 0 412.398 3.228 50 10 HGCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000002810582 132257924 /nfs/dbraw/zinc/25/79/24/132257924.db2.gz LFKTVMPOHPAAAD-JXMROGBWSA-N -1 0 421.634 3.475 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)ccc1O ZINC000004599687 132279925 /nfs/dbraw/zinc/27/99/25/132279925.db2.gz ZPZWFUZBURBOIC-XYOKQWHBSA-N -1 0 402.859 3.194 50 10 HGCARM O=C1[N-]N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000000974177 527081451 /nfs/dbraw/zinc/08/14/51/527081451.db2.gz HZQIQKXLEVELLW-LDADJPATSA-N -1 0 417.387 3.003 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1O ZINC000004591783 536597911 /nfs/dbraw/zinc/59/79/11/536597911.db2.gz IDSUIGPTRYQWMF-XYOKQWHBSA-N -1 0 402.859 3.194 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1C ZINC000001184268 536598222 /nfs/dbraw/zinc/59/82/22/536598222.db2.gz HWFKOVCJAHFALT-XNTDXEJSSA-N -1 0 415.243 3.433 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1C ZINC000001176759 536598452 /nfs/dbraw/zinc/59/84/52/536598452.db2.gz JNGYSFIQQPBAKS-OQLLNIDSSA-N -1 0 415.243 3.433 50 10 HGCARM O=C([O-])c1cccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3F)SC2=S)c1 ZINC000002930462 557427817 /nfs/dbraw/zinc/42/78/17/557427817.db2.gz RQJOQXVBYSGFFS-OQLLNIDSSA-N -1 0 416.455 3.364 50 10 HGCARM Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)[O-])c1 ZINC000004705994 557585233 /nfs/dbraw/zinc/58/52/33/557585233.db2.gz XXQVCGHGQCAKKA-UHFFFAOYSA-N -1 0 409.419 3.466 50 10 HGCARM CC[C@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1 ZINC000002920179 557772202 /nfs/dbraw/zinc/77/22/02/557772202.db2.gz AWGKUUAFVCSBPX-HNNXBMFYSA-N -1 0 408.454 3.407 50 10 HGCARM Cc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)NC3=O)c3ccccc32)cc1C ZINC000002954480 557772925 /nfs/dbraw/zinc/77/29/25/557772925.db2.gz ORTLFPUSNHPXOI-UHFFFAOYSA-N -1 0 403.438 3.087 50 10 HGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000019824244 558291035 /nfs/dbraw/zinc/29/10/35/558291035.db2.gz CRUVVIFJNKEJLO-ATVHPVEESA-N -1 0 408.845 3.120 50 10 HGCARM O=C([O-])c1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1 ZINC000020030320 558324135 /nfs/dbraw/zinc/32/41/35/558324135.db2.gz NCBLKXRCPLJLIW-UHFFFAOYSA-N -1 0 416.842 3.372 50 10 HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C ZINC000013655983 558559099 /nfs/dbraw/zinc/55/90/99/558559099.db2.gz SQNZSJFUVRJCCH-DHDCSXOGSA-N -1 0 402.248 3.071 50 10 HGCARM O=C([O-])Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 ZINC000017082452 558814517 /nfs/dbraw/zinc/81/45/17/558814517.db2.gz IGBYGKQSAPYEBO-KHAFMBKQSA-N -1 0 402.497 3.106 50 10 HGCARM COc1cc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc(OC)c1OC ZINC000017113037 558822781 /nfs/dbraw/zinc/82/27/81/558822781.db2.gz DGPMJDOZYMZMNL-CZAWJFPGSA-N -1 0 411.501 3.023 50 10 HGCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1Cc1ccccc1Cl ZINC000013661254 558851834 /nfs/dbraw/zinc/85/18/34/558851834.db2.gz IRTXMMCNJORYLN-BOPFTXTBSA-N -1 0 409.829 3.445 50 10 HGCARM CCOC(=O)c1c(C)[nH]c(C=C2C(=O)[N-]C(=O)NC2=O)c1Cc1cccc(Cl)c1 ZINC000011690113 559178297 /nfs/dbraw/zinc/17/82/97/559178297.db2.gz RXJUFKRBAOWAIU-UHFFFAOYSA-N -1 0 415.833 3.334 50 10 HGCARM O=C1C[C@@H](c2ccco2)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000096221287 568705115 /nfs/dbraw/zinc/70/51/15/568705115.db2.gz IEJALJNGIFBPMB-JTQLQIEISA-N -1 0 422.345 3.316 50 10 biogenic HGCARM COc1cc(/C=C2\C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC ZINC000001005562 568762377 /nfs/dbraw/zinc/76/23/77/568762377.db2.gz SOXHZDBSJMTDEC-VGOFMYFVSA-N -1 0 422.359 3.193 50 10 HGCARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 ZINC000004263489 568955911 /nfs/dbraw/zinc/95/59/11/568955911.db2.gz LCGJRWOLCNBEHQ-GXDHUFHOSA-N -1 0 402.453 3.208 50 10 HGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000002218394 569311834 /nfs/dbraw/zinc/31/18/34/569311834.db2.gz MYEPPBJIQSGJQI-SILNSSARSA-N -1 0 406.486 3.150 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1Cc1ccccc1F ZINC000002222842 569313310 /nfs/dbraw/zinc/31/33/10/569313310.db2.gz CHZOHIRDUPNPMW-PDGQHHTCSA-N -1 0 407.376 3.481 50 10 HGCARM COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000001228830 132243215 /nfs/dbraw/zinc/24/32/15/132243215.db2.gz GRGGCAJTHAXZHH-LFIBNONCSA-N -1 0 419.393 3.470 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O ZINC000002998700 132261300 /nfs/dbraw/zinc/26/13/00/132261300.db2.gz RXDHDYWLLJTOOQ-IZZDOVSWSA-N -1 0 407.209 3.374 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1Br ZINC000004672884 132281903 /nfs/dbraw/zinc/28/19/03/132281903.db2.gz JCVMIODBMRRFKC-LCYFTJDESA-N -1 0 405.248 3.420 50 10 HGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)c1 ZINC000009310908 132338357 /nfs/dbraw/zinc/33/83/57/132338357.db2.gz ZYGNRFHQVSKPSH-RIYZIHGNSA-N -1 0 415.243 3.438 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 ZINC000001203562 536598045 /nfs/dbraw/zinc/59/80/45/536598045.db2.gz VYGCLFDXXLEMQY-MHWRWJLKSA-N -1 0 415.243 3.433 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1 ZINC000004893429 536598191 /nfs/dbraw/zinc/59/81/91/536598191.db2.gz DDZVVXFCARXPSF-OQLLNIDSSA-N -1 0 401.216 3.124 50 10 HGCARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 ZINC000001213789 557244824 /nfs/dbraw/zinc/24/48/24/557244824.db2.gz GYFYPTBZBRVTAA-GDNBJRDFSA-N -1 0 408.501 3.229 50 10 HGCARM Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c(C(=O)[O-])c1 ZINC000002850383 557404146 /nfs/dbraw/zinc/40/41/46/557404146.db2.gz IQZBWBBHQRGXGH-UHFFFAOYSA-N -1 0 415.405 3.137 50 10 HGCARM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)ccc1Br ZINC000004704498 557584696 /nfs/dbraw/zinc/58/46/96/557584696.db2.gz BAWKKPGWYKDRNU-ZROIWOOFSA-N -1 0 401.216 3.130 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000015012288 558700759 /nfs/dbraw/zinc/70/07/59/558700759.db2.gz GXLYVSZTOVKCLU-ZROIWOOFSA-N -1 0 405.248 3.420 50 10 HGCARM O=C1c2c([O-])ccc([N+](=O)[O-])c2C(=O)c2c(Nc3ccc(CCO)cc3)ccc(O)c21 ZINC000033839095 558771743 /nfs/dbraw/zinc/77/17/43/558771743.db2.gz VOCYGZAHYQXJOF-UHFFFAOYSA-N -1 0 420.377 3.060 50 10 HGCARM COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000034926484 558787832 /nfs/dbraw/zinc/78/78/32/558787832.db2.gz ZPXJFMSGJCYRJS-UHFFFAOYSA-N -1 0 411.285 3.252 50 10 HGCARM Cc1cc(-c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)o2)ccc1[N+](=O)[O-] ZINC000016677479 558798888 /nfs/dbraw/zinc/79/88/88/558798888.db2.gz ARTDOGPMNXIYND-AUWJEWJLSA-N -1 0 404.425 3.449 50 10 HGCARM Cc1cccc(OCCn2cccc2/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1 ZINC000013635779 558849395 /nfs/dbraw/zinc/84/93/95/558849395.db2.gz CWEAJHXLLCZARC-ZHZULCJRSA-N -1 0 419.437 3.131 50 10 HGCARM O=C([O-])CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)SC1=S ZINC000048302067 568437602 /nfs/dbraw/zinc/43/76/02/568437602.db2.gz VNVVKBSBEMOHFE-SXGWCWSVSA-N -1 0 422.491 3.220 50 10 HGCARM COC(=O)c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1Cl ZINC000095471526 568626648 /nfs/dbraw/zinc/62/66/48/568626648.db2.gz QZSBQCFBQVPEJU-GDNBJRDFSA-N -1 0 413.817 3.014 50 10 HGCARM Cn1nccc1[C@@H]1CC(=O)Oc2c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114383 568693827 /nfs/dbraw/zinc/69/38/27/568693827.db2.gz WVDWHQWISUOYIC-LBPRGKRZSA-N -1 0 404.378 3.046 50 10 biogenic HGCARM COc1ccc(N2CCN([C@H](c3ccco3)c3sc4ncnn4c3[O-])CC2)cc1 ZINC000022610130 568771977 /nfs/dbraw/zinc/77/19/77/568771977.db2.gz PRZAIVJHVXQZPB-QGZVFWFLSA-N -1 0 411.487 3.010 50 10 HGCARM CCN1C(=O)[N-]C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O ZINC000005867643 568826993 /nfs/dbraw/zinc/82/69/93/568826993.db2.gz NPEOHJILZXCMBF-XMHGGMMESA-N -1 0 403.438 3.202 50 10 HGCARM O=C([N-]N1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccccc1[N+](=O)[O-] ZINC000001856235 568838620 /nfs/dbraw/zinc/83/86/20/568838620.db2.gz KBIBGYNBPJGXHP-ZROIWOOFSA-N -1 0 403.416 3.280 50 10 HGCARM COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000004181228 568949452 /nfs/dbraw/zinc/94/94/52/568949452.db2.gz QHCDRIIARXTOHD-WDZFZDKYSA-N -1 0 408.197 3.372 50 10 HGCARM O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000035640363 569047013 /nfs/dbraw/zinc/04/70/13/569047013.db2.gz NPACQAIKCDSDTI-NTUHNPAUSA-N -1 0 421.481 3.202 50 10 HGCARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000001773969 569052463 /nfs/dbraw/zinc/05/24/63/569052463.db2.gz MAFUYLANIWIOEC-UHFFFAOYSA-N -1 0 421.430 3.049 50 10 HGCARM O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1 ZINC000016769971 569262659 /nfs/dbraw/zinc/26/26/59/569262659.db2.gz VCTHFKDIJQSHAR-SBFJKYRKSA-N -1 0 402.522 3.338 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000001117376 569277329 /nfs/dbraw/zinc/27/73/29/569277329.db2.gz HDJWRKMAYJVEHT-XMHGGMMESA-N -1 0 414.417 3.376 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccco1 ZINC000008829858 571122825 /nfs/dbraw/zinc/12/28/25/571122825.db2.gz LRPXOVKZJSLAFG-ATVHPVEESA-N -1 0 418.405 3.277 50 10 HGCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=CNc1cccc(-c2ccc(CO)o2)c1 ZINC000009306549 571246700 /nfs/dbraw/zinc/24/67/00/571246700.db2.gz ZLEKVUIVJYSTCT-LDADJPATSA-N -1 0 409.442 3.146 50 10 HGCARM CCN(CC)/N=N/c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000009969843 571293197 /nfs/dbraw/zinc/29/31/97/571293197.db2.gz PFNWXXQCJNIYMV-HYHOCUEZSA-N -1 0 404.492 3.001 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C ZINC000000654410 132230096 /nfs/dbraw/zinc/23/00/96/132230096.db2.gz HJZZGVLSAQIZTE-OQLLNIDSSA-N -1 0 418.316 3.236 50 10 HGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)cc1 ZINC000001125727 132238216 /nfs/dbraw/zinc/23/82/16/132238216.db2.gz HQSXCKMMFCEKOC-SFQUDFHCSA-N -1 0 409.417 3.101 50 10 HGCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Br)cc2)C1=O ZINC000003189257 132263062 /nfs/dbraw/zinc/26/30/62/132263062.db2.gz KVULMKQBEHIMQQ-JLHYYAGUSA-N -1 0 401.216 3.124 50 10 HGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000006418020 132310869 /nfs/dbraw/zinc/31/08/69/132310869.db2.gz NELQURVMFUINRX-VKAVYKQESA-N -1 0 408.458 3.120 50 10 HGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000009311307 132338504 /nfs/dbraw/zinc/33/85/04/132338504.db2.gz ZYFVPGKQNSNSOK-UYRXBGFRSA-N -1 0 416.393 3.360 50 10 HGCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000009334723 132338785 /nfs/dbraw/zinc/33/87/85/132338785.db2.gz NFBQIRZWWVEEJM-ZROIWOOFSA-N -1 0 412.398 3.228 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000001211235 536598080 /nfs/dbraw/zinc/59/80/80/536598080.db2.gz YDWFEUKIXSZSOR-XNTDXEJSSA-N -1 0 415.243 3.433 50 10 HGCARM O=C1[N-]C(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N1 ZINC000001069289 557168469 /nfs/dbraw/zinc/16/84/69/557168469.db2.gz SUBNKBCWUDDWHQ-UHFFFAOYSA-N -1 0 419.393 3.039 50 10 aggregator HGCARM O=C1[N-]C(=O)C(=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1 ZINC000001202118 557239790 /nfs/dbraw/zinc/23/97/90/557239790.db2.gz IKMAPAOHJCZNPZ-UHFFFAOYSA-N -1 0 409.200 3.461 50 10 HGCARM COc1cc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)ccc1O ZINC000001220885 557248366 /nfs/dbraw/zinc/24/83/66/557248366.db2.gz SXGGEIQEHFCTTO-MPMPPSQCSA-N -1 0 415.492 3.298 50 10 HGCARM COC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000004646348 557574775 /nfs/dbraw/zinc/57/47/75/557574775.db2.gz GWXPNBDKQUNSRF-KOZAUXTDSA-N -1 0 407.488 3.010 50 10 HGCARM CC(C)(C)c1ccc(OCCOc2ccccc2C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000002948240 557773879 /nfs/dbraw/zinc/77/38/79/557773879.db2.gz UCCHTZMIGMGATI-UHFFFAOYSA-N -1 0 408.454 3.191 50 10 HGCARM Cc1ccc(C)c(OCCn2cc(C=C3C(=O)[N-]C(=O)NC3=O)c3ccccc32)c1 ZINC000002978237 557776975 /nfs/dbraw/zinc/77/69/75/557776975.db2.gz VPJWDOMMZJSSDG-UHFFFAOYSA-N -1 0 403.438 3.087 50 10 HGCARM O=C([O-])c1cc(N2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)ccc1O ZINC000013689527 558571819 /nfs/dbraw/zinc/57/18/19/558571819.db2.gz ZKVQQWHXTIGPPZ-NVNXTCNLSA-N -1 0 409.448 3.439 50 10 HGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1OC ZINC000013766227 558591330 /nfs/dbraw/zinc/59/13/30/558591330.db2.gz KUECVYDZDVEKMY-UVTDQMKNSA-N -1 0 400.362 3.358 50 10 HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000014010972 558613263 /nfs/dbraw/zinc/61/32/63/558613263.db2.gz UGKDOANFRSWTEM-DHDCSXOGSA-N -1 0 416.275 3.257 50 10 HGCARM COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1 ZINC000027530367 558674049 /nfs/dbraw/zinc/67/40/49/558674049.db2.gz YANZTHNNNORSGN-OVCLIPMQSA-N -1 0 415.448 3.283 50 10 HGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(OC)c1 ZINC000015010453 558700192 /nfs/dbraw/zinc/70/01/92/558700192.db2.gz DZLNEXPTOYAHPA-QGOAFFKASA-N -1 0 409.511 3.373 50 10 HGCARM CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C1=O)OCO2 ZINC000015013149 558701092 /nfs/dbraw/zinc/70/10/92/558701092.db2.gz XMWDBXMKVCSXBB-LZYBPNLTSA-N -1 0 424.478 3.262 50 10 HGCARM Cc1c2c(cc(=O)n1Cc1ccc(Cl)cc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000669724390 558806402 /nfs/dbraw/zinc/80/64/02/558806402.db2.gz VRBUOTNQQMMGTM-UHFFFAOYSA-O -1 0 423.905 3.165 50 10 HGCARM CCOC(=O)COc1ccccc1/C=C1\C(=O)N(c2ccc(C(=O)[O-])cc2)N=C1C ZINC000004949545 559214819 /nfs/dbraw/zinc/21/48/19/559214819.db2.gz RWTWYIXQHPSOAD-PDGQHHTCSA-N -1 0 408.410 3.133 50 10 HGCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1O ZINC000004357103 560857043 /nfs/dbraw/zinc/85/70/43/560857043.db2.gz WNBKSWZBVSXRBR-UUASQNMZSA-N -1 0 401.421 3.225 50 10 HGCARM CCOC(=O)COc1ccccc1/C=C1\C(=O)[N-]N(c2ccc(C)c(Cl)c2)C1=O ZINC000000678268 568461431 /nfs/dbraw/zinc/46/14/31/568461431.db2.gz UPXQFDFSISDICD-MHWRWJLKSA-N -1 0 414.845 3.052 50 10 HGCARM CCOc1c(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000033406123 568514467 /nfs/dbraw/zinc/51/44/67/568514467.db2.gz UJSOKXDFFXYFAB-NTEUORMPSA-N -1 0 417.259 3.318 50 10 HGCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000012416816 568718147 /nfs/dbraw/zinc/71/81/47/568718147.db2.gz LHFTZUAKVDSOND-FBKCMUNRSA-N -1 0 401.513 3.267 50 10 HGCARM COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCc1c(Cl)cccc1Cl ZINC000001439582 568965768 /nfs/dbraw/zinc/96/57/68/568965768.db2.gz QDXNCUBKDYRPID-UHFFFAOYSA-N -1 0 421.236 3.330 50 10 HGCARM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc2s1 ZINC000015870019 569017133 /nfs/dbraw/zinc/01/71/33/569017133.db2.gz BVNISEABTXIRDI-UHFFFAOYSA-N -1 0 419.513 3.450 50 10 HGCARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000027519922 569328120 /nfs/dbraw/zinc/32/81/20/569328120.db2.gz BNSYFFCBBCNIRU-JYRVWZFOSA-N -1 0 422.622 3.472 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)c(OC)c1OC ZINC000002283580 569364381 /nfs/dbraw/zinc/36/43/81/569364381.db2.gz CWERRWFAMMVYKZ-DTQAZKPQSA-N -1 0 414.458 3.065 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=Cc1ccc[nH]1 ZINC000009042651 132227887 /nfs/dbraw/zinc/22/78/87/132227887.db2.gz ZOMCSULPGZDRID-WQLSENKSSA-N -1 0 407.167 3.126 50 10 HGCARM CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C1=O)OCO2 ZINC000001161123 132239731 /nfs/dbraw/zinc/23/97/31/132239731.db2.gz XMWDBXMKVCSXBB-PXNMLYILSA-N -1 0 424.478 3.262 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000004723784 132285931 /nfs/dbraw/zinc/28/59/31/132285931.db2.gz GNVXUYWHOOZUMC-NTEUORMPSA-N -1 0 405.248 3.420 50 10 HGCARM CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000006599820 132312037 /nfs/dbraw/zinc/31/20/37/132312037.db2.gz HQZDRNZCDYHGGL-WJDWOHSUSA-N -1 0 413.817 3.096 50 10 HGCARM COc1cc(OC)c(C=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)c(OC)c1 ZINC000009360448 132339069 /nfs/dbraw/zinc/33/90/69/132339069.db2.gz FRYWHWALNSEUJV-KAMYIIQDSA-N -1 0 412.398 3.228 50 10 HGCARM COc1ccc(N2CCN([C@H](c3sc4ncnn4c3[O-])c3ccccc3)CC2)cc1 ZINC000022609205 132475037 /nfs/dbraw/zinc/47/50/37/132475037.db2.gz PVAMPUQRTHMDKH-IBGZPJMESA-N -1 0 421.526 3.417 50 10 HGCARM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000000753393 536632514 /nfs/dbraw/zinc/63/25/14/536632514.db2.gz MCSVFBMOUUJANJ-XNTDXEJSSA-N -1 0 415.243 3.433 50 10 HGCARM COc1ccc(Br)cc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000001183859 557232593 /nfs/dbraw/zinc/23/25/93/557232593.db2.gz XTMVRPACBQNIRI-YRNVUSSQSA-N -1 0 402.291 3.134 50 10 HGCARM CCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684868 557581026 /nfs/dbraw/zinc/58/10/26/557581026.db2.gz FHRHOKRUBBUHET-LJQANCHMSA-N -1 0 411.414 3.481 50 10 HGCARM CC[C@@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1 ZINC000002920177 557772027 /nfs/dbraw/zinc/77/20/27/557772027.db2.gz AWGKUUAFVCSBPX-OAHLLOKOSA-N -1 0 408.454 3.407 50 10 HGCARM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3nc(-c4ccccn4)cs3)c(Cl)cc21 ZINC000009130762 557824659 /nfs/dbraw/zinc/82/46/59/557824659.db2.gz CKQIYGNTULWABN-UHFFFAOYSA-N -1 0 422.875 3.104 50 10 HGCARM O=C([O-])CCN1C(=O)/C(=C\c2cc3cc4c(cc3nc2Cl)OCO4)SC1=S ZINC000013725790 558584134 /nfs/dbraw/zinc/58/41/34/558584134.db2.gz WDJHZXBUERIRNT-WLRTZDKTSA-N -1 0 422.871 3.293 50 10 HGCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3cccc(C)c3)C2=O)cc(Br)c1O ZINC000016225369 558779503 /nfs/dbraw/zinc/77/95/03/558779503.db2.gz OXFZIJOIRDGWIL-ZSOIEALJSA-N -1 0 417.259 3.323 50 10 HGCARM CCOC(=O)COc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(C)c(Cl)c2)C1=O ZINC000017150113 558824286 /nfs/dbraw/zinc/82/42/86/558824286.db2.gz UPXQFDFSISDICD-YBEGLDIGSA-N -1 0 414.845 3.052 50 10 HGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1OC ZINC000013775339 558868261 /nfs/dbraw/zinc/86/82/61/558868261.db2.gz CEWKFKPYOFPBLN-GDNBJRDFSA-N -1 0 414.389 3.354 50 10 HGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S ZINC000005373734 560574502 /nfs/dbraw/zinc/57/45/02/560574502.db2.gz VSNWNAOMMGEYDN-HOXUKUGESA-N -1 0 411.501 3.167 50 10 HGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000001175990 560727618 /nfs/dbraw/zinc/72/76/18/560727618.db2.gz QRCISJOJWBQDAV-UHFFFAOYSA-N -1 0 418.808 3.206 50 10 HGCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 ZINC000103020671 560836788 /nfs/dbraw/zinc/83/67/88/560836788.db2.gz FKCUFGDZFCIEGA-VVBPWWLESA-N -1 0 406.438 3.446 50 10 HGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(Br)c3)C2=O)cc1 ZINC000103255954 560840596 /nfs/dbraw/zinc/84/05/96/560840596.db2.gz ULUBIMWIUHJSDE-XNTDXEJSSA-N -1 0 400.232 3.336 50 10 HGCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000217684006 568473520 /nfs/dbraw/zinc/47/35/20/568473520.db2.gz FKCUFGDZFCIEGA-XCGNWRKASA-N -1 0 406.438 3.446 50 10 HGCARM COc1ccc(-c2c(C)c3ccc([O-])c(CN4CCOCC4)c3oc2=O)cc1OC ZINC000020605060 568636331 /nfs/dbraw/zinc/63/63/31/568636331.db2.gz OVSYFBCWGPQAPC-UHFFFAOYSA-N -1 0 411.454 3.323 50 10 HGCARM COCCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000096254765 568712008 /nfs/dbraw/zinc/71/20/08/568712008.db2.gz ITRDUIIWQRANDL-XDHOZWIPSA-N -1 0 411.527 3.199 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000096564024 568760553 /nfs/dbraw/zinc/76/05/53/568760553.db2.gz IUYGCYVYZMBTPC-ATVHPVEESA-N -1 0 424.913 3.285 50 10 HGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=CNCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000096594127 568763664 /nfs/dbraw/zinc/76/36/64/568763664.db2.gz WRTBLEWRJLQJEZ-XMHGGMMESA-N -1 0 402.454 3.029 50 10 HGCARM O=C([O-])c1cccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3F)SC2=S)c1 ZINC000002930464 568818299 /nfs/dbraw/zinc/81/82/99/568818299.db2.gz RQJOQXVBYSGFFS-DHDCSXOGSA-N -1 0 416.455 3.364 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccc(O)cc1 ZINC000015228717 568821011 /nfs/dbraw/zinc/82/10/11/568821011.db2.gz HUOZREGELQUJHO-PDGQHHTCSA-N -1 0 407.426 3.153 50 10 HGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000001184101 568822069 /nfs/dbraw/zinc/82/20/69/568822069.db2.gz IPXSHLQHRWQXMK-DHZHZOJOSA-N -1 0 421.247 3.125 50 10 HGCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNN1CCCC[C@@H]1c1cccnc1 ZINC000038169317 568974204 /nfs/dbraw/zinc/97/42/04/568974204.db2.gz YVIMYHFZDADHDL-YWXUCKCNSA-N -1 0 405.458 3.116 50 10 biogenic HGCARM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)c1 ZINC000575443038 569028183 /nfs/dbraw/zinc/02/81/83/569028183.db2.gz QCZOVCXKOIADAF-JYRVWZFOSA-N -1 0 415.243 3.438 50 10 HGCARM COc1cccc(Oc2c(C)oc3c(ccc([O-])c3CN3CCN(C)CC3)c2=O)c1 ZINC000019361186 569420449 /nfs/dbraw/zinc/42/04/49/569420449.db2.gz YTUAMGOFABOYMX-UHFFFAOYSA-N -1 0 410.470 3.355 50 10 HGCARM O=C1CCCN1c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000079501216 569432834 /nfs/dbraw/zinc/43/28/34/569432834.db2.gz JVVXXJOWWGPKRO-UHFFFAOYSA-N -1 0 408.892 3.272 50 10 HGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c(OCC)c1 ZINC000001201345 132242147 /nfs/dbraw/zinc/24/21/47/132242147.db2.gz IOKJGRRHGGFUMU-LDADJPATSA-N -1 0 410.426 3.159 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1O ZINC000002810616 132257990 /nfs/dbraw/zinc/25/79/90/132257990.db2.gz KHTOOMDGBVRSPW-UXBLZVDNSA-N -1 0 407.209 3.374 50 10 HGCARM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000002916341 132259550 /nfs/dbraw/zinc/25/95/50/132259550.db2.gz YKVUFXTZYASLHZ-RIYZIHGNSA-N -1 0 402.859 3.276 50 10 HGCARM CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000004663708 132281606 /nfs/dbraw/zinc/28/16/06/132281606.db2.gz YWCUROCPEZRHNC-WJDWOHSUSA-N -1 0 414.259 3.182 50 10 HGCARM COc1cc(Cl)c(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000009259399 132337711 /nfs/dbraw/zinc/33/77/11/132337711.db2.gz CCJDQMBISQQCMV-QPEQYQDCSA-N -1 0 420.849 3.328 50 10 HGCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O ZINC000020458663 527548973 /nfs/dbraw/zinc/54/89/73/527548973.db2.gz LHFTZUAKVDSOND-KWZJRMENSA-N -1 0 401.513 3.267 50 10 HGCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O ZINC000002240567 535658295 /nfs/dbraw/zinc/65/82/95/535658295.db2.gz LNPOJQMIPPLYGN-ZSOIEALJSA-N -1 0 400.818 3.419 50 10 HGCARM COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(=O)[N-]C2=S)cc1 ZINC000009311349 536658698 /nfs/dbraw/zinc/65/86/98/536658698.db2.gz UWALREYEVSXYOK-GDNBJRDFSA-N -1 0 417.284 3.289 50 10 HGCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000002316018 557336729 /nfs/dbraw/zinc/33/67/29/557336729.db2.gz HRDUFPJAENQUSW-YBFXNURJSA-N -1 0 405.410 3.259 50 10 HGCARM COC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)c1 ZINC000002833108 557398222 /nfs/dbraw/zinc/39/82/22/557398222.db2.gz QXCGDDILVSGNPN-RIYZIHGNSA-N -1 0 403.437 3.019 50 10 HGCARM CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000003641457 557496027 /nfs/dbraw/zinc/49/60/27/557496027.db2.gz UHPBKQBWHFEVND-NRFANRHFSA-N -1 0 422.510 3.213 50 10 HGCARM CCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)[O-])cc2C1=O ZINC000008417563 557787447 /nfs/dbraw/zinc/78/74/47/557787447.db2.gz GPJKYVQBQKMFHM-UHFFFAOYSA-N -1 0 417.215 3.016 50 10 HGCARM COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)[O-] ZINC000012377984 558392568 /nfs/dbraw/zinc/39/25/68/558392568.db2.gz IFGGKJOLVJCZNR-NVNXTCNLSA-N -1 0 405.453 3.153 50 10 HGCARM COC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000013880136 558599514 /nfs/dbraw/zinc/59/95/14/558599514.db2.gz IPZSQZPJCHWHOO-GZTJUZNOSA-N -1 0 409.442 3.449 50 10 HGCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S ZINC000026771422 558665074 /nfs/dbraw/zinc/66/50/74/558665074.db2.gz BIUFBZZZQKVFRJ-KFXIKWRMSA-N -1 0 414.464 3.492 50 10 HGCARM COc1cc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc(OC)c1OC ZINC000017113040 558822774 /nfs/dbraw/zinc/82/27/74/558822774.db2.gz DGPMJDOZYMZMNL-MAUPQMMJSA-N -1 0 411.501 3.023 50 10 HGCARM O=C1[N-]C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 ZINC000017195957 558825425 /nfs/dbraw/zinc/82/54/25/558825425.db2.gz UAXKSXCPTYKXJA-KYYPIKSYSA-N -1 0 406.438 3.111 50 10 HGCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNNc1cccc2ccccc21 ZINC000005218449 560544158 /nfs/dbraw/zinc/54/41/58/560544158.db2.gz NUBZSYOLKYWCSL-LDADJPATSA-N -1 0 404.401 3.058 50 10 HGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000001174916 560727634 /nfs/dbraw/zinc/72/76/34/560727634.db2.gz ABGFAHVDZSYXLF-UHFFFAOYSA-N -1 0 418.808 3.206 50 10 HGCARM NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccccc2Cl)c1=O ZINC000102067782 560807664 /nfs/dbraw/zinc/80/76/64/560807664.db2.gz SRQTVNVFHFTYLB-ATQAJOFPSA-N -1 0 402.823 3.191 50 10 HGCARM COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C1=O ZINC000102698367 560820039 /nfs/dbraw/zinc/82/00/39/560820039.db2.gz ZGNWMGQGNCLURU-FDFHNCONSA-N -1 0 416.433 3.452 50 10 HGCARM Cn1cc([C@@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cn1 ZINC000096115579 568695185 /nfs/dbraw/zinc/69/51/85/568695185.db2.gz FYNQLTFWPOMIQX-ZDUSSCGKSA-N -1 0 404.378 3.046 50 10 biogenic HGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=CN3c4ccc(F)cc4CC[C@H]3C)C2=O)c1 ZINC000096237517 568708705 /nfs/dbraw/zinc/70/87/05/568708705.db2.gz VDMOFCFXNZTUFD-FDIDITGRSA-N -1 0 409.417 3.142 50 10 HGCARM CCOc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=O)NC4=O)o3)sc2c1 ZINC000003667263 568867231 /nfs/dbraw/zinc/86/72/31/568867231.db2.gz HGXMZZKUAKNWTK-UHFFFAOYSA-N -1 0 415.452 3.189 50 10 HGCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(Cc3ccccc3)C2=O)SC1=S ZINC000001282009 568910647 /nfs/dbraw/zinc/91/06/47/568910647.db2.gz YWCQOARNKAIEBI-WGKGOADCSA-N -1 0 424.503 3.278 50 10 HGCARM COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1 ZINC000008753597 571112633 /nfs/dbraw/zinc/11/26/33/571112633.db2.gz YANZTHNNNORSGN-NVNXTCNLSA-N -1 0 415.448 3.283 50 10 HGCARM CN1C(=O)/C(=C/c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)cc2)SC1=S ZINC000009348540 571250489 /nfs/dbraw/zinc/25/04/89/571250489.db2.gz HOKNSOVKAHMBKB-NVNXTCNLSA-N -1 0 414.464 3.174 50 10 HGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)c1 ZINC000009318975 132232517 /nfs/dbraw/zinc/23/25/17/132232517.db2.gz TZCSKTPYABFPMU-NVNXTCNLSA-N -1 0 412.398 3.228 50 10 HGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC)cc(OC)cc3OC)C2=O)cc1 ZINC000001305261 132243849 /nfs/dbraw/zinc/24/38/49/132243849.db2.gz PRMNWWHVGQVFBL-LFIBNONCSA-N -1 0 412.398 3.228 50 10 HGCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000002307272 132252127 /nfs/dbraw/zinc/25/21/27/132252127.db2.gz XKAFAMMKMXHBFV-UYRXBGFRSA-N -1 0 414.421 3.377 50 10 HGCARM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c(C)c1 ZINC000002442361 132254815 /nfs/dbraw/zinc/25/48/15/132254815.db2.gz VJKMHAOQNYKZQV-XSFVSMFZSA-N -1 0 419.481 3.319 50 10 HGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)cc3)C2=O)c1 ZINC000004602356 132280129 /nfs/dbraw/zinc/28/01/29/132280129.db2.gz JRDQNYOGLNYFGR-DHDCSXOGSA-N -1 0 401.216 3.124 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1O ZINC000005186511 132303684 /nfs/dbraw/zinc/30/36/84/132303684.db2.gz RHACDXVBUOEVGD-VGOFMYFVSA-N -1 0 400.818 3.337 50 10 HGCARM COC(=O)c1cc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1Cl ZINC000005602878 132307049 /nfs/dbraw/zinc/30/70/49/132307049.db2.gz FHZOJCOPTVJWGH-GDNBJRDFSA-N -1 0 413.817 3.014 50 10 HGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 ZINC000006302555 132310194 /nfs/dbraw/zinc/31/01/94/132310194.db2.gz URMOHGOARNUVOR-LCYFTJDESA-N -1 0 400.778 3.135 50 10 HGCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]c4ccccc43)C2=O)c1 ZINC000009332861 132338802 /nfs/dbraw/zinc/33/88/02/132338802.db2.gz IEHGJDCVUQOWNE-WJDWOHSUSA-N -1 0 405.410 3.160 50 10 HGCARM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)cc1 ZINC000001174055 536729295 /nfs/dbraw/zinc/72/92/95/536729295.db2.gz WSDYQXIQXKTNMP-CPNJWEJPSA-N -1 0 400.390 3.293 50 10 HGCARM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O ZINC000001219137 536982265 /nfs/dbraw/zinc/98/22/65/536982265.db2.gz XTLZYUWOMOXLTI-XYOKQWHBSA-N -1 0 416.817 3.032 50 10 HGCARM O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000001144179 557206466 /nfs/dbraw/zinc/20/64/66/557206466.db2.gz GQEVVWHZGOCRCN-UHFFFAOYSA-N -1 0 400.390 3.433 50 10 HGCARM O=C([O-])c1cccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c1 ZINC000002594494 557358952 /nfs/dbraw/zinc/35/89/52/557358952.db2.gz SJEVQBCHOSKETM-JYRVWZFOSA-N -1 0 404.494 3.286 50 10 HGCARM CC(C)(C)c1ccc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)cc1 ZINC000002948238 557773891 /nfs/dbraw/zinc/77/38/91/557773891.db2.gz MADXPRVKVSJNSI-UHFFFAOYSA-N -1 0 408.454 3.191 50 10 HGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008429927 557788144 /nfs/dbraw/zinc/78/81/44/557788144.db2.gz KNWSYLFSWRBILW-WQLSENKSSA-N -1 0 421.196 3.480 50 10 HGCARM COc1cc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)ccc1O ZINC000004356721 558444916 /nfs/dbraw/zinc/44/49/16/558444916.db2.gz LGFSGPBOQHOTKH-CHHVJCJISA-N -1 0 403.437 3.210 50 10 HGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S ZINC000013719659 558581045 /nfs/dbraw/zinc/58/10/45/558581045.db2.gz QORRAKRGRGDELQ-VWLVURMCSA-N -1 0 405.526 3.037 50 10 HGCARM COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O ZINC000004599648 558835297 /nfs/dbraw/zinc/83/52/97/558835297.db2.gz IGSWMBLNZJWFDL-OVCLIPMQSA-N -1 0 401.396 3.163 50 10 HGCARM CC(C)c1ccc(/C=C2\SC(=S)N(CC(=O)N3CCC[C@H]3C(=O)[O-])C2=O)cc1 ZINC000005214651 560542895 /nfs/dbraw/zinc/54/28/95/560542895.db2.gz ZWJFWVOPCBINIL-HEUOVEHFSA-N -1 0 418.540 3.087 50 10 HGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1Cl ZINC000001086712 560727101 /nfs/dbraw/zinc/72/71/01/560727101.db2.gz BASBQJLGHPGMGD-UHFFFAOYSA-N -1 0 400.818 3.067 50 10 HGCARM CCOc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)sc2c1 ZINC000214325520 560886633 /nfs/dbraw/zinc/88/66/33/560886633.db2.gz VXYHMURZWRTPPX-SDNWHVSQSA-N -1 0 408.439 3.274 50 10 HGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S ZINC000008202461 568492860 /nfs/dbraw/zinc/49/28/60/568492860.db2.gz PAHZPTWFCQKEJA-SJWLEHQBSA-N -1 0 405.526 3.037 50 10 HGCARM COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(F)cc4)C3=O)o2)c1 ZINC000033348836 568514350 /nfs/dbraw/zinc/51/43/50/568514350.db2.gz VMUABXCZPFHGKI-LDADJPATSA-N -1 0 406.369 3.334 50 10 HGCARM O=C([O-])CCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S ZINC000000967091 568758446 /nfs/dbraw/zinc/75/84/46/568758446.db2.gz QMKLEXYUYQWVDG-ZCXUNETKSA-N -1 0 424.503 3.280 50 10 HGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=CNCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000211063880 568774613 /nfs/dbraw/zinc/77/46/13/568774613.db2.gz WRTBLEWRJLQJEZ-RGEXLXHISA-N -1 0 402.454 3.029 50 10 HGCARM Cc1[n-]n(-c2ccc3nnc(C)n3n2)c(=O)c1C=Nc1ccc(Cl)cc1Cl ZINC000036364989 569152615 /nfs/dbraw/zinc/15/26/15/569152615.db2.gz CXPZGVVKVADSAG-XYOKQWHBSA-N -1 0 402.245 3.458 50 10 HGCARM COc1cc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc(OC)c1OC ZINC000002222975 569313303 /nfs/dbraw/zinc/31/33/03/569313303.db2.gz DGPMJDOZYMZMNL-YLHGKKIISA-N -1 0 411.501 3.023 50 10 HGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000002355215 569385313 /nfs/dbraw/zinc/38/53/13/569385313.db2.gz ANHHIAHJNNXTTE-HMMYKYKNSA-N -1 0 424.476 3.289 50 10 HGCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000008643182 571097777 /nfs/dbraw/zinc/09/77/77/571097777.db2.gz YEBBEQHCCXJNGV-CNYBTUBUSA-N -1 0 409.492 3.460 50 10 HGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(C(=O)OCc3ccccc3)cc2)SC1=S ZINC000009310665 571247206 /nfs/dbraw/zinc/24/72/06/571247206.db2.gz PGVWZHJACAOPBU-MHWRWJLKSA-N -1 0 413.476 3.329 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000001195080 132241413 /nfs/dbraw/zinc/24/14/13/132241413.db2.gz FQOVCJHQSWBYOK-RIYZIHGNSA-N -1 0 411.370 3.427 50 10 HGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000001199280 132241891 /nfs/dbraw/zinc/24/18/91/132241891.db2.gz OJQXMOFSXIFCKV-SFQUDFHCSA-N -1 0 410.495 3.488 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)o1 ZINC000008743492 132332979 /nfs/dbraw/zinc/33/29/79/132332979.db2.gz GQJIQJHIDPBCAW-RVDMUPIBSA-N -1 0 417.874 3.441 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1Br ZINC000000845439 523417348 /nfs/dbraw/zinc/41/73/48/523417348.db2.gz IKGKTOMPGISCRF-UKTHLTGXSA-N -1 0 415.243 3.433 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Br)s1 ZINC000000979802 527054922 /nfs/dbraw/zinc/05/49/22/527054922.db2.gz QHXRFLHPZVEVOO-YRNVUSSQSA-N -1 0 411.277 3.481 50 10 HGCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1I ZINC000032109766 527081774 /nfs/dbraw/zinc/08/17/74/527081774.db2.gz VICRICGSXXZHJU-LCYFTJDESA-N -1 0 424.625 3.406 50 10 HGCARM CCCC[C@H](CC)COCCCNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000006657004 535012044 /nfs/dbraw/zinc/01/20/44/535012044.db2.gz HMOONHOADOQKQX-STZPCZCHSA-N -1 0 401.507 3.366 50 10 HGCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000002815921 557394948 /nfs/dbraw/zinc/39/49/48/557394948.db2.gz BIUFBZZZQKVFRJ-CNYBTUBUSA-N -1 0 414.464 3.492 50 10 HGCARM CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)cc1 ZINC000002849530 557403877 /nfs/dbraw/zinc/40/38/77/557403877.db2.gz VVYZRPHTWNWVGS-OQLLNIDSSA-N -1 0 417.464 3.409 50 10 HGCARM COc1ccc(C=C2SC(=S)N(C3=C([O-])N(c4ccccc4)C(=O)C3)C2=O)cc1 ZINC000002711411 557745196 /nfs/dbraw/zinc/74/51/96/557745196.db2.gz GLFJCAHYRICIAR-FEEIMYBTSA-N -1 0 424.503 3.229 50 10 HGCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000013955198 558607426 /nfs/dbraw/zinc/60/74/26/558607426.db2.gz HDYGKFDITXEGPP-UHFFFAOYSA-N -1 0 416.389 3.139 50 10 HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000014010983 558613285 /nfs/dbraw/zinc/61/32/85/558613285.db2.gz RCZBMURTXUZQQS-QPEQYQDCSA-N -1 0 420.238 3.087 50 10 HGCARM CCNC(=O)c1c([N-]S(=O)(=O)c2cc(OC)ccc2OC)sc2c1CCCC2 ZINC000028249186 558693443 /nfs/dbraw/zinc/69/34/43/558693443.db2.gz MTUXJNMUGVRGSI-UHFFFAOYSA-N -1 0 424.544 3.195 50 10 HGCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000015800139 558753969 /nfs/dbraw/zinc/75/39/69/558753969.db2.gz OZYQTYYVJNUVMW-YBEGLDIGSA-N -1 0 407.338 3.314 50 10 HGCARM CCc1ccccc1N1C(=O)C(=Cc2ccc(N3CCN(C)CC3)o2)C(=O)[N-]C1=S ZINC000033291604 558765437 /nfs/dbraw/zinc/76/54/37/558765437.db2.gz LIUQYDCGBFNWRX-SAPNQHFASA-N -1 0 424.526 3.265 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1 ZINC000016993766 558811189 /nfs/dbraw/zinc/81/11/89/558811189.db2.gz OGOYKBIANQQJTM-YRNVUSSQSA-N -1 0 406.148 3.457 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)cc(OC)c1O ZINC000013774121 558868210 /nfs/dbraw/zinc/86/82/10/558868210.db2.gz SMGRDNSCUACZIW-NVNXTCNLSA-N -1 0 410.426 3.001 50 10 HGCARM CCOc1cc(C=C2C(=O)N(c3nnn[n-]3)N=C2C)ccc1OCCc1ccccc1 ZINC000004682591 558894516 /nfs/dbraw/zinc/89/45/16/558894516.db2.gz BZIJPYXKVAFORO-AQTBWJFISA-N -1 0 418.457 3.026 50 10 HGCARM CC(C)c1ccc(/C=C2\SC(=S)N(CC(=O)N3CCC[C@@H]3C(=O)[O-])C2=O)cc1 ZINC000005214650 560542930 /nfs/dbraw/zinc/54/29/30/560542930.db2.gz ZWJFWVOPCBINIL-CCAPLTMGSA-N -1 0 418.540 3.087 50 10 HGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)SC1=S ZINC000002917181 560732811 /nfs/dbraw/zinc/73/28/11/560732811.db2.gz JQHZZNDSOFKVNC-OQLLNIDSSA-N -1 0 417.439 3.331 50 10 HGCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccc2c(c1)n(C)c(=O)n2C ZINC000101513107 560795839 /nfs/dbraw/zinc/79/58/39/560795839.db2.gz UBAJCNBIYMSQKD-RIYZIHGNSA-N -1 0 424.844 3.035 50 10 HGCARM Cc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1C ZINC000103807749 560844467 /nfs/dbraw/zinc/84/44/67/560844467.db2.gz GBUNUWNJZFJVHR-NTEUORMPSA-N -1 0 414.805 3.444 50 10 HGCARM COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCOCC3)c2=O)cc1OC ZINC000020358045 568600465 /nfs/dbraw/zinc/60/04/65/568600465.db2.gz HNVYDWNRFCZXMU-UHFFFAOYSA-N -1 0 411.454 3.323 50 10 biogenic HGCARM Cc1c([C@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cnn1C ZINC000096114996 568694694 /nfs/dbraw/zinc/69/46/94/568694694.db2.gz HRXQMRZWBAAKBP-CYBMUJFWSA-N -1 0 418.405 3.354 50 10 biogenic HGCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(N2Cc3ccccc3C2)cc1 ZINC000005900125 568828811 /nfs/dbraw/zinc/82/88/11/568828811.db2.gz PQXLOOSMGVTQPK-MTJSOVHGSA-N -1 0 413.433 3.462 50 10 HGCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(Br)cc3)C2=O)ccc1O ZINC000001215983 568834609 /nfs/dbraw/zinc/83/46/09/568834609.db2.gz ILHSUMFQRJAXRQ-NTEUORMPSA-N -1 0 403.232 3.015 50 10 HGCARM COc1ccc(N2CCN(Cc3cc(=O)oc4cc([O-])c(Cl)cc34)CC2)cc1 ZINC000054105955 569057628 /nfs/dbraw/zinc/05/76/28/569057628.db2.gz FIBZYEZDWUYPCZ-UHFFFAOYSA-N -1 0 400.862 3.483 50 10 HGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000017198391 569276657 /nfs/dbraw/zinc/27/66/57/569276657.db2.gz NIHKLCXMNKGCOQ-RVDMUPIBSA-N -1 0 415.833 3.326 50 10 HGCARM COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000008872612 571130423 /nfs/dbraw/zinc/13/04/23/571130423.db2.gz WVUQFDPMPPOBTI-BOPFTXTBSA-N -1 0 423.421 3.279 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000009332240 132232712 /nfs/dbraw/zinc/23/27/12/132232712.db2.gz NUQZODSKJUEHMI-RIYZIHGNSA-N -1 0 416.817 3.032 50 10 HGCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]c4ccccc43)C2=O)c1 ZINC000002280038 132251348 /nfs/dbraw/zinc/25/13/48/132251348.db2.gz IEHGJDCVUQOWNE-LFIBNONCSA-N -1 0 405.410 3.160 50 10 HGCARM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000004703297 132283880 /nfs/dbraw/zinc/28/38/80/132283880.db2.gz YXNIDPZRRAGWBX-XSFVSMFZSA-N -1 0 401.422 3.461 50 10 HGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNN1CCCC[C@H]1c1cccnc1 ZINC000006898832 132319960 /nfs/dbraw/zinc/31/99/60/132319960.db2.gz UCKILGJSJQZBJF-UMADGWCESA-N -1 0 407.499 3.285 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1 ZINC000012362852 132359013 /nfs/dbraw/zinc/35/90/13/132359013.db2.gz YVPLAARKUDMTGV-XDHOZWIPSA-N -1 0 402.479 3.320 50 10 HGCARM COc1ccc(N2CCN([C@@H](c3sc4ncnn4c3[O-])c3ccccc3)CC2)cc1 ZINC000022609208 132475052 /nfs/dbraw/zinc/47/50/52/132475052.db2.gz PVAMPUQRTHMDKH-LJQANCHMSA-N -1 0 421.526 3.417 50 10 HGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C(C)=O)c4ccccc34)C2=O)cc1 ZINC000000904397 521039380 /nfs/dbraw/zinc/03/93/80/521039380.db2.gz ATQJCGYYECPQPD-XDHOZWIPSA-N -1 0 417.421 3.367 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000001203249 536597467 /nfs/dbraw/zinc/59/74/67/536597467.db2.gz KJMUJVJECFCOKA-OQLLNIDSSA-N -1 0 417.284 3.289 50 10 HGCARM COc1ccccc1/C=C1\SC(=S)N([N-]S(=O)(=O)c2ccc(C)cc2)C1=O ZINC000003070813 557795395 /nfs/dbraw/zinc/79/53/95/557795395.db2.gz MXFOXSCQVFQTOJ-WJDWOHSUSA-N -1 0 420.537 3.098 50 10 HGCARM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(C(=O)OC)cc1 ZINC000009304357 557835494 /nfs/dbraw/zinc/83/54/94/557835494.db2.gz NSXLZDGQXTVHIT-ZHZULCJRSA-N -1 0 407.426 3.125 50 10 HGCARM COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)c1O ZINC000016115976 558772632 /nfs/dbraw/zinc/77/26/32/558772632.db2.gz BYHMUTLNQCNBLY-QPEQYQDCSA-N -1 0 423.650 3.278 50 10 HGCARM Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)n2)cc1 ZINC000011615513 559114560 /nfs/dbraw/zinc/11/45/60/559114560.db2.gz YFDZROLBKRSYNM-UHFFFAOYSA-N -1 0 414.512 3.110 50 10 HGCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1 ZINC000004857235 559192674 /nfs/dbraw/zinc/19/26/74/559192674.db2.gz FIZHDUNIPFSYLD-UHFFFAOYSA-N -1 0 406.148 3.207 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O ZINC000016156587 560859862 /nfs/dbraw/zinc/85/98/62/560859862.db2.gz YSXOHHRIZZWREZ-WUXMJOGZSA-N -1 0 417.761 3.469 50 10 HGCARM COc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1NC(=O)c1ccccc1 ZINC000000716534 568465724 /nfs/dbraw/zinc/46/57/24/568465724.db2.gz QGTBUAUXLUEPQC-UHFFFAOYSA-N -1 0 416.389 3.446 50 10 HGCARM COc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1Br ZINC000000967020 568758449 /nfs/dbraw/zinc/75/84/49/568758449.db2.gz KHUCIKRVCMDNPU-YRNVUSSQSA-N -1 0 402.291 3.134 50 10 HGCARM CCOC(=O)Cn1cc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000001308035 568913716 /nfs/dbraw/zinc/91/37/16/568913716.db2.gz UKIUYQDQIBOQNH-VCHYOVAHSA-N -1 0 423.856 3.319 50 10 HGCARM CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)N(C)C1=O ZINC000575443021 569028144 /nfs/dbraw/zinc/02/81/44/569028144.db2.gz MHBBAMXDNQMUMA-AQTBWJFISA-N -1 0 422.437 3.178 50 10 HGCARM Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc([O-])c([N+](=O)[O-])c4)S3)CC2)c1 ZINC000036209051 569109995 /nfs/dbraw/zinc/10/99/95/569109995.db2.gz VPMBNCHJGHTGRG-CPNJWEJPSA-N -1 0 424.482 3.401 50 10 HGCARM Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000008710652 571105075 /nfs/dbraw/zinc/10/50/75/571105075.db2.gz AGSAFVNKSTVBCH-UHFFFAOYSA-N -1 0 417.425 3.030 50 10 HGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNN1CCCC[C@H]1c1cccnc1 ZINC000008970969 571197185 /nfs/dbraw/zinc/19/71/85/571197185.db2.gz ZYKGYMJLWTVNBJ-VOGRQWBCSA-N -1 0 409.421 3.260 50 10 HGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 ZINC000008974734 571197552 /nfs/dbraw/zinc/19/75/52/571197552.db2.gz HGRYZDAVDKAXEH-YWXUCKCNSA-N -1 0 405.458 3.429 50 10 HGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000001201872 132242109 /nfs/dbraw/zinc/24/21/09/132242109.db2.gz BRPHOFWXTQCZPN-XNTDXEJSSA-N -1 0 400.431 3.064 50 10 HGCARM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000002898237 536632937 /nfs/dbraw/zinc/63/29/37/536632937.db2.gz UAPHFKWQTOTSJC-GXDHUFHOSA-N -1 0 417.284 3.289 50 10 HGCARM CCc1ccc(/C=C2\C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1 ZINC000000659527 557042657 /nfs/dbraw/zinc/04/26/57/557042657.db2.gz VFVJXDBBMLCXDG-LFIBNONCSA-N -1 0 418.234 3.315 50 10 HGCARM CCCCOC(=O)c1cc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)ccc1Cl ZINC000002071256 557307098 /nfs/dbraw/zinc/30/70/98/557307098.db2.gz WVXCKMOXZWBSOW-UHFFFAOYSA-N -1 0 416.817 3.306 50 10 HGCARM CCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684867 557580983 /nfs/dbraw/zinc/58/09/83/557580983.db2.gz FHRHOKRUBBUHET-IBGZPJMESA-N -1 0 411.414 3.481 50 10 HGCARM CCc1ccccc1N1C(=O)C(=Cc2ccc(N3CCN(C)CC3)o2)C(=O)[N-]C1=S ZINC000019890470 558302942 /nfs/dbraw/zinc/30/29/42/558302942.db2.gz LIUQYDCGBFNWRX-VKAVYKQESA-N -1 0 424.526 3.265 50 10 HGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000020790512 558413783 /nfs/dbraw/zinc/41/37/83/558413783.db2.gz AGKUAKQFARRGKY-UYRXBGFRSA-N -1 0 409.486 3.110 50 10 HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1O ZINC000013540874 558537602 /nfs/dbraw/zinc/53/76/02/558537602.db2.gz OGJAYZDFMVQQDC-UYRXBGFRSA-N -1 0 415.449 3.462 50 10 HGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S ZINC000013690129 558572333 /nfs/dbraw/zinc/57/23/33/558572333.db2.gz OTEBQRBFOSVSMA-FYQHACEVSA-N -1 0 405.526 3.037 50 10 HGCARM O=C1[N-]C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 ZINC000017195960 558825417 /nfs/dbraw/zinc/82/54/17/558825417.db2.gz UAXKSXCPTYKXJA-PQDCBLBRSA-N -1 0 406.438 3.111 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1Cc1ccc(F)cc1 ZINC000013660053 558851516 /nfs/dbraw/zinc/85/15/16/558851516.db2.gz VBISVHVJDSZPSP-UNOMPAQXSA-N -1 0 407.376 3.481 50 10 HGCARM CC[C@@H](C)c1ccccc1OCCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000004672856 558884779 /nfs/dbraw/zinc/88/47/79/558884779.db2.gz MWNSEWHKZOAHSE-OAHLLOKOSA-N -1 0 408.454 3.407 50 10 HGCARM CN(C)c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000004747733 559046061 /nfs/dbraw/zinc/04/60/61/559046061.db2.gz IAYKRFYGTQIKGO-HMMYKYKNSA-N -1 0 406.486 3.338 50 10 HGCARM Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 ZINC000033344596 559065008 /nfs/dbraw/zinc/06/50/08/559065008.db2.gz WGEZPZHLFSAVQD-AUWJEWJLSA-N -1 0 404.425 3.449 50 10 HGCARM O=C([O-])c1cccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c1 ZINC000005557210 560613380 /nfs/dbraw/zinc/61/33/80/560613380.db2.gz SJEVQBCHOSKETM-MDWZMJQESA-N -1 0 404.494 3.286 50 10 HGCARM O=c1cc(-c2ccc(O)c(O)c2)oc2c1c([O-])cc1c2[C@@H](c2ccncc2)CC(=O)O1 ZINC000096114167 568693814 /nfs/dbraw/zinc/69/38/14/568693814.db2.gz CIKNPMUSQDPKAK-CYBMUJFWSA-N -1 0 417.373 3.413 50 10 biogenic HGCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000210985210 568749923 /nfs/dbraw/zinc/74/99/23/568749923.db2.gz IUYGCYVYZMBTPC-SFQUDFHCSA-N -1 0 424.913 3.285 50 10 HGCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)SC1=S ZINC000002917183 568816379 /nfs/dbraw/zinc/81/63/79/568816379.db2.gz JQHZZNDSOFKVNC-DHDCSXOGSA-N -1 0 417.439 3.331 50 10 HGCARM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(=O)N1 ZINC000001177584 568821463 /nfs/dbraw/zinc/82/14/63/568821463.db2.gz JHJNBNDLVRVXMN-UHFFFAOYSA-N -1 0 403.354 3.037 50 10 HGCARM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc2s1 ZINC000015863379 569016082 /nfs/dbraw/zinc/01/60/82/569016082.db2.gz RSWWTMITHOBSFB-UHFFFAOYSA-N -1 0 419.513 3.450 50 10 HGCARM CC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc2s1 ZINC000015870097 569017173 /nfs/dbraw/zinc/01/71/73/569017173.db2.gz LDWXFDVTCANWMR-UHFFFAOYSA-N -1 0 405.486 3.060 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000006885952 569169488 /nfs/dbraw/zinc/16/94/88/569169488.db2.gz XRVQGWOFWSOEHJ-ATVHPVEESA-N -1 0 408.845 3.120 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1O ZINC000001177565 132240388 /nfs/dbraw/zinc/24/03/88/132240388.db2.gz XXCIIABNRRBIQK-NTUHNPAUSA-N -1 0 400.818 3.337 50 10 HGCARM COc1cc(OC)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000001192650 132241431 /nfs/dbraw/zinc/24/14/31/132241431.db2.gz XRPJCUSVAHJIOV-GDNBJRDFSA-N -1 0 416.817 3.032 50 10 HGCARM COC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000001199371 132241885 /nfs/dbraw/zinc/24/18/85/132241885.db2.gz LRTOUMFQWFPFQC-MHWRWJLKSA-N -1 0 424.409 3.062 50 10 HGCARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001205065 132242401 /nfs/dbraw/zinc/24/24/01/132242401.db2.gz JIQJQGGBYVQVLK-GDNBJRDFSA-N -1 0 417.284 3.289 50 10 HGCARM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)o3)C2=O)ccc1Br ZINC000001210730 132242559 /nfs/dbraw/zinc/24/25/59/132242559.db2.gz MFXOZCRPOHZSAF-UKTHLTGXSA-N -1 0 418.247 3.083 50 10 HGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(OC)c1OC ZINC000002287598 132251583 /nfs/dbraw/zinc/25/15/83/132251583.db2.gz HZSBWLJFKXDRGQ-ZRDIBKRKSA-N -1 0 400.362 3.358 50 10 HGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)s3)C2=O)c1 ZINC000004460096 132277328 /nfs/dbraw/zinc/27/73/28/132277328.db2.gz RNPLTGWAPZKTKS-WQLSENKSSA-N -1 0 407.245 3.186 50 10 HGCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(O)c(OC)c2)C1=O ZINC000004724291 132285868 /nfs/dbraw/zinc/28/58/68/132285868.db2.gz VVVUWUWTDQYKMW-JYRVWZFOSA-N -1 0 400.818 3.283 50 10 HGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3nnc(-c4ccccc4)s3)C2=O)c1 ZINC000004838022 132289972 /nfs/dbraw/zinc/28/99/72/132289972.db2.gz HJMVNUJREXMLEM-PTNGSMBKSA-N -1 0 405.439 3.092 50 10 HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000006174126 132309360 /nfs/dbraw/zinc/30/93/60/132309360.db2.gz FGOZTRCJPDXUPC-CNJGYECJSA-N -1 0 423.538 3.424 50 10 HGCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000009009760 132334910 /nfs/dbraw/zinc/33/49/10/132334910.db2.gz YWAUYPJCEQGWFH-GXDHUFHOSA-N -1 0 414.874 3.042 50 10 HGCARM Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCN(C)CC4)o3)C(=O)[N-]C2=S)cc1 ZINC000012363031 132359027 /nfs/dbraw/zinc/35/90/27/132359027.db2.gz KVMFSQIVRLCLRR-LGMDPLHJSA-N -1 0 410.499 3.011 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1F ZINC000001152155 557211626 /nfs/dbraw/zinc/21/16/26/557211626.db2.gz FXRFFUSQVKGQMJ-GZTJUZNOSA-N -1 0 407.401 3.488 50 10 HGCARM O=C([O-])c1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000020030316 558324087 /nfs/dbraw/zinc/32/40/87/558324087.db2.gz FNRZVLGPOCOEHB-UHFFFAOYSA-N -1 0 416.842 3.372 50 10 HGCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1ccccc1Cl ZINC000013552880 558539555 /nfs/dbraw/zinc/53/95/55/558539555.db2.gz IRTXMMCNJORYLN-GZTJUZNOSA-N -1 0 409.829 3.445 50 10 HGCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)cc1O ZINC000013686563 558569924 /nfs/dbraw/zinc/56/99/24/558569924.db2.gz ODTSEKXUUPMZNF-FRKPEAEDSA-N -1 0 409.448 3.439 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000013773799 558592127 /nfs/dbraw/zinc/59/21/27/558592127.db2.gz NUQZODSKJUEHMI-ZSOIEALJSA-N -1 0 416.817 3.032 50 10 HGCARM O=C([O-])c1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cccc1[N+](=O)[O-] ZINC000016192650 558777180 /nfs/dbraw/zinc/77/71/80/558777180.db2.gz HKQIHYLDWUFZGI-UHFFFAOYSA-N -1 0 416.345 3.321 50 10 HGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(OC)ccc3OC)C2=O)c(OC)c1 ZINC000017029385 558812396 /nfs/dbraw/zinc/81/23/96/558812396.db2.gz BHBBKBBRGQLYES-DHDCSXOGSA-N -1 0 412.398 3.228 50 10 HGCARM CCOC(=O)Cn1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000017146228 558824050 /nfs/dbraw/zinc/82/40/50/558824050.db2.gz UKIUYQDQIBOQNH-ZDLGFXPLSA-N -1 0 423.856 3.319 50 10 HGCARM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(N4CCN(C)CC4)o3)C(=O)[N-]C2=S)c1 ZINC000017207391 558825842 /nfs/dbraw/zinc/82/58/42/558825842.db2.gz AFNRYVGYYSUTBV-AQTBWJFISA-N -1 0 424.526 3.320 50 10 HGCARM O=C([O-])c1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)c1 ZINC000004745505 559046518 /nfs/dbraw/zinc/04/65/18/559046518.db2.gz IITZLYMEZXYHJO-GXDHUFHOSA-N -1 0 402.453 3.208 50 10 HGCARM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(OC)ccc1OC ZINC000004999623 559226241 /nfs/dbraw/zinc/22/62/41/559226241.db2.gz DGMXNJFZOPONBY-STZFKDTASA-N -1 0 409.442 3.356 50 10 HGCARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1 ZINC000005499474 560598261 /nfs/dbraw/zinc/59/82/61/560598261.db2.gz HGARMNQFOGNNAX-GDNBJRDFSA-N -1 0 408.501 3.229 50 10 HGCARM COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)[O-])C2=O)c1 ZINC000005501266 560601166 /nfs/dbraw/zinc/60/11/66/560601166.db2.gz MZRHXSZHLGJRSN-CJAAZZPWSA-N -1 0 413.542 3.111 50 10 HGCARM COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCc1cccc2ccccc21 ZINC000001197908 560727774 /nfs/dbraw/zinc/72/77/74/560727774.db2.gz YJGNEXMSJQHPFB-UHFFFAOYSA-N -1 0 402.406 3.177 50 10 HGCARM CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCOCC2)c1[O-] ZINC000020789855 568643840 /nfs/dbraw/zinc/64/38/40/568643840.db2.gz DSYQEYPVKFDJDP-UHFFFAOYSA-N -1 0 405.454 3.437 50 10 HGCARM Cn1cc([C@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cn1 ZINC000096115580 568695321 /nfs/dbraw/zinc/69/53/21/568695321.db2.gz FYNQLTFWPOMIQX-CYBMUJFWSA-N -1 0 404.378 3.046 50 10 biogenic HGCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(Cc3ccccc3)C2=O)SC1=S ZINC000001282007 568910659 /nfs/dbraw/zinc/91/06/59/568910659.db2.gz YWCQOARNKAIEBI-ICDILTBESA-N -1 0 424.503 3.278 50 10 HGCARM O=C([N-]N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccccc1[N+](=O)[O-] ZINC000001476270 569000329 /nfs/dbraw/zinc/00/03/29/569000329.db2.gz OCWBNGUEAYZBNB-ZROIWOOFSA-N -1 0 403.416 3.280 50 10 HGCARM CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000006242363 569034569 /nfs/dbraw/zinc/03/45/69/569034569.db2.gz RTSIMANDKHVQJR-LDADJPATSA-N -1 0 407.426 3.059 50 10 HGCARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 ZINC000035640537 569047058 /nfs/dbraw/zinc/04/70/58/569047058.db2.gz LCGJRWOLCNBEHQ-UVTDQMKNSA-N -1 0 402.453 3.208 50 10 HGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000016450254 569051511 /nfs/dbraw/zinc/05/15/11/569051511.db2.gz IPXSHLQHRWQXMK-FLIBITNWSA-N -1 0 421.247 3.125 50 10 HGCARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001854503 569056640 /nfs/dbraw/zinc/05/66/40/569056640.db2.gz PGHPNBMZMIKPIE-JYRVWZFOSA-N -1 0 404.494 3.286 50 10 HGCARM O=C([O-])CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)SC1=S ZINC000013343708 569255234 /nfs/dbraw/zinc/25/52/34/569255234.db2.gz VNVVKBSBEMOHFE-CXUHLZMHSA-N -1 0 422.491 3.220 50 10 HGCARM CN(c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])SC1=S ZINC000002203645 569296041 /nfs/dbraw/zinc/29/60/41/569296041.db2.gz PWZSNIRVRPNKBX-WJDWOHSUSA-N -1 0 400.481 3.403 50 10 HGCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000000758812 132232540 /nfs/dbraw/zinc/23/25/40/132232540.db2.gz CNSYNKHMRYRYBD-LFIBNONCSA-N -1 0 418.280 3.291 50 10 HGCARM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)c1 ZINC000001135147 132238567 /nfs/dbraw/zinc/23/85/67/132238567.db2.gz WOBHCNIZBSCLAA-LDADJPATSA-N -1 0 423.444 3.491 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OC ZINC000001207423 132242329 /nfs/dbraw/zinc/24/23/29/132242329.db2.gz RTDNNQZWEXCNES-RIYZIHGNSA-N -1 0 411.370 3.427 50 10 HGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1OCC ZINC000004723773 132285961 /nfs/dbraw/zinc/28/59/61/132285961.db2.gz CKCCXPJKLHHNDV-MHWRWJLKSA-N -1 0 414.458 3.454 50 10 HGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3Br)C2=O)c1 ZINC000006860660 132319304 /nfs/dbraw/zinc/31/93/04/132319304.db2.gz OKPAMVIGXJBYJV-RAXLEYEMSA-N -1 0 400.232 3.336 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Br)s1 ZINC000006997667 132321938 /nfs/dbraw/zinc/32/19/38/132321938.db2.gz QHXRFLHPZVEVOO-XFFZJAGNSA-N -1 0 411.277 3.481 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)cc(OC)c1O ZINC000009332871 132338745 /nfs/dbraw/zinc/33/87/45/132338745.db2.gz SMGRDNSCUACZIW-OVCLIPMQSA-N -1 0 410.426 3.001 50 10 HGCARM COc1ccc(/C=C2/SC(=S)N([C@@H](CCSC)C(=O)[O-])C2=O)c(OC)c1 ZINC000001799729 557289031 /nfs/dbraw/zinc/28/90/31/557289031.db2.gz UVUMEQJXUQOXTP-ACLQVGRQSA-N -1 0 413.542 3.111 50 10 HGCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001806832 557289926 /nfs/dbraw/zinc/28/99/26/557289926.db2.gz JGUDVMXQHQXPDZ-DFSFMLJYSA-N -1 0 414.464 3.492 50 10 HGCARM CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)[O-])SC1=S ZINC000003005286 557440666 /nfs/dbraw/zinc/44/06/66/557440666.db2.gz UGSIXIKZQGWHFJ-WDZFZDKYSA-N -1 0 402.291 3.134 50 10 HGCARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000008435017 557788874 /nfs/dbraw/zinc/78/88/74/557788874.db2.gz VYTXEFUNJGJLFZ-UHFFFAOYSA-N -1 0 421.430 3.049 50 10 HGCARM N=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(N3CCCC3)=NN21 ZINC000020356246 558357312 /nfs/dbraw/zinc/35/73/12/558357312.db2.gz DHNAPKMJRLFRCI-AHGASWNPSA-N -1 0 410.286 3.371 50 10 HGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S ZINC000013719663 558581040 /nfs/dbraw/zinc/58/10/40/558581040.db2.gz QORRAKRGRGDELQ-FNWMBBJUSA-N -1 0 405.526 3.037 50 10 HGCARM CC(C)CCN1c2ccccc2/C(=C2/SC(=S)N(CCC(=O)[O-])C2=O)C1=O ZINC000013773971 558592171 /nfs/dbraw/zinc/59/21/71/558592171.db2.gz NPFHIHMQMGBAGQ-NXVVXOECSA-N -1 0 404.513 3.125 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1C ZINC000015769256 560856137 /nfs/dbraw/zinc/85/61/37/560856137.db2.gz PCDBKMAXGFIPJH-OVCLIPMQSA-N -1 0 418.316 3.236 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000109626540 568429675 /nfs/dbraw/zinc/42/96/75/568429675.db2.gz XRVQGWOFWSOEHJ-SFQUDFHCSA-N -1 0 408.845 3.120 50 10 HGCARM COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1 ZINC000008753601 571112668 /nfs/dbraw/zinc/11/26/68/571112668.db2.gz ZSDAFWXYRGKVDO-NVNXTCNLSA-N -1 0 415.448 3.283 50 10 HGCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000000693332 132231034 /nfs/dbraw/zinc/23/10/34/132231034.db2.gz LFARTDMPRJJSBH-QPEQYQDCSA-N -1 0 414.801 3.134 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000001095368 132237096 /nfs/dbraw/zinc/23/70/96/132237096.db2.gz UWPWFGVSVAMTRL-LICLKQGHSA-N -1 0 419.368 3.012 50 10 HGCARM CCn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 ZINC000000874088 523305440 /nfs/dbraw/zinc/30/54/40/523305440.db2.gz BGZFVKMJVRHRBC-SXGWCWSVSA-N -1 0 403.394 3.056 50 10 HGCARM O=C([O-])Cc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 ZINC000008767969 527637510 /nfs/dbraw/zinc/63/75/10/527637510.db2.gz VBNIKUBYMXYLEB-NXVVXOECSA-N -1 0 414.439 3.181 50 10 HGCARM COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c2C)cc1 ZINC000001104844 557180091 /nfs/dbraw/zinc/18/00/91/557180091.db2.gz GAGPWKYYYBMUAG-CXUHLZMHSA-N -1 0 402.497 3.389 50 10 HGCARM CCN1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)C1=O ZINC000001134810 557200534 /nfs/dbraw/zinc/20/05/34/557200534.db2.gz VYDXFARXARPMHN-BRFSQIRFSA-N -1 0 422.485 3.364 50 10 HGCARM Cc1ccc(CN2c3ccccc3/C(=C3/SC(=S)N(CC(=O)[O-])C3=O)C2=O)cc1 ZINC000001815260 557290439 /nfs/dbraw/zinc/29/04/39/557290439.db2.gz YNAKTFRNKWSYAT-ZCXUNETKSA-N -1 0 424.503 3.198 50 10 HGCARM O=C([N-]N1C(=O)/C(=C\c2coc3ccccc3c2=O)SC1=S)c1cccs1 ZINC000013945830 558607139 /nfs/dbraw/zinc/60/71/39/558607139.db2.gz GXWLIEAGSVUCJG-RIYZIHGNSA-N -1 0 414.489 3.401 50 10 HGCARM O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000027019346 558668444 /nfs/dbraw/zinc/66/84/44/558668444.db2.gz IMJOUYVSUVPUMG-ZROIWOOFSA-N -1 0 413.473 3.175 50 10 HGCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1O ZINC000015837529 558756212 /nfs/dbraw/zinc/75/62/12/558756212.db2.gz UYEMZLBFEYSANV-XFFZJAGNSA-N -1 0 404.781 3.250 50 10 HGCARM Cc1ccc(N2[N-]C(=O)/C(=C\c3cccc(I)c3)C2=O)cc1C ZINC000016312119 558785765 /nfs/dbraw/zinc/78/57/65/558785765.db2.gz DQNAHIBJSXSZRU-MHWRWJLKSA-N -1 0 418.234 3.369 50 10 HGCARM Cc1ccc(OCCn2cccc2/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000013635792 558849324 /nfs/dbraw/zinc/84/93/24/558849324.db2.gz MBFWLLMQLRTWSM-ZHZULCJRSA-N -1 0 419.437 3.131 50 10 HGCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1ccc(Cl)cc1 ZINC000013688195 558855133 /nfs/dbraw/zinc/85/51/33/558855133.db2.gz ZBHSJPDIWMGHOQ-WQRHYEAKSA-N -1 0 409.829 3.445 50 10 HGCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000004771048 559057348 /nfs/dbraw/zinc/05/73/48/559057348.db2.gz WJRWAXAVSKIVCC-MLPAPPSSSA-N -1 0 404.300 3.101 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OC ZINC000005173480 559288289 /nfs/dbraw/zinc/28/82/89/559288289.db2.gz KKWVWVGBIIJDBV-AUWJEWJLSA-N -1 0 402.834 3.136 50 10 HGCARM COc1cc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)ccc1O ZINC000001452161 560583288 /nfs/dbraw/zinc/58/32/88/560583288.db2.gz RYBBZFHEKOTILB-KMPOOHAWSA-N -1 0 401.465 3.428 50 10 HGCARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005529058 560604901 /nfs/dbraw/zinc/60/49/01/560604901.db2.gz PGHPNBMZMIKPIE-MDWZMJQESA-N -1 0 404.494 3.286 50 10 HGCARM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1 ZINC000001185519 560727722 /nfs/dbraw/zinc/72/77/22/560727722.db2.gz JADMVOCTKOGMSY-UHFFFAOYSA-N -1 0 401.762 3.417 50 10 HGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNN2CCCC[C@H]2c2cccnc2)C1=O ZINC000020391472 568604017 /nfs/dbraw/zinc/60/40/17/568604017.db2.gz CIYJBNZKEXNPPH-FCUDFIOSSA-N -1 0 405.458 3.429 50 10 HGCARM O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 ZINC000002936748 568818631 /nfs/dbraw/zinc/81/86/31/568818631.db2.gz LBEROERBNFLFSB-DHDCSXOGSA-N -1 0 416.455 3.364 50 10 HGCARM COc1cc(OC)c(OC)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000001192647 568823056 /nfs/dbraw/zinc/82/30/56/568823056.db2.gz AVMUPKVMGMDAJC-ZSOIEALJSA-N -1 0 416.817 3.032 50 10 HGCARM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cccc4nsnc43)cc2C)s1 ZINC000015863383 569016115 /nfs/dbraw/zinc/01/61/15/569016115.db2.gz JOUNTKZRFPSYGU-UHFFFAOYSA-N -1 0 419.513 3.369 50 10 HGCARM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1c([O-])ccc(C(=O)COc2ccccc2)c1O ZINC000004026907 569060800 /nfs/dbraw/zinc/06/08/00/569060800.db2.gz XBIJTXYSKHNOQK-HXUWFJFHSA-N -1 0 421.449 3.145 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000000665109 132230258 /nfs/dbraw/zinc/23/02/58/132230258.db2.gz GXLYVSZTOVKCLU-NTEUORMPSA-N -1 0 405.248 3.420 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc(OC)c1O ZINC000001201117 132241842 /nfs/dbraw/zinc/24/18/42/132241842.db2.gz WCNUHXQPAMYCJM-CXUHLZMHSA-N -1 0 410.426 3.199 50 10 HGCARM O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)C1=CNCCc1ccccc1 ZINC000001881671 132248296 /nfs/dbraw/zinc/24/82/96/132248296.db2.gz PLSQXGOCGXJCOF-CYVLTUHYSA-N -1 0 401.491 3.304 50 10 HGCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1C ZINC000004754899 132287661 /nfs/dbraw/zinc/28/76/61/132287661.db2.gz HMMFTAGOEZZTCH-DHDCSXOGSA-N -1 0 416.275 3.379 50 10 HGCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccccn1 ZINC000009265371 132337971 /nfs/dbraw/zinc/33/79/71/132337971.db2.gz AEKQKRLSYSONLQ-AQTBWJFISA-N -1 0 400.438 3.464 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000002915736 536597705 /nfs/dbraw/zinc/59/77/05/536597705.db2.gz MLCUBYFNTVXGSV-RIYZIHGNSA-N -1 0 402.859 3.189 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)c1 ZINC000001203658 536597807 /nfs/dbraw/zinc/59/78/07/536597807.db2.gz KYCATNCMRCKFHQ-CXUHLZMHSA-N -1 0 415.243 3.433 50 10 HGCARM O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 ZINC000002936746 557428326 /nfs/dbraw/zinc/42/83/26/557428326.db2.gz LBEROERBNFLFSB-OQLLNIDSSA-N -1 0 416.455 3.364 50 10 HGCARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@H]2c2ccccc2O)cc1 ZINC000003641478 557495947 /nfs/dbraw/zinc/49/59/47/557495947.db2.gz NGDXXAMCXAVZJP-HXUWFJFHSA-N -1 0 409.467 3.161 50 10 HGCARM Cc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] ZINC000013576563 558543569 /nfs/dbraw/zinc/54/35/69/558543569.db2.gz AKWMPYUACDSPOF-ZSOIEALJSA-N -1 0 402.204 3.127 50 10 HGCARM CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000014010688 558613254 /nfs/dbraw/zinc/61/32/54/558613254.db2.gz YJGQGDLOHGXPNH-UVTDQMKNSA-N -1 0 414.259 3.182 50 10 HGCARM COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000014010799 558613318 /nfs/dbraw/zinc/61/33/18/558613318.db2.gz MVOWYCJJMZCYSG-UVTDQMKNSA-N -1 0 401.216 3.124 50 10 HGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000017166985 558824508 /nfs/dbraw/zinc/82/45/08/558824508.db2.gz LFARTDMPRJJSBH-NTUHNPAUSA-N -1 0 414.801 3.134 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)=O ZINC000033341758 559064900 /nfs/dbraw/zinc/06/49/00/559064900.db2.gz QZFCSQMVFKMKBN-OVCLIPMQSA-N -1 0 400.818 3.044 50 10 HGCARM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 ZINC000011857456 559262419 /nfs/dbraw/zinc/26/24/19/559262419.db2.gz DCJRKRSPOHRJIQ-UHFFFAOYSA-N -1 0 401.469 3.250 50 10 HGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Br)cn1 ZINC000017281755 560705577 /nfs/dbraw/zinc/70/55/77/560705577.db2.gz FTUCKSITLSRTJP-WQLSENKSSA-N -1 0 421.638 3.076 50 10 HGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNN2CCCC[C@@H]2c2cccnc2)C1=O ZINC000020391469 568604042 /nfs/dbraw/zinc/60/40/42/568604042.db2.gz CIYJBNZKEXNPPH-RBAUTDOXSA-N -1 0 405.458 3.429 50 10 HGCARM COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCN(C)CC3)c2=O)cc1OC ZINC000020410369 568605185 /nfs/dbraw/zinc/60/51/85/568605185.db2.gz ZWFNWOXAYYWPMF-UHFFFAOYSA-N -1 0 424.497 3.239 50 10 biogenic HGCARM O=c1cc(-c2ccc(O)c(O)c2)oc2c1c([O-])cc1c2[C@@H](c2cccnc2)CC(=O)O1 ZINC000096114552 568694354 /nfs/dbraw/zinc/69/43/54/568694354.db2.gz AWCSCIFTABHQHU-CYBMUJFWSA-N -1 0 417.373 3.413 50 10 biogenic HGCARM COc1ccccc1/C=C1\SC(=S)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000001828920 568838313 /nfs/dbraw/zinc/83/83/13/568838313.db2.gz OADVPXJEBYYHQA-GDNBJRDFSA-N -1 0 415.452 3.150 50 10 HGCARM O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001300993 568913136 /nfs/dbraw/zinc/91/31/36/568913136.db2.gz YSSXKLSQJQVUIG-GXDHUFHOSA-N -1 0 410.929 3.435 50 10 HGCARM O=C([N-]N1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccccc1[N+](=O)[O-] ZINC000001845659 569056504 /nfs/dbraw/zinc/05/65/04/569056504.db2.gz MWAKLOWETMFLIH-OXTPFRESSA-N -1 0 401.425 3.290 50 10 HGCARM O=C1OCc2cc(-c3ccc(/C=C4\C(=O)[N-]N(c5ccc(F)cc5)C4=O)o3)ccc21 ZINC000002315919 569373075 /nfs/dbraw/zinc/37/30/75/569373075.db2.gz KFWRAQFSFXZXJK-VCHYOVAHSA-N -1 0 404.353 3.218 50 10 HGCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000002369630 569388678 /nfs/dbraw/zinc/38/86/78/569388678.db2.gz AGEJJTDULHHQCM-CYVLTUHYSA-N -1 0 406.486 3.153 50 10 HGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 ZINC000008994346 571208167 /nfs/dbraw/zinc/20/81/67/571208167.db2.gz HETXIURXTGWMII-YWXUCKCNSA-N -1 0 421.457 3.129 50 10 HGCARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1 ZINC000009553691 571268311 /nfs/dbraw/zinc/26/83/11/571268311.db2.gz JPJJFZMHMZRKQQ-KSHDEOPHSA-N -1 0 416.503 3.145 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC ZINC000000642063 132229576 /nfs/dbraw/zinc/22/95/76/132229576.db2.gz OLGACXGFLDOYPL-AWNIVKPZSA-N -1 0 420.849 3.328 50 10 HGCARM COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)[N-]C1=S ZINC000000665466 132230552 /nfs/dbraw/zinc/23/05/52/132230552.db2.gz VVNQXJUUIQEWPX-GHRIWEEISA-N -1 0 419.462 3.023 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000001095357 132237081 /nfs/dbraw/zinc/23/70/81/132237081.db2.gz SVVDYUMVXPFBGQ-RVDMUPIBSA-N -1 0 401.875 3.365 50 10 HGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000005032856 132298909 /nfs/dbraw/zinc/29/89/09/132298909.db2.gz GHHSZGIAJRFGEP-QGOAFFKASA-N -1 0 412.490 3.416 50 10 HGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000005041016 132299158 /nfs/dbraw/zinc/29/91/58/132299158.db2.gz QFQGLXWXXXFPAQ-DTQAZKPQSA-N -1 0 412.490 3.416 50 10 HGCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 ZINC000009379945 132339296 /nfs/dbraw/zinc/33/92/96/132339296.db2.gz IAJHPZRXNKORPO-UNOMPAQXSA-N -1 0 421.497 3.356 50 10 HGCARM CCc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(C(N)=O)cc4)o3)C2=O)cc1 ZINC000032099662 523966102 /nfs/dbraw/zinc/96/61/02/523966102.db2.gz LRTSGDWWHLDPLW-UYRXBGFRSA-N -1 0 401.422 3.069 50 10 HGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(OC)ccc3OC)C2=O)ccc1O ZINC000002281554 535659351 /nfs/dbraw/zinc/65/93/51/535659351.db2.gz MOWGNBISUVZTQT-NTEUORMPSA-N -1 0 412.398 3.315 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1C ZINC000001150722 536598540 /nfs/dbraw/zinc/59/85/40/536598540.db2.gz IBLLHNFYYPFTIZ-XNTDXEJSSA-N -1 0 400.818 3.332 50 10 HGCARM CCN1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)C1=O ZINC000001134808 557200512 /nfs/dbraw/zinc/20/05/12/557200512.db2.gz VYDXFARXARPMHN-GYZOOYGHSA-N -1 0 422.485 3.364 50 10 HGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000003097675 557446272 /nfs/dbraw/zinc/44/62/72/557446272.db2.gz DHRYOFLOCMISQW-UHFFFAOYSA-N -1 0 411.370 3.162 50 10 HGCARM CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000003641459 557496035 /nfs/dbraw/zinc/49/60/35/557496035.db2.gz UHPBKQBWHFEVND-OAQYLSRUSA-N -1 0 422.510 3.213 50 10 HGCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(Oc4cccc(OC)c4)coc32)CC1 ZINC000020503701 558381318 /nfs/dbraw/zinc/38/13/18/558381318.db2.gz WYGUEBNTOGECHZ-UHFFFAOYSA-N -1 0 410.470 3.437 50 10 HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccnc1 ZINC000013571236 558542085 /nfs/dbraw/zinc/54/20/85/558542085.db2.gz SLRLXWMFRYGUCB-BOPFTXTBSA-N -1 0 420.469 3.460 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc(Br)c1O ZINC000013577250 558543838 /nfs/dbraw/zinc/54/38/38/558543838.db2.gz CUHWDVVYPFZCKT-XGICHPGQSA-N -1 0 423.650 3.278 50 10 HGCARM COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000013730947 558586465 /nfs/dbraw/zinc/58/64/65/558586465.db2.gz XOKDJJLUVGFNIQ-XETPBLJFSA-N -1 0 418.496 3.265 50 10 HGCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000026771417 558665048 /nfs/dbraw/zinc/66/50/48/558665048.db2.gz JGUDVMXQHQXPDZ-YLQKULKDSA-N -1 0 414.464 3.492 50 10 HGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(Br)c3)C2=O)cc1 ZINC000015930210 558762517 /nfs/dbraw/zinc/76/25/17/558762517.db2.gz ULUBIMWIUHJSDE-GDNBJRDFSA-N -1 0 400.232 3.336 50 10 HGCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)c(O)c1 ZINC000016157493 558774049 /nfs/dbraw/zinc/77/40/49/558774049.db2.gz IKRVVZFMUCSRBH-DHDCSXOGSA-N -1 0 403.841 3.492 50 10 HGCARM CCc1nnc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1 ZINC000004601092 558840751 /nfs/dbraw/zinc/84/07/51/558840751.db2.gz GPOGDOVJZORWDO-UHFFFAOYSA-N -1 0 408.395 3.036 50 10 HGCARM CCOc1cc(/C=C2\SC(=S)N([C@H](CCSC)C(=O)[O-])C2=O)ccc1O ZINC000013661167 558851645 /nfs/dbraw/zinc/85/16/45/558851645.db2.gz WBPHXDQRAIJKJY-RLIURORJSA-N -1 0 413.542 3.198 50 10 HGCARM CCCC[C@H](CC)COCCCNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000100164115 559167591 /nfs/dbraw/zinc/16/75/91/559167591.db2.gz HMOONHOADOQKQX-BYFYWULKSA-N -1 0 401.507 3.366 50 10 HGCARM COC(=O)c1cc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1Cl ZINC000101350239 560793291 /nfs/dbraw/zinc/79/32/91/560793291.db2.gz FHZOJCOPTVJWGH-XNTDXEJSSA-N -1 0 413.817 3.014 50 10 HGCARM CCN(CC)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000095471470 568626709 /nfs/dbraw/zinc/62/67/09/568626709.db2.gz UGNVIRYUKFJQDC-RGEXLXHISA-N -1 0 420.469 3.056 50 10 HGCARM O=c1cc(-c2ccc(O)c(O)c2)oc2c1c([O-])cc1c2[C@H](c2ccncc2)CC(=O)O1 ZINC000096114166 568694050 /nfs/dbraw/zinc/69/40/50/568694050.db2.gz CIKNPMUSQDPKAK-ZDUSSCGKSA-N -1 0 417.373 3.413 50 10 biogenic HGCARM Cc1c([C@@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cnn1C ZINC000096114995 568694710 /nfs/dbraw/zinc/69/47/10/568694710.db2.gz HRXQMRZWBAAKBP-ZDUSSCGKSA-N -1 0 418.405 3.354 50 10 biogenic HGCARM O=C(Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1)c1ccco1 ZINC000001119833 568771172 /nfs/dbraw/zinc/77/11/72/568771172.db2.gz TWRZQCLSMNCJIY-ATVHPVEESA-N -1 0 420.352 3.304 50 10 HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000015800089 569009969 /nfs/dbraw/zinc/00/99/69/569009969.db2.gz DFBUQCAWVZDUGC-ODLFYWEKSA-N -1 0 407.401 3.488 50 10 HGCARM COc1ccc(Oc2c(C)oc3c(ccc([O-])c3CN3CCN(C)CC3)c2=O)cc1 ZINC000019370024 569124427 /nfs/dbraw/zinc/12/44/27/569124427.db2.gz PFTPINSRVAPWOU-UHFFFAOYSA-N -1 0 410.470 3.355 50 10 HGCARM CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCN(C)CC2)c1[O-] ZINC000019682122 569428380 /nfs/dbraw/zinc/42/83/80/569428380.db2.gz OHZHITNUDDGFOA-UHFFFAOYSA-N -1 0 418.497 3.352 50 10 HGCARM CCN(CC)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000009016166 132227978 /nfs/dbraw/zinc/22/79/78/132227978.db2.gz XAUFRZIFNABNKM-HMMYKYKNSA-N -1 0 406.486 3.470 50 10 HGCARM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000001151378 132239366 /nfs/dbraw/zinc/23/93/66/132239366.db2.gz OXVKZVXYVPPNNX-GHRIWEEISA-N -1 0 421.453 3.456 50 10 HGCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000001220274 132242892 /nfs/dbraw/zinc/24/28/92/132242892.db2.gz BKPODOLNHJJRDQ-WUXMJOGZSA-N -1 0 421.634 3.475 50 10 HGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(F)cc3)C2=O)cc1 ZINC000004550448 132278363 /nfs/dbraw/zinc/27/83/63/132278363.db2.gz DIYMTSFSTRVFEO-UYRXBGFRSA-N -1 0 405.385 3.291 50 10 HGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNN2CCCC[C@H]2c2cccnc2)C1=O ZINC000008968955 132334157 /nfs/dbraw/zinc/33/41/57/132334157.db2.gz CIYJBNZKEXNPPH-FLXZHSAZSA-N -1 0 405.458 3.429 50 10 HGCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000009013439 132335024 /nfs/dbraw/zinc/33/50/24/132335024.db2.gz FAQNFJNBWQWYBB-XDHOZWIPSA-N -1 0 406.442 3.347 50 10 HGCARM COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000001169934 536657984 /nfs/dbraw/zinc/65/79/84/536657984.db2.gz APFIIMKDCGFKFU-XMHGGMMESA-N -1 0 403.463 3.317 50 10 HGCARM COc1ccc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)[O-])C2=O)c(OC)c1 ZINC000001799732 557288943 /nfs/dbraw/zinc/28/89/43/557288943.db2.gz UVUMEQJXUQOXTP-ZBQKXELDSA-N -1 0 413.542 3.111 50 10 HGCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000002815874 557394946 /nfs/dbraw/zinc/39/49/46/557394946.db2.gz URSGPXOBQKRWAO-CNYBTUBUSA-N -1 0 414.464 3.492 50 10 HGCARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000002930407 557427812 /nfs/dbraw/zinc/42/78/12/557427812.db2.gz ZQTLVFSWKFEPPK-OQLLNIDSSA-N -1 0 416.455 3.364 50 10 HGCARM COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)o1 ZINC000002969603 557432254 /nfs/dbraw/zinc/43/22/54/557432254.db2.gz KMRPRKIJVWXNSF-RIYZIHGNSA-N -1 0 403.437 3.019 50 10 HGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1 ZINC000004704539 557584665 /nfs/dbraw/zinc/58/46/65/557584665.db2.gz OWZXIWJSMUOSPB-JXAWBTAJSA-N -1 0 409.442 3.335 50 10 HGCARM CC(C)(C)c1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1 ZINC000002947594 557773684 /nfs/dbraw/zinc/77/36/84/557773684.db2.gz BLGXGXAFBFUKNK-UHFFFAOYSA-N -1 0 408.454 3.191 50 10 HGCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000009287830 557834607 /nfs/dbraw/zinc/83/46/07/557834607.db2.gz TWCIEMJYDPNODF-UHFFFAOYSA-N -1 0 416.389 3.139 50 10 HGCARM COc1ccc(/C=C2\SC(=S)N([C@H](CCSC)C(=O)[O-])C2=O)cc1OC ZINC000012625299 558440109 /nfs/dbraw/zinc/44/01/09/558440109.db2.gz OOHQCVTWMGHBOB-RLIURORJSA-N -1 0 413.542 3.111 50 10 HGCARM COc1cc(C=C2SC(NCC(=O)[O-])=NC2=O)ccc1OCc1ccc(F)cc1 ZINC000004387563 558488164 /nfs/dbraw/zinc/48/81/64/558488164.db2.gz STNGDYPAZLEDNQ-MFOYZWKCSA-N -1 0 416.430 3.058 50 10 HGCARM COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N([C@H](C(=O)[O-])C(C)C)C1=O ZINC000013730944 558586505 /nfs/dbraw/zinc/58/65/05/558586505.db2.gz XOKDJJLUVGFNIQ-NRUITVPNSA-N -1 0 418.496 3.265 50 10 HGCARM COc1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000015013019 558701019 /nfs/dbraw/zinc/70/10/19/558701019.db2.gz IMKXIFUDFAVCJT-UYRXBGFRSA-N -1 0 405.385 3.291 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OC ZINC000015823311 558754657 /nfs/dbraw/zinc/75/46/57/558754657.db2.gz GQNZWDQABCHGNO-XFFZJAGNSA-N -1 0 404.781 3.163 50 10 HGCARM CCCOc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC ZINC000016672039 558798694 /nfs/dbraw/zinc/79/86/94/558798694.db2.gz CQYJEUICUPQCAC-AQTBWJFISA-N -1 0 424.453 3.122 50 10 HGCARM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1C(=O)OC ZINC000100423681 559199517 /nfs/dbraw/zinc/19/95/17/559199517.db2.gz LASJJVUJGXPARK-ZHZULCJRSA-N -1 0 407.426 3.125 50 10 HGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000103807742 560844424 /nfs/dbraw/zinc/84/44/24/560844424.db2.gz KNWSYLFSWRBILW-XYOKQWHBSA-N -1 0 421.196 3.480 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1O ZINC000015837741 560857757 /nfs/dbraw/zinc/85/77/57/560857757.db2.gz YLDAHCGVPWIFRG-LFYBBSHMSA-N -1 0 417.761 3.469 50 10 HGCARM COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(F)cc4)C3=O)o2)c1 ZINC000000666643 568460600 /nfs/dbraw/zinc/46/06/00/568460600.db2.gz VMUABXCZPFHGKI-PDGQHHTCSA-N -1 0 406.369 3.334 50 10 HGCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccc(OC)cc4)coc32)CC1 ZINC000020393925 568603981 /nfs/dbraw/zinc/60/39/81/568603981.db2.gz QVVWKZPECLBDAN-UHFFFAOYSA-N -1 0 410.470 3.437 50 10 HGCARM CCOc1ccc(S(=O)(=O)Nc2ccc([N-]S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000170610502 569245324 /nfs/dbraw/zinc/24/53/24/569245324.db2.gz DEIWLJCLCIVCML-UHFFFAOYSA-N -1 0 424.422 3.148 50 10 HGCARM COc1cc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc(OC)c1OC ZINC000002222972 569313340 /nfs/dbraw/zinc/31/33/40/569313340.db2.gz DGPMJDOZYMZMNL-MQJVFOOVSA-N -1 0 411.501 3.023 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000027532442 569367700 /nfs/dbraw/zinc/36/77/00/569367700.db2.gz XSCNRUWHXXBMNI-UHFFFAOYSA-N -1 0 400.774 3.158 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000002958832 132260507 /nfs/dbraw/zinc/26/05/07/132260507.db2.gz YBDBHZRGLFIUFV-KPKJPENVSA-N -1 0 421.634 3.475 50 10 HGCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000004811343 132289360 /nfs/dbraw/zinc/28/93/60/132289360.db2.gz TUOFQTAYNICVAT-MHWRWJLKSA-N -1 0 414.874 3.042 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000009046159 132335273 /nfs/dbraw/zinc/33/52/73/132335273.db2.gz WBFUWUXVIMDQIV-NTEUORMPSA-N -1 0 404.195 3.167 50 10 HGCARM CCN(CC)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000006511118 535475976 /nfs/dbraw/zinc/47/59/76/535475976.db2.gz DLCAAKFLITWBCM-RGEXLXHISA-N -1 0 420.469 3.056 50 10 HGCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1O ZINC000001200669 535658488 /nfs/dbraw/zinc/65/84/88/535658488.db2.gz UWADFGNQHMIBFB-ZSOIEALJSA-N -1 0 400.818 3.419 50 10 HGCARM COC(=O)c1cc(N=C(C)c2c(C)[n-]n(-c3ccccc3)c2=O)cc(C(=O)OC)c1 ZINC000009306471 557835891 /nfs/dbraw/zinc/83/58/91/557835891.db2.gz KTHOIDYDGZOQNW-CPNJWEJPSA-N -1 0 407.426 3.368 50 10 HGCARM COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1 ZINC000022228532 558467972 /nfs/dbraw/zinc/46/79/72/558467972.db2.gz ISMFLEZCVOEHIO-XNTDXEJSSA-N -1 0 417.284 3.289 50 10 HGCARM COc1cc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)ccc1O ZINC000013122348 558517588 /nfs/dbraw/zinc/51/75/88/558517588.db2.gz RYBBZFHEKOTILB-DDITZMBXSA-N -1 0 401.465 3.428 50 10 HGCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S ZINC000026771419 558665025 /nfs/dbraw/zinc/66/50/25/558665025.db2.gz URSGPXOBQKRWAO-YLQKULKDSA-N -1 0 414.464 3.492 50 10 HGCARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000015768922 558752068 /nfs/dbraw/zinc/75/20/68/558752068.db2.gz APVXFOGBPIKJNN-OVCLIPMQSA-N -1 0 421.238 3.187 50 10 HGCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccccn1 ZINC000004739902 559043212 /nfs/dbraw/zinc/04/32/12/559043212.db2.gz AEKQKRLSYSONLQ-QGOAFFKASA-N -1 0 400.438 3.464 50 10 HGCARM COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cccnc1 ZINC000100423409 559135103 /nfs/dbraw/zinc/13/51/03/559135103.db2.gz NTENVWPETHUKKX-PDGQHHTCSA-N -1 0 407.455 3.343 50 10 HGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000005024857 559229963 /nfs/dbraw/zinc/22/99/63/559229963.db2.gz MYEPPBJIQSGJQI-CAPFRKAQSA-N -1 0 406.486 3.150 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000004704234 560555681 /nfs/dbraw/zinc/55/56/81/560555681.db2.gz OEQTWVMRQCTMBL-LDADJPATSA-N -1 0 419.437 3.072 50 10 biogenic,in-vitro HGCARM COc1cccc(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)[O-])C2=O)c1OC ZINC000005498851 560598256 /nfs/dbraw/zinc/59/82/56/560598256.db2.gz UIPQQYKDHTVJKV-KWJWQAOWSA-N -1 0 413.542 3.111 50 10 HGCARM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000001152974 560727331 /nfs/dbraw/zinc/72/73/31/560727331.db2.gz FCQXEUBCANTOFD-GXDHUFHOSA-N -1 0 407.264 3.252 50 10 HGCARM CCC(=O)Nc1ccccc1NC=C1C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O ZINC000101074818 560770799 /nfs/dbraw/zinc/77/07/99/560770799.db2.gz OEAXJONGKNFQJT-JQIJEIRASA-N -1 0 410.474 3.300 50 10 HGCARM COc1cc2c(cc1C=C1C(=O)[N-]C(=S)N(c3cccc(F)c3)C1=O)OCO2 ZINC000096476708 568754564 /nfs/dbraw/zinc/75/45/64/568754564.db2.gz KEQVZQBFPWAHPN-ACAGNQJTSA-N -1 0 400.387 3.235 50 10 HGCARM O=C([O-])CN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S ZINC000002994313 568836503 /nfs/dbraw/zinc/83/65/03/568836503.db2.gz NURZIGHPVNVOPX-LAFDYMOFSA-N -1 0 416.263 3.386 50 10 HGCARM O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000001859052 569056703 /nfs/dbraw/zinc/05/67/03/569056703.db2.gz PPVOSCKLXUULHC-JYRVWZFOSA-N -1 0 404.494 3.286 50 10 HGCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)ccc1O ZINC000016671241 569070131 /nfs/dbraw/zinc/07/01/31/569070131.db2.gz ILHSUMFQRJAXRQ-ZROIWOOFSA-N -1 0 403.232 3.015 50 10 HGCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027501346 569326121 /nfs/dbraw/zinc/32/61/21/569326121.db2.gz GVXOEHBKUQSUFO-KMKOMSMNSA-N -1 0 422.180 3.092 50 10 HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccnc1 ZINC000000786446 132232617 /nfs/dbraw/zinc/23/26/17/132232617.db2.gz CYOJNHOACHFSIJ-GRSHGNNSSA-N -1 0 404.401 3.295 50 10 HGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)c1 ZINC000001125484 132238151 /nfs/dbraw/zinc/23/81/51/132238151.db2.gz RDLAJOJEKWYNFQ-KGENOOAVSA-N -1 0 419.481 3.115 50 10 HGCARM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000001153763 132239321 /nfs/dbraw/zinc/23/93/21/132239321.db2.gz IMKXIFUDFAVCJT-CPNJWEJPSA-N -1 0 405.385 3.291 50 10 HGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)c1C ZINC000001175373 132240404 /nfs/dbraw/zinc/24/04/04/132240404.db2.gz AICNSSVLZXODAE-MDWZMJQESA-N -1 0 415.243 3.438 50 10 HGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000001175981 132240436 /nfs/dbraw/zinc/24/04/36/132240436.db2.gz MGVZOIVVTYNZMH-WUXMJOGZSA-N -1 0 421.634 3.475 50 10 HGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1 ZINC000001203278 132242144 /nfs/dbraw/zinc/24/21/44/132242144.db2.gz KBVLTKIEHZLPNA-UKTHLTGXSA-N -1 0 405.204 3.107 50 10 HGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 ZINC000001207752 132242496 /nfs/dbraw/zinc/24/24/96/132242496.db2.gz JFUMORIYHDLHJB-MDWZMJQESA-N -1 0 401.216 3.130 50 10 HGCARM COCCn1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1C ZINC000001823995 132247973 /nfs/dbraw/zinc/24/79/73/132247973.db2.gz FGIXDPDMWOAIOZ-BOPFTXTBSA-N -1 0 401.463 3.133 50 10 HGCARM COc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)sc2c1 ZINC000006090321 132309182 /nfs/dbraw/zinc/30/91/82/132309182.db2.gz BJQRMTBZJPUWQN-UVTDQMKNSA-N -1 0 408.439 3.192 50 10 HGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 ZINC000009322181 536184059 /nfs/dbraw/zinc/18/40/59/536184059.db2.gz SRLTWYJMBOIUCW-ZROIWOOFSA-N -1 0 415.243 3.384 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000002916782 536597880 /nfs/dbraw/zinc/59/78/80/536597880.db2.gz HONIEAUPQBONEK-OVCLIPMQSA-N -1 0 402.859 3.189 50 10 HGCARM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000009259179 536633602 /nfs/dbraw/zinc/63/36/02/536633602.db2.gz NWWBMGJDMVQRAP-NTEUORMPSA-N -1 0 419.206 3.263 50 10 HGCARM COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 ZINC000009350089 536655098 /nfs/dbraw/zinc/65/50/98/536655098.db2.gz DIIYAFMXIUMNFT-WJDWOHSUSA-N -1 0 411.483 3.064 50 10 HGCARM COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O ZINC000002930394 536982156 /nfs/dbraw/zinc/98/21/56/536982156.db2.gz HLRFRYYKQBOUQB-GXDHUFHOSA-N -1 0 417.284 3.289 50 10 HGCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)cc1[N+](=O)[O-] ZINC000002998381 557439136 /nfs/dbraw/zinc/43/91/36/557439136.db2.gz XAHPPNVMLFWXOH-VGOFMYFVSA-N -1 0 404.425 3.449 50 10 HGCARM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(OC)cc1OC ZINC000004999660 557623649 /nfs/dbraw/zinc/62/36/49/557623649.db2.gz HWYVWJSDRPQWRV-STZFKDTASA-N -1 0 409.442 3.356 50 10 HGCARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCCCC3)cc1 ZINC000002742029 557752769 /nfs/dbraw/zinc/75/27/69/557752769.db2.gz JFWAMSRMMCNXIB-UHFFFAOYSA-N -1 0 421.544 3.265 50 10 HGCARM CC(C)(C)C1(C)OC(=O)C(=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)O1 ZINC000004442381 558591829 /nfs/dbraw/zinc/59/18/29/558591829.db2.gz WOZRTVJSOONJIB-UHFFFAOYSA-N -1 0 414.208 3.309 50 10 HGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000013774583 558592246 /nfs/dbraw/zinc/59/22/46/558592246.db2.gz PNQWWKGQVMHTBH-HMMYKYKNSA-N -1 0 409.461 3.376 50 10 HGCARM O=C([O-])c1cc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)ccc1O ZINC000027530379 558674053 /nfs/dbraw/zinc/67/40/53/558674053.db2.gz VGRLLQCDIPPIMD-GIDUJCDVSA-N -1 0 401.421 3.225 50 10 HGCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c(OCC)c1 ZINC000015722792 558749914 /nfs/dbraw/zinc/74/99/14/558749914.db2.gz IOKJGRRHGGFUMU-PDGQHHTCSA-N -1 0 410.426 3.159 50 10 HGCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc2c(c1)n(C)c(=O)n2C ZINC000016160964 558774581 /nfs/dbraw/zinc/77/45/81/558774581.db2.gz UBAJCNBIYMSQKD-ZSOIEALJSA-N -1 0 424.844 3.035 50 10 HGCARM CN1CCN(Cc2c([O-])ccc3c2oc(N)c(-c2nc4ccccc4s2)c3=O)CC1 ZINC000019681964 558777025 /nfs/dbraw/zinc/77/70/25/558777025.db2.gz TYDMLNCOIUYTPA-UHFFFAOYSA-N -1 0 422.510 3.105 50 10 biogenic HGCARM Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)o1 ZINC000016283239 558783440 /nfs/dbraw/zinc/78/34/40/558783440.db2.gz CNOQNNWXFUHCRX-AUWJEWJLSA-N -1 0 404.425 3.449 50 10 HGCARM COc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000036008616 558796702 /nfs/dbraw/zinc/79/67/02/558796702.db2.gz XREUQVBPRDTMRU-AUWJEWJLSA-N -1 0 403.441 3.105 50 10 HGCARM COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccn1 ZINC000100423575 559135116 /nfs/dbraw/zinc/13/51/16/559135116.db2.gz UEODPWCEAIJVAC-PDGQHHTCSA-N -1 0 407.455 3.343 50 10 HGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3Br)C2=O)cc1 ZINC000017208346 560704027 /nfs/dbraw/zinc/70/40/27/560704027.db2.gz AVAFGFLTBBARQN-RAXLEYEMSA-N -1 0 416.231 3.037 50 10 HGCARM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(F)cc4)C3=O)o2)cc1 ZINC000005675204 560775583 /nfs/dbraw/zinc/77/55/83/560775583.db2.gz FDZMBBHZNBOTLX-LDADJPATSA-N -1 0 406.369 3.334 50 10 HGCARM CCOc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)sc2c1 ZINC000018209983 560784402 /nfs/dbraw/zinc/78/44/02/560784402.db2.gz VXYHMURZWRTPPX-KAMYIIQDSA-N -1 0 408.439 3.274 50 10 HGCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000217683928 568473570 /nfs/dbraw/zinc/47/35/70/568473570.db2.gz FKCUFGDZFCIEGA-ZMPRRUGASA-N -1 0 406.438 3.446 50 10 HGCARM Cn1c(=O)n(C)c2cc(-c3c4c[nH]nc4nc4c5ccc(O)c([O-])c5oc43)ccc21 ZINC000218165010 568475858 /nfs/dbraw/zinc/47/58/58/568475858.db2.gz KJZAFJGFJKLGHW-UHFFFAOYSA-N -1 0 401.382 3.126 50 10 HGCARM O=c1cc(-c2cc3ccccc3oc2=O)c2ccc([O-])c(CN3CCOCC3)c2o1 ZINC000020412392 568605409 /nfs/dbraw/zinc/60/54/09/568605409.db2.gz UZHHMQJLLLXPIO-UHFFFAOYSA-N -1 0 405.406 3.104 50 10 biogenic HGCARM Cc1cc(NS(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccccc2)c1[O-] ZINC000002503798 568777543 /nfs/dbraw/zinc/77/75/43/568777543.db2.gz ADKNYRBKQZAQFK-UHFFFAOYSA-N -1 0 403.481 3.334 50 10 HGCARM COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OCc1ccc(Cl)cc1Cl ZINC000001175102 568821287 /nfs/dbraw/zinc/82/12/87/568821287.db2.gz MUYIFADLGZQVKD-UHFFFAOYSA-N -1 0 421.236 3.330 50 10 HGCARM CC(C)C(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004171956 568948253 /nfs/dbraw/zinc/94/82/53/568948253.db2.gz MTYJHTAENJWPFH-SFHVURJKSA-N -1 0 409.398 3.439 50 10 HGCARM COc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000015800021 569009934 /nfs/dbraw/zinc/00/99/34/569009934.db2.gz WRQBEFIJZLEUBS-NDENLUEZSA-N -1 0 419.437 3.358 50 10 HGCARM Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)S2)CC1 ZINC000036213146 569112522 /nfs/dbraw/zinc/11/25/22/569112522.db2.gz DMBLRKFNZQOQOF-CPNJWEJPSA-N -1 0 424.482 3.401 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000017027840 569272055 /nfs/dbraw/zinc/27/20/55/569272055.db2.gz YAIOSTLVRVQZIY-WQLSENKSSA-N -1 0 400.362 3.358 50 10 HGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNN1CCCC[C@@H]1c1cccnc1 ZINC000008970967 571197284 /nfs/dbraw/zinc/19/72/84/571197284.db2.gz ZYKGYMJLWTVNBJ-LCJXNMAOSA-N -1 0 409.421 3.260 50 10 HGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S ZINC000008990830 571206714 /nfs/dbraw/zinc/20/67/14/571206714.db2.gz PKAOWGZIAVZOMF-NCPSJORJSA-N -1 0 407.538 3.413 50 10 HGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S ZINC000008990831 571206730 /nfs/dbraw/zinc/20/67/30/571206730.db2.gz PKAOWGZIAVZOMF-GULXKOIASA-N -1 0 407.538 3.413 50 10 HGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C2=O)c1 ZINC000008994927 571208436 /nfs/dbraw/zinc/20/84/36/571208436.db2.gz REFQSLAAQCHPOU-ZSFFSCSXSA-N -1 0 421.457 3.129 50 10 HGCARM O=C([O-])CCCNc1cc(N2CCC(=O)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002457300 132254825 /nfs/dbraw/zinc/25/48/25/132254825.db2.gz CSHBASXXUJVHIS-UHFFFAOYSA-N -1 0 419.437 3.485 50 10 HGCARM COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O ZINC000008743257 132333006 /nfs/dbraw/zinc/33/30/06/132333006.db2.gz YWQKZJSINSQMLH-LCYFTJDESA-N -1 0 412.398 3.228 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(O)c(O)c1 ZINC000034235801 132792532 /nfs/dbraw/zinc/79/25/32/132792532.db2.gz CCCMYHPRPLNOQD-GHXNOFRVSA-N -1 0 403.188 3.367 50 10 HGCARM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)o1 ZINC000020239027 526066063 /nfs/dbraw/zinc/06/60/63/526066063.db2.gz RBKCMXDWJJVXHQ-AUWJEWJLSA-N -1 0 404.425 3.449 50 10 HGCARM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000001228837 536982290 /nfs/dbraw/zinc/98/22/90/536982290.db2.gz MVOWYCJJMZCYSG-GXDHUFHOSA-N -1 0 401.216 3.124 50 10 HGCARM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000000978873 557129470 /nfs/dbraw/zinc/12/94/70/557129470.db2.gz CCWOEKKEQDLVMY-NTEUORMPSA-N -1 0 402.859 3.276 50 10 HGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1 ZINC000004704221 557584468 /nfs/dbraw/zinc/58/44/68/557584468.db2.gz ZXFJEOCNWLOULF-ZSOIEALJSA-N -1 0 400.818 3.283 50 10 HGCARM COc1ccc(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)[O-])C2=O)c(OC)c1 ZINC000013583154 558545522 /nfs/dbraw/zinc/54/55/22/558545522.db2.gz UVUMEQJXUQOXTP-QENILXLESA-N -1 0 413.542 3.111 50 10 HGCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000013880138 558599407 /nfs/dbraw/zinc/59/94/07/558599407.db2.gz BBHRBEAKPQDWNN-MKMNVTDBSA-N -1 0 414.215 3.185 50 10 HGCARM COCCn1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3cccc(OC)c3)C2=O)c1C ZINC000033349587 559066846 /nfs/dbraw/zinc/06/68/46/559066846.db2.gz TWRYINQUXOWGCD-WQRHYEAKSA-N -1 0 413.499 3.432 50 10 HGCARM O=C1OCc2cc(-c3ccc(/C=C4/C(=O)[N-]N(c5ccc(F)cc5)C4=O)o3)ccc21 ZINC000004871461 559194417 /nfs/dbraw/zinc/19/44/17/559194417.db2.gz KFWRAQFSFXZXJK-ZDLGFXPLSA-N -1 0 404.353 3.218 50 10 HGCARM COc1ccc(Br)cc1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000001902186 560583690 /nfs/dbraw/zinc/58/36/90/560583690.db2.gz XTMVRPACBQNIRI-XFFZJAGNSA-N -1 0 402.291 3.134 50 10 HGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000001086707 560727131 /nfs/dbraw/zinc/72/71/31/560727131.db2.gz RIPBZCGDJJYISY-UHFFFAOYSA-N -1 0 400.818 3.067 50 10 HGCARM CC1(C)OC(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)C(=O)O1 ZINC000005727787 560854682 /nfs/dbraw/zinc/85/46/82/560854682.db2.gz UQLQCHVTPSOEGB-UHFFFAOYSA-N -1 0 406.026 3.137 50 10 HGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=CN3c4ccc(F)cc4CC[C@@H]3C)C2=O)c1 ZINC000096237518 568708752 /nfs/dbraw/zinc/70/87/52/568708752.db2.gz VDMOFCFXNZTUFD-CYUIRQCWSA-N -1 0 409.417 3.142 50 10 HGCARM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000001055752 568764219 /nfs/dbraw/zinc/76/42/19/568764219.db2.gz YEFHOSARJKQBJJ-RIYZIHGNSA-N -1 0 416.231 3.436 50 10 HGCARM Cc1c2c(cc(=O)n1Cc1ccccc1Cl)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000670416300 568768843 /nfs/dbraw/zinc/76/88/43/568768843.db2.gz QQZTXTBSLPRXFJ-UHFFFAOYSA-O -1 0 423.905 3.165 50 10 HGCARM CC(C)C(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004171957 568948280 /nfs/dbraw/zinc/94/82/80/568948280.db2.gz MTYJHTAENJWPFH-GOSISDBHSA-N -1 0 409.398 3.439 50 10 HGCARM CCCCCN1c2ccccc2/C(=C2\SC(=S)N(CCC(=O)[O-])C2=O)C1=O ZINC000001779510 569052627 /nfs/dbraw/zinc/05/26/27/569052627.db2.gz UBQXPUQYZKENBE-FOCLMDBBSA-N -1 0 404.513 3.270 50 10 HGCARM COc1ccc2cc(C=C3SC(=S)N(CCCC(=O)[O-])C3=O)c(=O)[nH]c2c1 ZINC000006660414 569083102 /nfs/dbraw/zinc/08/31/02/569083102.db2.gz PDVMVRMQRJBQNE-ZSOIEALJSA-N -1 0 404.469 3.015 50 10 HGCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000008643180 571097750 /nfs/dbraw/zinc/09/77/50/571097750.db2.gz YEBBEQHCCXJNGV-DFSFMLJYSA-N -1 0 409.492 3.460 50 10 HGCARM O=C1[N-]C(=O)C(=Cc2cc(Cl)c(OCCOc3ccccc3)c(Cl)c2)C(=O)N1 ZINC000008874752 571130544 /nfs/dbraw/zinc/13/05/44/571130544.db2.gz QEJHOTHVCMZHQT-UHFFFAOYSA-N -1 0 421.236 3.201 50 10 HGCARM CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cc1 ZINC000009089601 571220189 /nfs/dbraw/zinc/22/01/89/571220189.db2.gz AVNIAWMLFZIHNE-JXAWBTAJSA-N -1 0 411.458 3.128 50 10 HGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000001203629 132242174 /nfs/dbraw/zinc/24/21/74/132242174.db2.gz KJPJKKOYAVAXNS-MDWZMJQESA-N -1 0 405.273 3.490 50 10 HGCARM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)ccc1Br ZINC000001211801 132242535 /nfs/dbraw/zinc/24/25/35/132242535.db2.gz HKBFYKVZWOMMIC-NTEUORMPSA-N -1 0 401.216 3.130 50 10 HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000006174125 132309382 /nfs/dbraw/zinc/30/93/82/132309382.db2.gz FGOZTRCJPDXUPC-SCWSXOCZSA-N -1 0 423.538 3.424 50 10 HGCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(C(C)=O)c3ccccc23)C1=O ZINC000009166037 132336867 /nfs/dbraw/zinc/33/68/67/132336867.db2.gz UTJDHKCFAPTDPZ-SFQUDFHCSA-N -1 0 417.421 3.367 50 10 HGCARM COc1ccc(OC)c(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000009244959 132337517 /nfs/dbraw/zinc/33/75/17/132337517.db2.gz AYGYOSQLBBVWAI-WJDWOHSUSA-N -1 0 411.483 3.064 50 10 HGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000012363800 132358999 /nfs/dbraw/zinc/35/89/99/132358999.db2.gz KJPJKKOYAVAXNS-JYRVWZFOSA-N -1 0 405.273 3.490 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=CNC1CCCCCC1 ZINC000020477985 527056289 /nfs/dbraw/zinc/05/62/89/527056289.db2.gz CZVGGCRCHQBNJL-RVDMUPIBSA-N -1 0 422.348 3.393 50 10 HGCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1O ZINC000002236034 535658633 /nfs/dbraw/zinc/65/86/33/535658633.db2.gz WNLMFQLXFKEGMZ-JYRVWZFOSA-N -1 0 416.817 3.119 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br ZINC000000766490 536598559 /nfs/dbraw/zinc/59/85/59/536598559.db2.gz GSPAWCCIFHMJIV-UKTHLTGXSA-N -1 0 417.284 3.289 50 10 HGCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1O ZINC000001202988 557240170 /nfs/dbraw/zinc/24/01/70/557240170.db2.gz KJCSBHOKDDZHHZ-MDWZMJQESA-N -1 0 403.232 3.015 50 10 HGCARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@@H]2c2ccccc2O)cc1 ZINC000003641476 557495977 /nfs/dbraw/zinc/49/59/77/557495977.db2.gz NGDXXAMCXAVZJP-FQEVSTJZSA-N -1 0 409.467 3.161 50 10 HGCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000004602647 557571344 /nfs/dbraw/zinc/57/13/44/557571344.db2.gz CGUVLIBZRGMPPN-UHFFFAOYSA-N -1 0 408.410 3.271 50 10 HGCARM O=C([O-])c1cc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)ccc1O ZINC000004357105 558445159 /nfs/dbraw/zinc/44/51/59/558445159.db2.gz VGRLLQCDIPPIMD-UUASQNMZSA-N -1 0 401.421 3.225 50 10 HGCARM COc1cc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)ccc1O ZINC000013130469 558519854 /nfs/dbraw/zinc/51/98/54/558519854.db2.gz SXGGEIQEHFCTTO-FMNVXAMXSA-N -1 0 415.492 3.298 50 10 HGCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)cc1O ZINC000013689627 558571838 /nfs/dbraw/zinc/57/18/38/558571838.db2.gz PKCWSLFGSNDVKN-LZYBPNLTSA-N -1 0 409.448 3.439 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000013785503 558593154 /nfs/dbraw/zinc/59/31/54/558593154.db2.gz RQZSXOKOFWKLHI-YBEGLDIGSA-N -1 0 420.352 3.481 50 10 HGCARM CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)cc1 ZINC000017112544 558822760 /nfs/dbraw/zinc/82/27/60/558822760.db2.gz QMERMNMKVZXPKA-GHRIWEEISA-N -1 0 411.483 3.350 50 10 HGCARM CCOc1cc(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)[O-])C2=O)ccc1O ZINC000013661164 558851642 /nfs/dbraw/zinc/85/16/42/558851642.db2.gz WBPHXDQRAIJKJY-HOXUKUGESA-N -1 0 413.542 3.198 50 10 HGCARM CC[C@H](C)c1ccccc1OCCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000004672858 558884755 /nfs/dbraw/zinc/88/47/55/558884755.db2.gz MWNSEWHKZOAHSE-HNNXBMFYSA-N -1 0 408.454 3.407 50 10 HGCARM C[C@@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000098086682 559064978 /nfs/dbraw/zinc/06/49/78/559064978.db2.gz FZLWCGQKBROQCQ-QJMZJAKPSA-N -1 0 413.449 3.438 50 10 HGCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000100780397 559265746 /nfs/dbraw/zinc/26/57/46/559265746.db2.gz ZYAUHGFHHQGZAM-WOJGMQOQSA-N -1 0 406.442 3.149 50 10 HGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000018127398 560779392 /nfs/dbraw/zinc/77/93/92/560779392.db2.gz GDOHACBHOQSRMJ-XMHGGMMESA-N -1 0 424.526 3.285 50 10 HGCARM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)ccc1Br ZINC000001000466 568761475 /nfs/dbraw/zinc/76/14/75/568761475.db2.gz BAWKKPGWYKDRNU-NTEUORMPSA-N -1 0 401.216 3.130 50 10 HGCARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S ZINC000002930410 568818289 /nfs/dbraw/zinc/81/82/89/568818289.db2.gz ZQTLVFSWKFEPPK-DHDCSXOGSA-N -1 0 416.455 3.364 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1O ZINC000001301902 568913378 /nfs/dbraw/zinc/91/33/78/568913378.db2.gz BARONBAHSSWWNB-AUWJEWJLSA-N -1 0 400.362 3.051 50 10 HGCARM CCOc1cc(/C=C2/SC(=S)N([C@@H](CCSC)C(=O)[O-])C2=O)ccc1O ZINC000001786476 569052967 /nfs/dbraw/zinc/05/29/67/569052967.db2.gz WBPHXDQRAIJKJY-LUHPIMIVSA-N -1 0 413.542 3.198 50 10 HGCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000006974468 569193027 /nfs/dbraw/zinc/19/30/27/569193027.db2.gz KIRYNGXCMRHHRL-QCDXTXTGSA-N -1 0 421.634 3.293 50 10 HGCARM COc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 ZINC000013343755 569410770 /nfs/dbraw/zinc/41/07/70/569410770.db2.gz QWLSTYUYOSTAGV-AUWJEWJLSA-N -1 0 420.424 3.149 50 10 HGCARM COc1ccc([N+](=O)[O-])cc1C=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O ZINC000001158086 132239572 /nfs/dbraw/zinc/23/95/72/132239572.db2.gz MBVGRMNZPDJDDB-NTEUORMPSA-N -1 0 401.375 3.414 50 10 HGCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)c1 ZINC000002290012 132251535 /nfs/dbraw/zinc/25/15/35/132251535.db2.gz XYHFPHPBHDRPSH-DHZHZOJOSA-N -1 0 403.372 3.180 50 10 HGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000002303198 132251944 /nfs/dbraw/zinc/25/19/44/132251944.db2.gz OQGHQSWLNHECEU-RGEXLXHISA-N -1 0 408.458 3.120 50 10 HGCARM CCOc1cccc(N2C(=O)/C(=C\c3ccc(O)c(OCC)c3)C(=O)[N-]C2=S)c1 ZINC000004742188 132286747 /nfs/dbraw/zinc/28/67/47/132286747.db2.gz PUSXFHHDMRASKV-YBEGLDIGSA-N -1 0 412.467 3.021 50 10 HGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNNc3cc(Cl)ccc3Cl)C2=O)c1 ZINC000005548073 132306815 /nfs/dbraw/zinc/30/68/15/132306815.db2.gz PKLWKJOVZSNQRB-LCYFTJDESA-N -1 0 405.241 3.385 50 10 HGCARM Cc1ccc(N2C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C(=O)[N-]C2=S)cc1 ZINC000006897976 132319943 /nfs/dbraw/zinc/31/99/43/132319943.db2.gz LYPRZQFFNFKLBW-GDLUXTLDSA-N -1 0 421.526 3.165 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OC ZINC000009300336 132338193 /nfs/dbraw/zinc/33/81/93/132338193.db2.gz OAQNZKFRAMZOLV-DHDCSXOGSA-N -1 0 412.467 3.263 50 10 HGCARM CCCC[C@@H](CC)COCCCNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000006656835 535349635 /nfs/dbraw/zinc/34/96/35/535349635.db2.gz HMOONHOADOQKQX-JFPYRBRCSA-N -1 0 401.507 3.366 50 10 HGCARM COc1cc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)ccc1OCC(=O)[O-] ZINC000001796100 557288557 /nfs/dbraw/zinc/28/85/57/557288557.db2.gz QRNCNXQGZKRVEI-PXNMLYILSA-N -1 0 417.464 3.270 50 10 HGCARM CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc21 ZINC000001799867 557288936 /nfs/dbraw/zinc/28/89/36/557288936.db2.gz GEONMZRMZSKFCM-NXVVXOECSA-N -1 0 424.459 3.054 50 10 HGCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 ZINC000001805113 557289572 /nfs/dbraw/zinc/28/95/72/557289572.db2.gz WGEZPZHLFSAVQD-VGOFMYFVSA-N -1 0 404.425 3.449 50 10 HGCARM O=C([O-])c1cc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)ccc1O ZINC000013684195 558568299 /nfs/dbraw/zinc/56/82/99/558568299.db2.gz MZXBQXJACWVMFM-FRKPEAEDSA-N -1 0 409.448 3.439 50 10 HGCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)cc1O ZINC000013726378 558584637 /nfs/dbraw/zinc/58/46/37/558584637.db2.gz DFCAQRXDXZRWLX-NVNXTCNLSA-N -1 0 409.448 3.439 50 10 HGCARM O=C([O-])c1cc(N2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)ccc1O ZINC000013726930 558584766 /nfs/dbraw/zinc/58/47/66/558584766.db2.gz SDTRHHXFBZADGL-LZYBPNLTSA-N -1 0 409.448 3.439 50 10 HGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S ZINC000013735553 558588341 /nfs/dbraw/zinc/58/83/41/558588341.db2.gz PBQSMIPLBZGJDO-KFXIKWRMSA-N -1 0 422.597 3.477 50 10 HGCARM Cc1c(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc2n1CCOc1c(C)cccc1C ZINC000004549050 558672756 /nfs/dbraw/zinc/67/27/56/558672756.db2.gz IBNDCHJFAPXURZ-UHFFFAOYSA-N -1 0 417.465 3.395 50 10 HGCARM COc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)ccc1O ZINC000027530313 558674099 /nfs/dbraw/zinc/67/40/99/558674099.db2.gz RMGSVUSWSIMZLH-VIZOYTHASA-N -1 0 403.437 3.210 50 10 HGCARM COc1cc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)ccc1O ZINC000027530373 558674125 /nfs/dbraw/zinc/67/41/25/558674125.db2.gz LGFSGPBOQHOTKH-VIZOYTHASA-N -1 0 403.437 3.210 50 10 HGCARM COc1cc(NS(=O)(=O)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000016183732 558775748 /nfs/dbraw/zinc/77/57/48/558775748.db2.gz LDXPLZVLJKZLHB-UHFFFAOYSA-N -1 0 418.496 3.297 50 10 HGCARM Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc([O-])c([N+](=O)[O-])c4)S3)CC2)cc1 ZINC000036218314 558798281 /nfs/dbraw/zinc/79/82/81/558798281.db2.gz SDVSNBQLJUVWGF-CPNJWEJPSA-N -1 0 424.482 3.401 50 10 HGCARM COc1ccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(C)=O)ccc4n3)CC2)cc1 ZINC000033260780 558926256 /nfs/dbraw/zinc/92/62/56/558926256.db2.gz KIQIHILWQMEOJW-UHFFFAOYSA-N -1 0 420.469 3.227 50 10 HGCARM C[C@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000098086683 559064998 /nfs/dbraw/zinc/06/49/98/559064998.db2.gz FZLWCGQKBROQCQ-CMHHUMAZSA-N -1 0 413.449 3.438 50 10 HGCARM COCCN(CCOC)Cc1c([O-])cc(OC)c2c(=O)cc(-c3ccccc3)oc12 ZINC000011865270 559263419 /nfs/dbraw/zinc/26/34/19/559263419.db2.gz RQCBRXFUGDLTNG-UHFFFAOYSA-N -1 0 413.470 3.269 50 10 biogenic HGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000001176254 560727609 /nfs/dbraw/zinc/72/76/09/560727609.db2.gz MCMAGHMCJLDLQJ-CPNJWEJPSA-N -1 0 407.470 3.203 50 10 HGCARM COc1cc([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3[O-])=NN2)cc2c1OCCO2 ZINC000012389320 568691278 /nfs/dbraw/zinc/69/12/78/568691278.db2.gz FPYKOEABFFURIH-AWEZNQCLSA-N -1 0 422.437 3.334 50 10 HGCARM CCOC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000210952724 568748796 /nfs/dbraw/zinc/74/87/96/568748796.db2.gz MAQWKQNDWKHZOP-FOWTUZBSSA-N -1 0 419.462 3.176 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]N(c3cc(Cl)cc(Cl)c3)C2=O)cc(OC)c1O ZINC000001166228 568775705 /nfs/dbraw/zinc/77/57/05/568775705.db2.gz WBHYSTWRVBEENH-DXNYSGJVSA-N -1 0 409.225 3.178 50 10 HGCARM COc1cc(OC)c(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1 ZINC000001306309 568913600 /nfs/dbraw/zinc/91/36/00/568913600.db2.gz QLTBEXJMSWHKJH-YBEGLDIGSA-N -1 0 414.389 3.354 50 10 HGCARM Nc1c(S(=O)(=O)[O-])cc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O ZINC000004533388 568934622 /nfs/dbraw/zinc/93/46/22/568934622.db2.gz GMBNNHLANOGOAU-UHFFFAOYSA-N -1 0 400.456 3.036 50 10 HGCARM O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019892927 569361628 /nfs/dbraw/zinc/36/16/28/569361628.db2.gz FFLTULRDHIPGKF-SDQBBNPISA-N -1 0 422.622 3.472 50 10 HGCARM O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000008820265 571121443 /nfs/dbraw/zinc/12/14/43/571121443.db2.gz YJPVFZWMHIDIFR-NTEUORMPSA-N -1 0 419.440 3.123 50 10 HGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(OCC)c1 ZINC000001172724 132240199 /nfs/dbraw/zinc/24/01/99/132240199.db2.gz YJVQKEMSDAKAHB-RVDMUPIBSA-N -1 0 414.458 3.454 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000001213711 132242790 /nfs/dbraw/zinc/24/27/90/132242790.db2.gz PHZSOOWMYUHYKC-MDWZMJQESA-N -1 0 421.634 3.475 50 10 HGCARM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000005954362 132308781 /nfs/dbraw/zinc/30/87/81/132308781.db2.gz NEXKZNGXKHYYDJ-RIYZIHGNSA-N -1 0 416.886 3.448 50 10 HGCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c1 ZINC000008995413 132334646 /nfs/dbraw/zinc/33/46/46/132334646.db2.gz MTCKWCIOJAOOLD-YBEGLDIGSA-N -1 0 405.410 3.066 50 10 HGCARM CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000044075886 522137973 /nfs/dbraw/zinc/13/79/73/522137973.db2.gz IIHLDMYXACDQGQ-MKSIGINJSA-N -1 0 402.476 3.406 50 10 HGCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(I)c1 ZINC000000725483 557073043 /nfs/dbraw/zinc/07/30/43/557073043.db2.gz UAPDJRFIZUXZLU-RIYZIHGNSA-N -1 0 424.625 3.406 50 10 HGCARM COc1cc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)ccc1O ZINC000001220887 557248505 /nfs/dbraw/zinc/24/85/05/557248505.db2.gz SXGGEIQEHFCTTO-SWEABUAFSA-N -1 0 415.492 3.298 50 10 HGCARM O=C([O-])CN1C(=O)/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S ZINC000002994312 557438214 /nfs/dbraw/zinc/43/82/14/557438214.db2.gz NURZIGHPVNVOPX-BCTAIJSYSA-N -1 0 416.263 3.386 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000003011779 557440942 /nfs/dbraw/zinc/44/09/42/557440942.db2.gz NSUYNWCWXSBAPA-UHFFFAOYSA-N -1 0 421.236 3.330 50 10 HGCARM CCOc1c(O)ccc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)c1[N+](=O)[O-] ZINC000004951234 557616334 /nfs/dbraw/zinc/61/63/34/557616334.db2.gz LHLONWXFDBTBPS-XNTDXEJSSA-N -1 0 411.370 3.203 50 10 HGCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S ZINC000026771420 558665085 /nfs/dbraw/zinc/66/50/85/558665085.db2.gz URSGPXOBQKRWAO-KFXIKWRMSA-N -1 0 414.464 3.492 50 10 HGCARM COCCCNC(=O)c1c([N-]S(=O)(=O)c2cccs2)sc2c1CCCC2 ZINC000028249676 558693525 /nfs/dbraw/zinc/69/35/25/558693525.db2.gz USAJZMTZKBAKDJ-UHFFFAOYSA-N -1 0 414.574 3.256 50 10 HGCARM CNC(=O)c1c2c(sc1[N-]S(=O)(=O)c1cccc3cccnc31)CCCC2 ZINC000028249699 558693768 /nfs/dbraw/zinc/69/37/68/558693768.db2.gz RSISXFZIVTUMOE-UHFFFAOYSA-N -1 0 401.513 3.336 50 10 HGCARM O=C([O-])CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S ZINC000016736932 558802828 /nfs/dbraw/zinc/80/28/28/558802828.db2.gz JNPQZUBMYSJYAP-YBEGLDIGSA-N -1 0 422.491 3.220 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O ZINC000000842326 559287944 /nfs/dbraw/zinc/28/79/44/559287944.db2.gz PRCCJXJXZGPFRK-SDQBBNPISA-N -1 0 423.650 3.278 50 10 HGCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1 ZINC000001185070 560727753 /nfs/dbraw/zinc/72/77/53/560727753.db2.gz ALVVQWFMFSXROR-UHFFFAOYSA-N -1 0 401.762 3.417 50 10 HGCARM Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@H](c2ccc4c(c2)OCO4)C1)CCC3 ZINC000012296342 568462487 /nfs/dbraw/zinc/46/24/87/568462487.db2.gz QUVABAIZQJMEOE-HNNXBMFYSA-N -1 0 404.422 3.463 50 10 biogenic HGCARM COc1cc([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3[O-])=NN2)cc2c1OCCO2 ZINC000012389321 568691246 /nfs/dbraw/zinc/69/12/46/568691246.db2.gz FPYKOEABFFURIH-CQSZACIVSA-N -1 0 422.437 3.334 50 10 HGCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000211017008 568755932 /nfs/dbraw/zinc/75/59/32/568755932.db2.gz YJSXSNZFQDNJCJ-NTCAYCPXSA-N -1 0 408.845 3.120 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000022135483 568765030 /nfs/dbraw/zinc/76/50/30/568765030.db2.gz KJCLYBBKYDVCBI-KPKJPENVSA-N -1 0 421.634 3.475 50 10 HGCARM COCCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)c1C ZINC000002832464 568812668 /nfs/dbraw/zinc/81/26/68/568812668.db2.gz PAKMJMBCGXWATI-GZTJUZNOSA-N -1 0 415.877 3.067 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O ZINC000001205714 568823749 /nfs/dbraw/zinc/82/37/49/568823749.db2.gz FLSDTGLUUSCPAQ-SDQBBNPISA-N -1 0 423.650 3.278 50 10 HGCARM CN1c2ccccc2/C(=C2/SC(=S)N(c3ccc(CC(=O)[O-])cc3)C2=O)C1=O ZINC000004291579 568959615 /nfs/dbraw/zinc/95/96/15/568959615.db2.gz RFERIEWTJLRUSX-MSUUIHNZSA-N -1 0 410.476 3.066 50 10 HGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S ZINC000008202458 568982573 /nfs/dbraw/zinc/98/25/73/568982573.db2.gz PAHZPTWFCQKEJA-JGWKKKPCSA-N -1 0 405.526 3.037 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cc(OC)c1OC ZINC000002277540 569327873 /nfs/dbraw/zinc/32/78/73/569327873.db2.gz GRMQLPOFNLLECV-LFIBNONCSA-N -1 0 414.458 3.065 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000000638253 132229519 /nfs/dbraw/zinc/22/95/19/132229519.db2.gz FGOZTRCJPDXUPC-FUNKKEAFSA-N -1 0 423.538 3.424 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000001101126 132237093 /nfs/dbraw/zinc/23/70/93/132237093.db2.gz HUOZREGELQUJHO-LDADJPATSA-N -1 0 407.426 3.153 50 10 HGCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1C ZINC000001181865 132241000 /nfs/dbraw/zinc/24/10/00/132241000.db2.gz FIOXQUDJCUECLH-OQLLNIDSSA-N -1 0 416.275 3.379 50 10 HGCARM CN1CCN(c2cc(NCCCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000002457298 132254770 /nfs/dbraw/zinc/25/47/70/132254770.db2.gz GMTARCGWXVWYOK-UHFFFAOYSA-N -1 0 420.469 3.068 50 10 HGCARM CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000003004785 132261544 /nfs/dbraw/zinc/26/15/44/132261544.db2.gz QFSXKPACOVGYCC-PDGQHHTCSA-N -1 0 423.494 3.224 50 10 HGCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Br)s2)C1=O ZINC000004460556 132277332 /nfs/dbraw/zinc/27/73/32/132277332.db2.gz KHUKKNGGCMZBPN-NTMALXAHSA-N -1 0 407.245 3.186 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O ZINC000004673373 132282080 /nfs/dbraw/zinc/28/20/80/132282080.db2.gz PZQVPAFQTJPUDU-WUXMJOGZSA-N -1 0 406.822 3.025 50 10 HGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OCC)c3)C2=O)cc1 ZINC000005023722 132298478 /nfs/dbraw/zinc/29/84/78/132298478.db2.gz BHHYQEFRFUEMBG-ATVHPVEESA-N -1 0 410.426 3.159 50 10 HGCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccccc1N1CCCCC1 ZINC000005757221 132307854 /nfs/dbraw/zinc/30/78/54/132307854.db2.gz QUKWESXOJWPYRU-OBGWFSINSA-N -1 0 404.470 3.251 50 10 HGCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000006897392 132319951 /nfs/dbraw/zinc/31/99/51/132319951.db2.gz ZYAUHGFHHQGZAM-WQRHYEAKSA-N -1 0 406.442 3.149 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000001195983 536596761 /nfs/dbraw/zinc/59/67/61/536596761.db2.gz ZTIVVMOGSOXJOP-NTEUORMPSA-N -1 0 402.859 3.189 50 10 HGCARM COc1cc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)ccc1O ZINC000013130470 558520159 /nfs/dbraw/zinc/52/01/59/558520159.db2.gz SXGGEIQEHFCTTO-RQNDZEIBSA-N -1 0 415.492 3.298 50 10 HGCARM COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O ZINC000013687725 558570576 /nfs/dbraw/zinc/57/05/76/558570576.db2.gz IQVAMPZLTVLXEF-MDWZMJQESA-N -1 0 422.459 3.160 50 10 HGCARM O=C([O-])CCCN1C(=O)/C(=C\c2cc3c4c(c2O)CCCN4CCC3)SC1=S ZINC000013720471 558581719 /nfs/dbraw/zinc/58/17/19/558581719.db2.gz NUIUSJUPHSXFIG-RVDMUPIBSA-N -1 0 418.540 3.157 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O ZINC000004704574 558912290 /nfs/dbraw/zinc/91/22/90/558912290.db2.gz TXWSWOCGUOEZDN-WUXMJOGZSA-N -1 0 407.209 3.374 50 10 HGCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c(O)c1 ZINC000004817165 559114453 /nfs/dbraw/zinc/11/44/53/559114453.db2.gz PVIQKBHTNPHQMU-WQRHYEAKSA-N -1 0 411.433 3.040 50 10 HGCARM COc1ccc(OC)c(-c2c(C)c3ccc([O-])c(CN4CCOCC4)c3oc2=O)c1 ZINC000020612438 568637497 /nfs/dbraw/zinc/63/74/97/568637497.db2.gz CDDAJNATQBYONW-UHFFFAOYSA-N -1 0 411.454 3.323 50 10 biogenic HGCARM O=C(Nc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1)c1ccco1 ZINC000019079349 568752230 /nfs/dbraw/zinc/75/22/30/568752230.db2.gz GDEVKIARVIQMGL-UHFFFAOYSA-N -1 0 400.441 3.337 50 10 HGCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000096580377 568762444 /nfs/dbraw/zinc/76/24/44/568762444.db2.gz YJSXSNZFQDNJCJ-QINSGFPZSA-N -1 0 408.845 3.120 50 10 HGCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2ccc(F)cc2)c1 ZINC000001178517 568821514 /nfs/dbraw/zinc/82/15/14/568821514.db2.gz QSKPMTNLBCWWKO-UHFFFAOYSA-N -1 0 411.433 3.000 50 10 HGCARM COc1ccc(OC)c(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c1 ZINC000003773564 568868282 /nfs/dbraw/zinc/86/82/82/568868282.db2.gz HLIGUURFMRVECM-NTEUORMPSA-N -1 0 406.510 3.312 50 10 HGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)c(O)c1 ZINC000001438241 568965240 /nfs/dbraw/zinc/96/52/40/568965240.db2.gz IKRVVZFMUCSRBH-OQLLNIDSSA-N -1 0 403.841 3.492 50 10 HGCARM CCCc1c(C)c2ccc([O-])c(CN3CCN(C(=O)c4ccco4)CC3)c2oc1=O ZINC000015834022 569012784 /nfs/dbraw/zinc/01/27/84/569012784.db2.gz TZSDSRGPVQDBDQ-UHFFFAOYSA-N -1 0 410.470 3.311 50 10 HGCARM CN(C)c1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000245247157 569055388 /nfs/dbraw/zinc/05/53/88/569055388.db2.gz QSIQWSAIMXTUAU-JTDSTZFVSA-N -1 0 423.460 3.021 50 10 HGCARM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1c([O-])ccc(C(=O)COc2ccccc2)c1O ZINC000004026906 569060746 /nfs/dbraw/zinc/06/07/46/569060746.db2.gz XBIJTXYSKHNOQK-FQEVSTJZSA-N -1 0 421.449 3.145 50 10 biogenic HGCARM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000017028222 569272187 /nfs/dbraw/zinc/27/21/87/569272187.db2.gz QYEYNONOEONNJO-WJDWOHSUSA-N -1 0 424.409 3.387 50 10 HGCARM COc1ccc(-c2nc3ccccc3c(=O)n2NCc2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000027532228 569367449 /nfs/dbraw/zinc/36/74/49/569367449.db2.gz FAWQVAWSVUEYEP-UHFFFAOYSA-N -1 0 418.409 3.430 50 10 HGCARM CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCOCC2)c1[O-] ZINC000019720854 569429099 /nfs/dbraw/zinc/42/90/99/569429099.db2.gz GRHNVKMSVYIVFQ-UHFFFAOYSA-N -1 0 419.481 3.447 50 10 HGCARM CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)c1 ZINC000009310496 571247159 /nfs/dbraw/zinc/24/71/59/571247159.db2.gz CSULVOUXVCPKRR-OQLLNIDSSA-N -1 0 417.464 3.409 50 10 HGCARM CCN(CC)/N=N/c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000009969841 571293208 /nfs/dbraw/zinc/29/32/08/571293208.db2.gz PFNWXXQCJNIYMV-LQTLECTNSA-N -1 0 404.492 3.001 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000000638257 132229530 /nfs/dbraw/zinc/22/95/30/132229530.db2.gz FGOZTRCJPDXUPC-GUBFPNNNSA-N -1 0 423.538 3.424 50 10 HGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)c(C)c1 ZINC000001175913 132240394 /nfs/dbraw/zinc/24/03/94/132240394.db2.gz GHNZWCFYKZLDTK-MDWZMJQESA-N -1 0 415.243 3.438 50 10 HGCARM CN(C)c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000001175930 132240444 /nfs/dbraw/zinc/24/04/44/132240444.db2.gz YYNTVEQXENLTEN-NBVRZTHBSA-N -1 0 418.428 3.349 50 10 HGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)cc3)C2=O)cc1 ZINC000001192479 132241360 /nfs/dbraw/zinc/24/13/60/132241360.db2.gz FOXKXNKGIUNCEB-XNTDXEJSSA-N -1 0 401.216 3.124 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1cccnc1 ZINC000002248759 132250419 /nfs/dbraw/zinc/25/04/19/132250419.db2.gz MMKYAUNGQPBARN-GZTJUZNOSA-N -1 0 404.401 3.295 50 10 HGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000004616074 132280141 /nfs/dbraw/zinc/28/01/41/132280141.db2.gz MZHGNVIMDHHLCS-SDNWHVSQSA-N -1 0 414.458 3.454 50 10 HGCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(Br)c2)C1=O ZINC000015837738 132463073 /nfs/dbraw/zinc/46/30/73/132463073.db2.gz OPCFQMCPAJMISN-LCYFTJDESA-N -1 0 415.243 3.384 50 10 HGCARM COCCN(CCOC)Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)cc3)coc21 ZINC000041584388 523716517 /nfs/dbraw/zinc/71/65/17/523716517.db2.gz WECIHNXXGJOLLM-UHFFFAOYSA-N -1 0 413.470 3.269 50 10 HGCARM CCC(=O)Nc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000005120423 535337350 /nfs/dbraw/zinc/33/73/50/535337350.db2.gz BYQJOSQBVXLIRN-FOWTUZBSSA-N -1 0 406.442 3.231 50 10 HGCARM COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(=O)[N-]C2=S)cc1 ZINC000001162836 536657903 /nfs/dbraw/zinc/65/79/03/536657903.db2.gz YAWKHKLHAFMUTH-GHRIWEEISA-N -1 0 421.453 3.456 50 10 HGCARM Cc1ccc(COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)cc1 ZINC000001179136 557229284 /nfs/dbraw/zinc/22/92/84/557229284.db2.gz COWXEGSMQJZIJB-UHFFFAOYSA-N -1 0 415.243 3.086 50 10 HGCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c1 ZINC000001180474 557230241 /nfs/dbraw/zinc/23/02/41/557230241.db2.gz MLYUCQIUKFDIHM-OQLLNIDSSA-N -1 0 401.216 3.124 50 10 HGCARM COC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000004646349 557574879 /nfs/dbraw/zinc/57/48/79/557574879.db2.gz GWXPNBDKQUNSRF-KNPMLCFXSA-N -1 0 407.488 3.010 50 10 HGCARM COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O ZINC000004694732 557582151 /nfs/dbraw/zinc/58/21/51/557582151.db2.gz QMURHDGBFJQIKN-OVCLIPMQSA-N -1 0 401.396 3.163 50 10 HGCARM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000008396943 557786039 /nfs/dbraw/zinc/78/60/39/557786039.db2.gz TXKMNRPAFWRGMP-UHFFFAOYSA-N -1 0 421.430 3.049 50 10 HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(O)c1 ZINC000013539870 558537472 /nfs/dbraw/zinc/53/74/72/558537472.db2.gz OLCVDZMPUUHDMZ-MTJSOVHGSA-N -1 0 415.449 3.462 50 10 HGCARM CN1CCN(c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)CC1 ZINC000013546793 558538037 /nfs/dbraw/zinc/53/80/37/558538037.db2.gz YBRCFBIPFCDMKM-VBKFSLOCSA-N -1 0 414.849 3.192 50 10 HGCARM O=C([O-])c1cc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)ccc1O ZINC000013572250 558542455 /nfs/dbraw/zinc/54/24/55/558542455.db2.gz OAZVDTOIMLRSDO-LZYBPNLTSA-N -1 0 415.448 3.267 50 10 HGCARM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000003098771 558749049 /nfs/dbraw/zinc/74/90/49/558749049.db2.gz ALUVJWJEOMNYFG-XNTDXEJSSA-N -1 0 415.243 3.120 50 10 HGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNn3c(C)cc4ccccc4c3=O)C2=O)cc1 ZINC000095471084 568626290 /nfs/dbraw/zinc/62/62/90/568626290.db2.gz GPHSDDNARAROIJ-PDGQHHTCSA-N -1 0 402.410 3.169 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000001178426 568821487 /nfs/dbraw/zinc/82/14/87/568821487.db2.gz FJZHOZBTEBGNKS-UHFFFAOYSA-N -1 0 421.236 3.330 50 10 HGCARM O=C1[N-]C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N1 ZINC000002978260 568832830 /nfs/dbraw/zinc/83/28/30/568832830.db2.gz VVZMAMLCJPLOPF-UHFFFAOYSA-N -1 0 409.829 3.123 50 10 HGCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000005976269 568833431 /nfs/dbraw/zinc/83/34/31/568833431.db2.gz XKAFAMMKMXHBFV-CPNJWEJPSA-N -1 0 414.421 3.377 50 10 HGCARM CCc1ccc(/C=C2/C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1 ZINC000013576545 569256119 /nfs/dbraw/zinc/25/61/19/569256119.db2.gz VFVJXDBBMLCXDG-WJDWOHSUSA-N -1 0 418.234 3.315 50 10 HGCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)CCN3CC)C1=O ZINC000002423010 132254417 /nfs/dbraw/zinc/25/44/17/132254417.db2.gz UICKWBYWZNECLN-VKAVYKQESA-N -1 0 405.454 3.339 50 10 HGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1 ZINC000005947557 132308794 /nfs/dbraw/zinc/30/87/94/132308794.db2.gz PKSOCWXMKVPRCA-RGEXLXHISA-N -1 0 408.458 3.120 50 10 HGCARM COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1 ZINC000032707961 521937908 /nfs/dbraw/zinc/93/79/08/521937908.db2.gz ZSDAFWXYRGKVDO-OVCLIPMQSA-N -1 0 415.448 3.283 50 10 HGCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1O ZINC000001200181 535659733 /nfs/dbraw/zinc/65/97/33/535659733.db2.gz KGUSRUXHOCDKAG-ZSOIEALJSA-N -1 0 416.817 3.119 50 10 HGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1OC ZINC000008738569 536597823 /nfs/dbraw/zinc/59/78/23/536597823.db2.gz GWTIFQMTIWSUJD-LFIBNONCSA-N -1 0 410.426 3.200 50 10 HGCARM COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000016663378 536633176 /nfs/dbraw/zinc/63/31/76/536633176.db2.gz MCSVFBMOUUJANJ-GDNBJRDFSA-N -1 0 415.243 3.433 50 10 HGCARM COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000005595828 536654975 /nfs/dbraw/zinc/65/49/75/536654975.db2.gz OJNBOVJASMAAAJ-XNTDXEJSSA-N -1 0 401.875 3.401 50 10 HGCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001806828 557289941 /nfs/dbraw/zinc/28/99/41/557289941.db2.gz JGUDVMXQHQXPDZ-CNYBTUBUSA-N -1 0 414.464 3.492 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000002805875 557393071 /nfs/dbraw/zinc/39/30/71/557393071.db2.gz UGKDOANFRSWTEM-OQLLNIDSSA-N -1 0 416.275 3.257 50 10 HGCARM COc1cc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)ccc1O ZINC000013122349 558517532 /nfs/dbraw/zinc/51/75/32/558517532.db2.gz RYBBZFHEKOTILB-IZNAZMGOSA-N -1 0 401.465 3.428 50 10 HGCARM COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O ZINC000013691972 558573615 /nfs/dbraw/zinc/57/36/15/558573615.db2.gz SMXYADCQQUOUOD-UKTHLTGXSA-N -1 0 404.469 3.021 50 10 HGCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1O ZINC000027530368 558674076 /nfs/dbraw/zinc/67/40/76/558674076.db2.gz WNBKSWZBVSXRBR-GIDUJCDVSA-N -1 0 401.421 3.225 50 10 HGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1Br ZINC000015823239 558754724 /nfs/dbraw/zinc/75/47/24/558754724.db2.gz BFYJOMOZZFQVLG-FLIBITNWSA-N -1 0 419.206 3.263 50 10 HGCARM COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000013575518 558844105 /nfs/dbraw/zinc/84/41/05/558844105.db2.gz CSLTYBHPPLEDOC-UHFFFAOYSA-N -1 0 421.236 3.330 50 10 HGCARM COc1ccc(-c2csc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000011615620 559114746 /nfs/dbraw/zinc/11/47/46/559114746.db2.gz CDEZFFHQKHNFAT-UHFFFAOYSA-N -1 0 404.469 3.391 50 10 HGCARM CCCC[C@@H](CC)COCCCNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000100164111 559167492 /nfs/dbraw/zinc/16/74/92/559167492.db2.gz HMOONHOADOQKQX-VXNZKSKFSA-N -1 0 401.507 3.366 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000100720483 559259941 /nfs/dbraw/zinc/25/99/41/559259941.db2.gz WBFUWUXVIMDQIV-ZROIWOOFSA-N -1 0 404.195 3.167 50 10 HGCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)OCO3)N2 ZINC000103020675 560836797 /nfs/dbraw/zinc/83/67/97/560836797.db2.gz FKCUFGDZFCIEGA-MCFFVMPBSA-N -1 0 406.438 3.446 50 10 HGCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)=O ZINC000000832866 568511708 /nfs/dbraw/zinc/51/17/08/568511708.db2.gz RLHWGECDSHZPPG-SXGWCWSVSA-N -1 0 414.845 3.434 50 10 HGCARM COc1ccccc1Oc1coc2c(ccc([O-])c2C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1=O ZINC000004026114 568878083 /nfs/dbraw/zinc/87/80/83/568878083.db2.gz XPOQYTGPGIRHPZ-OAHLLOKOSA-N -1 0 411.410 3.349 50 10 biogenic HGCARM COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000004503513 568918271 /nfs/dbraw/zinc/91/82/71/568918271.db2.gz ZGECIUVJADIBAS-CXUHLZMHSA-N -1 0 401.465 3.461 50 10 HGCARM CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\NC(=O)[N-]C3=O)c1C)CCCC2 ZINC000001410552 568930143 /nfs/dbraw/zinc/93/01/43/568930143.db2.gz MEGXSDCFWCVDID-GDNBJRDFSA-N -1 0 413.499 3.391 50 10 HGCARM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000014404004 569259834 /nfs/dbraw/zinc/25/98/34/569259834.db2.gz ZRDZZFBVRWODOP-UHFFFAOYSA-N -1 0 403.341 3.483 50 10 HGCARM COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000008994458 571208246 /nfs/dbraw/zinc/20/82/46/571208246.db2.gz SGBKBSWEXSPVOO-XYOKQWHBSA-N -1 0 400.362 3.358 50 10 HGCARM Cc1cccc(CN2c3ccccc3/C(=C3\SC(=S)N(CC(=O)[O-])C3=O)C2=O)c1 ZINC000009234551 571240011 /nfs/dbraw/zinc/24/00/11/571240011.db2.gz HFASOFLCCCGVFD-ISLYRVAYSA-N -1 0 424.503 3.198 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccnc1 ZINC000009010566 132227998 /nfs/dbraw/zinc/22/79/98/132227998.db2.gz SLRLXWMFRYGUCB-GZTJUZNOSA-N -1 0 420.469 3.460 50 10 HGCARM COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000001194914 132241350 /nfs/dbraw/zinc/24/13/50/132241350.db2.gz RBEHQQOAKPWMDI-RIYZIHGNSA-N -1 0 411.370 3.427 50 10 HGCARM CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C1=O)OCO2 ZINC000004679768 132282500 /nfs/dbraw/zinc/28/25/00/132282500.db2.gz SNZMZTBAHSQXFJ-SXGWCWSVSA-N -1 0 408.410 3.043 50 10 HGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCc3c[nH]c4ccccc34)C2=O)cc1C ZINC000006131730 132309343 /nfs/dbraw/zinc/30/93/43/132309343.db2.gz XBXATDXVCOKQMW-UYRXBGFRSA-N -1 0 402.454 3.084 50 10 HGCARM COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000012382984 132359373 /nfs/dbraw/zinc/35/93/73/132359373.db2.gz QPKVXNYVHHBZAJ-BOPFTXTBSA-N -1 0 409.398 3.393 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1C ZINC000013570345 558541983 /nfs/dbraw/zinc/54/19/83/558541983.db2.gz UYVWKLIMGOUIHM-OVCLIPMQSA-N -1 0 402.248 3.071 50 10 aggregator HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1O ZINC000013655854 558558828 /nfs/dbraw/zinc/55/88/28/558558828.db2.gz JJLRNDZGVDNUOM-BOPFTXTBSA-N -1 0 405.410 3.055 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OC ZINC000013915205 558602154 /nfs/dbraw/zinc/60/21/54/558602154.db2.gz SGCFIHWZFUALFV-ZSOIEALJSA-N -1 0 400.818 3.019 50 10 HGCARM CC1=NN(c2cc(S(=O)(=O)[O-])ccc2Cl)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000016693685 558800484 /nfs/dbraw/zinc/80/04/84/558800484.db2.gz CJLLDOWWBVHSAO-YBEGLDIGSA-N -1 0 419.890 3.459 50 10 HGCARM O=C([O-])Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 ZINC000017082451 558814609 /nfs/dbraw/zinc/81/46/09/558814609.db2.gz IGBYGKQSAPYEBO-TUTDSIAXSA-N -1 0 402.497 3.106 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)=O ZINC000004839146 559167026 /nfs/dbraw/zinc/16/70/26/559167026.db2.gz QZFCSQMVFKMKBN-NVNXTCNLSA-N -1 0 400.818 3.044 50 10 HGCARM COc1cc(/C=C2\C(C)=NN(c3ccc(C(=O)[O-])cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000005046003 559236636 /nfs/dbraw/zinc/23/66/36/559236636.db2.gz WGMMVFWRPHFIDY-OVCLIPMQSA-N -1 0 411.370 3.116 50 10 HGCARM CC[C@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)c2C(N)=O)C1 ZINC000005764261 568454821 /nfs/dbraw/zinc/45/48/21/568454821.db2.gz MBBJNJCADUBLNX-LBPRGKRZSA-N -1 0 421.544 3.121 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Br)cn1 ZINC000095471514 568626545 /nfs/dbraw/zinc/62/65/45/568626545.db2.gz UPYJAWFNNNDXJF-WQLSENKSSA-N -1 0 421.638 3.076 50 10 HGCARM O=c1cc(-c2ccc(O)c(O)c2)oc2c1c([O-])cc1c2[C@H](c2cccnc2)CC(=O)O1 ZINC000096114551 568694267 /nfs/dbraw/zinc/69/42/67/568694267.db2.gz AWCSCIFTABHQHU-ZDUSSCGKSA-N -1 0 417.373 3.413 50 10 biogenic HGCARM CCN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 ZINC000334163441 568764044 /nfs/dbraw/zinc/76/40/44/568764044.db2.gz SDTJBCGBEUROHN-ZHZULCJRSA-N -1 0 407.470 3.169 50 10 HGCARM N=C1Nc2nc3cc4c(cc3n2[C@H](c2cc(Cl)cc(Cl)c2[O-])N1)OCCCO4 ZINC000012550430 568853082 /nfs/dbraw/zinc/85/30/82/568853082.db2.gz IBRYRTHFXVBQEW-MRXNPFEDSA-N -1 0 420.256 3.306 50 10 HGCARM O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000035640531 569047055 /nfs/dbraw/zinc/04/70/55/569047055.db2.gz ATHKQAYJQUCBPB-NTEUORMPSA-N -1 0 419.440 3.123 50 10 HGCARM CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(Br)cc1[O-])C2O ZINC000019323139 569418738 /nfs/dbraw/zinc/41/87/38/569418738.db2.gz ZMONXTLCRZNSKN-UHFFFAOYSA-N -1 0 409.368 3.444 50 10 biogenic HGCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000001095172 132237049 /nfs/dbraw/zinc/23/70/49/132237049.db2.gz BOXPNZMEHKIUEL-RVDMUPIBSA-N -1 0 401.875 3.365 50 10 HGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc(OC)c3)C2=O)cc1 ZINC000002355203 132253243 /nfs/dbraw/zinc/25/32/43/132253243.db2.gz CPCJZUZSRSQFIM-XMHGGMMESA-N -1 0 424.526 3.285 50 10 HGCARM COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000008738826 132332829 /nfs/dbraw/zinc/33/28/29/132332829.db2.gz GDQZVWPTOPKPIF-SXGWCWSVSA-N -1 0 410.426 3.200 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000008861773 132333793 /nfs/dbraw/zinc/33/37/93/132333793.db2.gz LJOCTDJMJVLBOX-WUXMJOGZSA-N -1 0 415.745 3.484 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(Br)c1 ZINC000009311329 132338460 /nfs/dbraw/zinc/33/84/60/132338460.db2.gz KJCLYBBKYDVCBI-GHXNOFRVSA-N -1 0 421.634 3.475 50 10 HGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1 ZINC000000852788 521036402 /nfs/dbraw/zinc/03/64/02/521036402.db2.gz QARRMTOPJAWRNQ-RIYZIHGNSA-N -1 0 416.817 3.119 50 10 HGCARM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000000705278 536632633 /nfs/dbraw/zinc/63/26/33/536632633.db2.gz ALWJFAWHOHWKJN-XNTDXEJSSA-N -1 0 415.243 3.433 50 10 HGCARM COc1ccc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)[O-])C2=O)cc1OC ZINC000001811556 557290117 /nfs/dbraw/zinc/29/01/17/557290117.db2.gz OOHQCVTWMGHBOB-ZECSTPGPSA-N -1 0 413.542 3.111 50 10 HGCARM COc1ccc(C=C2SC(=S)N(C3=C([O-])N(c4ccccc4)C(=O)C3)C2=O)cc1 ZINC000034846409 557468986 /nfs/dbraw/zinc/46/89/86/557468986.db2.gz GLFJCAHYRICIAR-KTZOAPACSA-N -1 0 424.503 3.229 50 10 HGCARM COc1cc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)cc(OC)c1OC ZINC000005213996 557640248 /nfs/dbraw/zinc/64/02/48/557640248.db2.gz GDOVXJCIPCHFCG-YBEGLDIGSA-N -1 0 414.439 3.493 50 10 HGCARM COc1ccc(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)[O-])C2=O)cc1OC ZINC000012625297 558439959 /nfs/dbraw/zinc/43/99/59/558439959.db2.gz OOHQCVTWMGHBOB-HOXUKUGESA-N -1 0 413.542 3.111 50 10 HGCARM Cc1cccc(OCCn2cccc2/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1 ZINC000013552040 558539385 /nfs/dbraw/zinc/53/93/85/558539385.db2.gz CWEAJHXLLCZARC-XSFVSMFZSA-N -1 0 419.437 3.131 50 10 HGCARM Cc1ccc(/C=C2\SC(=S)N([N-]S(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000013590103 558545962 /nfs/dbraw/zinc/54/59/62/558545962.db2.gz MOIOSXGCTISSAW-WJDWOHSUSA-N -1 0 404.538 3.398 50 10 HGCARM Cc1c(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(Cl)nn1-c1ccccc1 ZINC000015945506 558763402 /nfs/dbraw/zinc/76/34/02/558763402.db2.gz HISYMYQKRWOQMQ-LDADJPATSA-N -1 0 420.856 3.496 50 10 HGCARM CCOC(=O)COc1ccccc1/C=C1/C(=O)N(c2ccc(C(=O)[O-])cc2)N=C1C ZINC000033457983 559194070 /nfs/dbraw/zinc/19/40/70/559194070.db2.gz RWTWYIXQHPSOAD-LDADJPATSA-N -1 0 408.410 3.133 50 10 HGCARM COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](CCSC)C(=O)[O-])C2=O)c1 ZINC000005501270 560601159 /nfs/dbraw/zinc/60/11/59/560601159.db2.gz MZRHXSZHLGJRSN-OJLMPMFISA-N -1 0 413.542 3.111 50 10 HGCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(I)c1 ZINC000000725484 568467441 /nfs/dbraw/zinc/46/74/41/568467441.db2.gz UAPDJRFIZUXZLU-ZSOIEALJSA-N -1 0 424.625 3.406 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000022135449 568475826 /nfs/dbraw/zinc/47/58/26/568475826.db2.gz JIQJQGGBYVQVLK-XNTDXEJSSA-N -1 0 417.284 3.289 50 10 HGCARM COc1ccccc1Oc1c(C)oc2c(ccc([O-])c2CN2CCN(C)CC2)c1=O ZINC000020393952 568604045 /nfs/dbraw/zinc/60/40/45/568604045.db2.gz QXDHBTYIYLAPSO-UHFFFAOYSA-N -1 0 410.470 3.355 50 10 HGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000001066979 568766625 /nfs/dbraw/zinc/76/66/25/568766625.db2.gz OLJKFVWIVFPERB-XSFVSMFZSA-N -1 0 407.470 3.203 50 10 HGCARM Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)o1 ZINC000002931737 568818281 /nfs/dbraw/zinc/81/82/81/568818281.db2.gz CNOQNNWXFUHCRX-VGOFMYFVSA-N -1 0 404.425 3.449 50 10 HGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1Br ZINC000016681119 569070381 /nfs/dbraw/zinc/07/03/81/569070381.db2.gz GQWVPPAQWAALCB-ZROIWOOFSA-N -1 0 415.243 3.120 50 10 HGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC)cc(OC)cc3OC)C2=O)c1 ZINC000017027392 569271813 /nfs/dbraw/zinc/27/18/13/569271813.db2.gz JXFQRHCOIZFTAB-LFIBNONCSA-N -1 0 412.398 3.228 50 10 HGCARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1 ZINC000009969845 571293196 /nfs/dbraw/zinc/29/31/96/571293196.db2.gz JPJJFZMHMZRKQQ-KFGJJWJMSA-N -1 0 416.503 3.145 50 10 HGCARM COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000000705251 536632857 /nfs/dbraw/zinc/63/28/57/536632857.db2.gz AHPXELALXOZLCI-GXDHUFHOSA-N -1 0 415.243 3.433 50 10 HGCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccco1 ZINC000001101109 132237114 /nfs/dbraw/zinc/23/71/14/132237114.db2.gz STVGXGDGOSEQDW-GSPDUGTFSA-N -1 0 403.257 3.430 50 10 HGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1C ZINC000001172650 132240296 /nfs/dbraw/zinc/24/02/96/132240296.db2.gz IAVMYNPXULQGHF-RIYZIHGNSA-N -1 0 415.243 3.438 50 10 HGCARM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1 ZINC000005026023 132298731 /nfs/dbraw/zinc/29/87/31/132298731.db2.gz KQFPOPYNVCLYDF-XNTDXEJSSA-N -1 0 410.382 3.084 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000013774465 132459324 /nfs/dbraw/zinc/45/93/24/132459324.db2.gz OSNKFTUPLJIFQL-XFXZXTDPSA-N -1 0 411.215 3.196 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000000845445 523417474 /nfs/dbraw/zinc/41/74/74/523417474.db2.gz NHMZHNLPWHNFCB-NTEUORMPSA-N -1 0 415.243 3.433 50 10 HGCARM Cc1oc2c(ccc([O-])c2CN(C)[C@@H]2CCS(=O)(=O)C2)c(=O)c1-c1ccccc1 ZINC000032888276 526779437 /nfs/dbraw/zinc/77/94/37/526779437.db2.gz ANXPUTJRWSTPPY-MRXNPFEDSA-N -1 0 413.495 3.093 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001225740 536598054 /nfs/dbraw/zinc/59/80/54/536598054.db2.gz YUGWOKCYIFDQEW-XNTDXEJSSA-N -1 0 401.216 3.124 50 10 HGCARM COc1ccc(N2C(=O)/C(=C/c3cn(C(C)=O)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000000712440 536658303 /nfs/dbraw/zinc/65/83/03/536658303.db2.gz MZCBTUKHBLHMNI-WOJGMQOQSA-N -1 0 419.462 3.141 50 10 HGCARM COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3F)C(=O)[N-]C2=S)cc1 ZINC000004458816 536659475 /nfs/dbraw/zinc/65/94/75/536659475.db2.gz YAWKHKLHAFMUTH-LGMDPLHJSA-N -1 0 421.453 3.456 50 10 HGCARM O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc21 ZINC000003832806 557499301 /nfs/dbraw/zinc/49/93/01/557499301.db2.gz OMOFWPHAYNNIFC-UHFFFAOYSA-N -1 0 408.391 3.171 50 10 HGCARM CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000005611671 557665150 /nfs/dbraw/zinc/66/51/50/557665150.db2.gz WSSZSFBJFPMOGL-PDGQHHTCSA-N -1 0 418.906 3.309 50 10 HGCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000013511798 558535701 /nfs/dbraw/zinc/53/57/01/558535701.db2.gz XEWSSPDJKUKTLM-ODLFYWEKSA-N -1 0 420.469 3.460 50 10 HGCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000026771418 558665039 /nfs/dbraw/zinc/66/50/39/558665039.db2.gz JGUDVMXQHQXPDZ-KFXIKWRMSA-N -1 0 414.464 3.492 50 10 HGCARM COC(=O)Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000015769307 558752340 /nfs/dbraw/zinc/75/23/40/558752340.db2.gz HWQNNSWVSQPUFR-GZTJUZNOSA-N -1 0 419.462 3.486 50 10 HGCARM O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000036103554 558797831 /nfs/dbraw/zinc/79/78/31/558797831.db2.gz XOGMBAMAADGXQA-NVNXTCNLSA-N -1 0 415.452 3.140 50 10 HGCARM COC(=O)c1cc(N=C(C)c2c(C)[n-]n(-c3ccccc3)c2=O)cc(C(=O)OC)c1 ZINC000100423108 559199568 /nfs/dbraw/zinc/19/95/68/559199568.db2.gz KTHOIDYDGZOQNW-UYRXBGFRSA-N -1 0 407.426 3.368 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br ZINC000013039780 560791846 /nfs/dbraw/zinc/79/18/46/560791846.db2.gz KMFSDYKCRDMJRB-UKTHLTGXSA-N -1 0 401.216 3.124 50 10 HGCARM CCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1Br ZINC000108507612 568418989 /nfs/dbraw/zinc/41/89/89/568418989.db2.gz GBTCRDWOLUCKTE-WDZFZDKYSA-N -1 0 402.291 3.134 50 10 HGCARM CC[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)c2C(N)=O)C1 ZINC000005764260 568454865 /nfs/dbraw/zinc/45/48/65/568454865.db2.gz MBBJNJCADUBLNX-GFCCVEGCSA-N -1 0 421.544 3.121 50 10 HGCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(O)c(Br)c1 ZINC000034234828 568533633 /nfs/dbraw/zinc/53/36/33/568533633.db2.gz FOARFFYUNLVJIT-GHXNOFRVSA-N -1 0 403.188 3.367 50 10 HGCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc32)CC1 ZINC000020391835 568603864 /nfs/dbraw/zinc/60/38/64/568603864.db2.gz GPUCVLWFGMXDQH-UHFFFAOYSA-N -1 0 422.481 3.074 50 10 HGCARM Cn1nccc1[C@H]1CC(=O)Oc2c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114384 568694074 /nfs/dbraw/zinc/69/40/74/568694074.db2.gz WVDWHQWISUOYIC-GFCCVEGCSA-N -1 0 404.378 3.046 50 10 biogenic HGCARM N=C1Nc2nc3cc4c(cc3n2[C@@H](c2cc(Cl)cc(Cl)c2[O-])N1)OCCCO4 ZINC000012550427 568853072 /nfs/dbraw/zinc/85/30/72/568853072.db2.gz IBRYRTHFXVBQEW-INIZCTEOSA-N -1 0 420.256 3.306 50 10 HGCARM O=C1[N-]C(=O)C(=Cc2ccccc2Oc2ccc(Br)cc2F)C(=O)N1 ZINC000004050223 568880491 /nfs/dbraw/zinc/88/04/91/568880491.db2.gz TWOSVNVVRBYLFE-UHFFFAOYSA-N -1 0 405.179 3.130 50 10 HGCARM CCC(=O)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000015658719 568959674 /nfs/dbraw/zinc/95/96/74/568959674.db2.gz GBXGECKOBKLYFH-DHDCSXOGSA-N -1 0 414.845 3.434 50 10 HGCARM Cc1ccc(F)cc1S(=O)(=O)Nc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000170610503 569245360 /nfs/dbraw/zinc/24/53/60/569245360.db2.gz HLOTZHGIWVUJLM-UHFFFAOYSA-N -1 0 412.386 3.196 50 10 HGCARM CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)cc2)SC1=S ZINC000010381683 569291312 /nfs/dbraw/zinc/29/13/12/569291312.db2.gz HOKNSOVKAHMBKB-OVCLIPMQSA-N -1 0 414.464 3.174 50 10 HGCARM CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(O)cc3C(=O)[O-])cc2)SC1=S ZINC000010381685 569291362 /nfs/dbraw/zinc/29/13/62/569291362.db2.gz UXOBGYANDXUOGZ-OVCLIPMQSA-N -1 0 414.464 3.174 50 10 HGCARM O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1[N-]S(=O)(=O)c1ccccc1 ZINC000008828410 571122545 /nfs/dbraw/zinc/12/25/45/571122545.db2.gz ALZBXHUQYNOPGT-YBEGLDIGSA-N -1 0 415.521 3.263 50 10 HGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C2=O)c1 ZINC000008994926 571208413 /nfs/dbraw/zinc/20/84/13/571208413.db2.gz REFQSLAAQCHPOU-YWXUCKCNSA-N -1 0 421.457 3.129 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000001093829 132236858 /nfs/dbraw/zinc/23/68/58/132236858.db2.gz PLLRMBGTNCKAOL-YBFXNURJSA-N -1 0 404.401 3.295 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000001194874 132241407 /nfs/dbraw/zinc/24/14/07/132241407.db2.gz XJSUCWIRIMJSFG-MDWZMJQESA-N -1 0 413.411 3.284 50 10 HGCARM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000001245307 132243222 /nfs/dbraw/zinc/24/32/22/132243222.db2.gz USGIZGNZBYCYBD-QGOAFFKASA-N -1 0 407.426 3.436 50 10 HGCARM CCN(CC)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000004718294 132285755 /nfs/dbraw/zinc/28/57/55/132285755.db2.gz XAUFRZIFNABNKM-HKWRFOASSA-N -1 0 406.486 3.265 50 10 HGCARM CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)C(=O)[N-]C2=S)cc1 ZINC000004742276 132287105 /nfs/dbraw/zinc/28/71/05/132287105.db2.gz HYBZSKQMHGBUQO-GDNBJRDFSA-N -1 0 402.859 3.276 50 10 HGCARM Cc1ccc(N2C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C(=O)[N-]C2=S)cc1 ZINC000006897979 132319967 /nfs/dbraw/zinc/31/99/67/132319967.db2.gz LYPRZQFFNFKLBW-BSKAQADGSA-N -1 0 421.526 3.165 50 10 HGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000009076622 132335525 /nfs/dbraw/zinc/33/55/25/132335525.db2.gz MTYLFVFKTZWTEM-SAPNQHFASA-N -1 0 424.526 3.285 50 10 HGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3coc4ccc(Cl)cc4c3=O)C2=O)cc1 ZINC000009318282 132338449 /nfs/dbraw/zinc/33/84/49/132338449.db2.gz PMSKFILYJOQJIJ-LZYBPNLTSA-N -1 0 424.796 3.121 50 10 HGCARM CCOC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000009330117 132338682 /nfs/dbraw/zinc/33/86/82/132338682.db2.gz RHKHRSNFSMAVQJ-SDNWHVSQSA-N -1 0 421.384 3.150 50 10 HGCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(OCC)c1 ZINC000012363820 132358997 /nfs/dbraw/zinc/35/89/97/132358997.db2.gz YJVQKEMSDAKAHB-PTNGSMBKSA-N -1 0 414.458 3.454 50 10 HGCARM COc1ccc(N2CCN([C@@H](c3ccco3)c3sc4ncnn4c3[O-])CC2)cc1 ZINC000022610125 132475102 /nfs/dbraw/zinc/47/51/02/132475102.db2.gz PRZAIVJHVXQZPB-KRWDZBQOSA-N -1 0 411.487 3.010 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000001178806 557228987 /nfs/dbraw/zinc/22/89/87/557228987.db2.gz RCZBMURTXUZQQS-NTUHNPAUSA-N -1 0 420.238 3.087 50 10 HGCARM Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000002936955 557428301 /nfs/dbraw/zinc/42/83/01/557428301.db2.gz SRRVIOUBRAISIL-OVCLIPMQSA-N -1 0 417.468 3.288 50 10 HGCARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000003877714 557502088 /nfs/dbraw/zinc/50/20/88/557502088.db2.gz SMCWXJPWOABBDE-UHFFFAOYSA-N -1 0 420.446 3.221 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000013569901 558541753 /nfs/dbraw/zinc/54/17/53/558541753.db2.gz VAGHQCRTNFUFBR-NTUHNPAUSA-N -1 0 415.789 3.232 50 10 HGCARM O=C1[N-]C(=O)C(=Cc2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N1 ZINC000004560266 558727082 /nfs/dbraw/zinc/72/70/82/558727082.db2.gz VTSNIEXMYZEDQN-UHFFFAOYSA-N -1 0 409.829 3.123 50 10 HGCARM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1 ZINC000017028625 558812379 /nfs/dbraw/zinc/81/23/79/558812379.db2.gz TUYCNXKEITUSPG-GZTJUZNOSA-N -1 0 424.409 3.387 50 10 HGCARM O=C([O-])c1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004745503 559046547 /nfs/dbraw/zinc/04/65/47/559046547.db2.gz QPRRMRHUTHGIPE-GXDHUFHOSA-N -1 0 402.453 3.208 50 10 HGCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 ZINC000000865577 559292644 /nfs/dbraw/zinc/29/26/44/559292644.db2.gz KVOKWVVCBRCYSZ-KPKJPENVSA-N -1 0 422.622 3.472 50 10 HGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S ZINC000005373737 560574481 /nfs/dbraw/zinc/57/44/81/560574481.db2.gz VSNWNAOMMGEYDN-RLIURORJSA-N -1 0 411.501 3.167 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000001185116 560727761 /nfs/dbraw/zinc/72/77/61/560727761.db2.gz WMIIYDPWUVJLES-UHFFFAOYSA-N -1 0 416.433 3.485 50 10 HGCARM NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccccc2Cl)c1=O ZINC000102067779 560807663 /nfs/dbraw/zinc/80/76/63/560807663.db2.gz SRQTVNVFHFTYLB-YISVQYQQSA-N -1 0 402.823 3.191 50 10 HGCARM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000016309452 560859869 /nfs/dbraw/zinc/85/98/69/560859869.db2.gz YWCUROCPEZRHNC-LFIBNONCSA-N -1 0 414.259 3.182 50 10 HGCARM COc1cc(Br)c(/C=C2\C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc1OC ZINC000001193288 568823068 /nfs/dbraw/zinc/82/30/68/568823068.db2.gz JHQHDIOGOXFTEM-RIYZIHGNSA-N -1 0 417.259 3.236 50 10 HGCARM Cc1cccc(C)c1OCCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O ZINC000002977329 568832630 /nfs/dbraw/zinc/83/26/30/568832630.db2.gz SNCCQJMXYQLTLI-UHFFFAOYSA-N -1 0 414.845 3.164 50 10 HGCARM Cc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)NC3=O)c3ccccc32)c(C)c1 ZINC000002977615 568832806 /nfs/dbraw/zinc/83/28/06/568832806.db2.gz ZEHTXGDRHCGSHR-UHFFFAOYSA-N -1 0 403.438 3.087 50 10 HGCARM COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c(OC)c1 ZINC000003773558 568868258 /nfs/dbraw/zinc/86/82/58/568868258.db2.gz RQMBCJNZGBMZMB-RIYZIHGNSA-N -1 0 406.510 3.312 50 10 HGCARM COc1ccc(/C=C2/SC(=S)N([N-]S(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000015986554 569025284 /nfs/dbraw/zinc/02/52/84/569025284.db2.gz MAENARCRULSGLV-LFIBNONCSA-N -1 0 420.537 3.098 50 10 HGCARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000008835891 571123199 /nfs/dbraw/zinc/12/31/99/571123199.db2.gz BVKUPNBIPQGFGR-UHFFFAOYSA-N -1 0 421.430 3.049 50 10 HGCARM CN1C(=O)/C(=C/c2ccc(C(=O)Nc3ccc(O)cc3C(=O)[O-])cc2)SC1=S ZINC000009253080 571242738 /nfs/dbraw/zinc/24/27/38/571242738.db2.gz UXOBGYANDXUOGZ-NVNXTCNLSA-N -1 0 414.464 3.174 50 10 HGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(OC)c3)C2=O)cc1 ZINC000001086705 132236811 /nfs/dbraw/zinc/23/68/11/132236811.db2.gz FUWSPCLIIIEHQE-ATVHPVEESA-N -1 0 410.426 3.159 50 10 HGCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cccnc1 ZINC000001204345 132242386 /nfs/dbraw/zinc/24/23/86/132242386.db2.gz ZQXMEUDINYAYAP-XDHOZWIPSA-N -1 0 400.438 3.464 50 10 HGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OC ZINC000002276716 132251231 /nfs/dbraw/zinc/25/12/31/132251231.db2.gz UCDWLORSGLWTGD-RIYZIHGNSA-N -1 0 400.362 3.358 50 10 HGCARM Cc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1C ZINC000004457774 132277338 /nfs/dbraw/zinc/27/73/38/132277338.db2.gz GBUNUWNJZFJVHR-ZROIWOOFSA-N -1 0 414.805 3.444 50 10 HGCARM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(C)c3C)C2=O)c1 ZINC000004700186 132283705 /nfs/dbraw/zinc/28/37/05/132283705.db2.gz XEIKYDDGHHLBTQ-GZTJUZNOSA-N -1 0 411.458 3.106 50 10 HGCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O ZINC000004742999 132287047 /nfs/dbraw/zinc/28/70/47/132287047.db2.gz FZKADEYBCRIIMZ-NTUHNPAUSA-N -1 0 402.859 3.194 50 10 HGCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3OC)C2=O)c1 ZINC000009331298 132338638 /nfs/dbraw/zinc/33/86/38/132338638.db2.gz XAEKAWZXSKDKJK-UVTDQMKNSA-N -1 0 412.398 3.228 50 10 HGCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(OC)c(OC)c4)coc32)CC1 ZINC000020567639 521686418 /nfs/dbraw/zinc/68/64/18/521686418.db2.gz YZDGDBVMPXJWAN-UHFFFAOYSA-N -1 0 424.497 3.320 50 10 biogenic HGCARM Cc1oc2c(ccc([O-])c2CN(C)[C@H]2CCS(=O)(=O)C2)c(=O)c1-c1ccccc1 ZINC000032888277 526780014 /nfs/dbraw/zinc/78/00/14/526780014.db2.gz ANXPUTJRWSTPPY-INIZCTEOSA-N -1 0 413.495 3.093 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1O ZINC000004546339 536597269 /nfs/dbraw/zinc/59/72/69/536597269.db2.gz FIHDCUUBBTVPNV-JXMROGBWSA-N -1 0 407.209 3.374 50 10 HGCARM COc1cc(/C=C2/C(=O)[N-]N(c3cccc(F)c3)C2=O)ccc1OC(=O)c1ccco1 ZINC000001145382 557207543 /nfs/dbraw/zinc/20/75/43/557207543.db2.gz DSIFLCRZJBFRNA-YBEGLDIGSA-N -1 0 422.368 3.108 50 10 HGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1 ZINC000004704514 557584678 /nfs/dbraw/zinc/58/46/78/557584678.db2.gz QARRMTOPJAWRNQ-ZSOIEALJSA-N -1 0 416.817 3.119 50 10 HGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1 ZINC000005337404 557645546 /nfs/dbraw/zinc/64/55/46/557645546.db2.gz PHUMVGUYCMWMSI-GDNBJRDFSA-N -1 0 400.276 3.285 50 10 HGCARM COc1ccc(/C=C2\SC(=S)N([C@H](CCSC)C(=O)[O-])C2=O)c(OC)c1 ZINC000013583157 558545554 /nfs/dbraw/zinc/54/55/54/558545554.db2.gz UVUMEQJXUQOXTP-UGMNDJHYSA-N -1 0 413.542 3.111 50 10 HGCARM O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000013751600 558589911 /nfs/dbraw/zinc/58/99/11/558589911.db2.gz NLUOXRLVMCDWSA-QGOAFFKASA-N -1 0 410.455 3.093 50 10 HGCARM COc1cccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1OC(C)C ZINC000015012814 558700896 /nfs/dbraw/zinc/70/08/96/558700896.db2.gz WZIRKVOSZFXJEZ-WJDWOHSUSA-N -1 0 414.458 3.453 50 10 HGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3Br)C2=O)c1 ZINC000101350216 560793260 /nfs/dbraw/zinc/79/32/60/560793260.db2.gz OKPAMVIGXJBYJV-JLHYYAGUSA-N -1 0 400.232 3.336 50 10 HGCARM CCCCCCNC=C1C(=O)[N-]C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000103019476 560836778 /nfs/dbraw/zinc/83/67/78/560836778.db2.gz PUDDIWFSSYSZDG-JQIJEIRASA-N -1 0 403.479 3.219 50 10 HGCARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)cc1 ZINC000103079479 560837621 /nfs/dbraw/zinc/83/76/21/560837621.db2.gz YSVKRYZWYMEBMB-BHDDXSALSA-N -1 0 416.433 3.452 50 10 HGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc([N+](=O)[O-])cc3Cl)C2=O)c1 ZINC000095471459 568626719 /nfs/dbraw/zinc/62/67/19/568626719.db2.gz BQGIIWMOZOIYKO-UKTHLTGXSA-N -1 0 400.778 3.135 50 10 HGCARM CC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc2s1 ZINC000015863380 569016126 /nfs/dbraw/zinc/01/61/26/569016126.db2.gz CEISMJOCNBUANF-UHFFFAOYSA-N -1 0 405.486 3.060 50 10 HGCARM O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000001859050 569056666 /nfs/dbraw/zinc/05/66/66/569056666.db2.gz PPVOSCKLXUULHC-MDWZMJQESA-N -1 0 404.494 3.286 50 10 HGCARM O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000008763428 571114411 /nfs/dbraw/zinc/11/44/11/571114411.db2.gz IBZRRPKCGZJMOZ-QPEQYQDCSA-N -1 0 421.481 3.202 50 10 HGCARM O=C(CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21)Nc1ccc(F)c(Cl)c1 ZINC000009641692 571275922 /nfs/dbraw/zinc/27/59/22/571275922.db2.gz GTCCRHKKUQFZLQ-UHFFFAOYSA-N -1 0 419.825 3.201 50 10 HGCARM Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)[N-]C1=S ZINC000004608395 132280114 /nfs/dbraw/zinc/28/01/14/132280114.db2.gz LSQBOUDNELFZOU-QGOAFFKASA-N -1 0 403.463 3.323 50 10 HGCARM COc1cc(N2C(=O)C(=CC=Cc3ccco3)C(=O)[N-]C2=S)cc(OC)c1OC ZINC000006858304 132319343 /nfs/dbraw/zinc/31/93/43/132319343.db2.gz OSKWUAOCMAIICQ-QHOJYGHMSA-N -1 0 414.439 3.104 50 10 HGCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c(OC)c1 ZINC000008741138 132332810 /nfs/dbraw/zinc/33/28/10/132332810.db2.gz ULDXKKBPKMLCRQ-CPNJWEJPSA-N -1 0 423.469 3.421 50 10 HGCARM COc1ccc(OC)c(N2C(=O)/C(=C\c3cn(C)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000009335076 132338752 /nfs/dbraw/zinc/33/87/52/132338752.db2.gz RHKDKCGRYAMNQL-YBEGLDIGSA-N -1 0 421.478 3.027 50 10 HGCARM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1 ZINC000033154746 521482145 /nfs/dbraw/zinc/48/21/45/521482145.db2.gz TUYCNXKEITUSPG-BOPFTXTBSA-N -1 0 424.409 3.387 50 10 HGCARM COc1ccc(/C=C2/SC(=S)N([C@@H](CCSC)C(=O)[O-])C2=O)cc1OC ZINC000001811553 557290108 /nfs/dbraw/zinc/29/01/08/557290108.db2.gz OOHQCVTWMGHBOB-LUHPIMIVSA-N -1 0 413.542 3.111 50 10 HGCARM COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000002301890 557335592 /nfs/dbraw/zinc/33/55/92/557335592.db2.gz NLOLDCJAJMMYCK-CXUHLZMHSA-N -1 0 401.465 3.461 50 10 HGCARM O=C1[N-]C(=O)N(Cc2ccccc2Cl)C(=O)C1=CNCc1ccccc1Cl ZINC000002833222 557398212 /nfs/dbraw/zinc/39/82/12/557398212.db2.gz ZWLDDWRUYNLGFP-GXDHUFHOSA-N -1 0 404.253 3.246 50 10 HGCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000004823829 557603311 /nfs/dbraw/zinc/60/33/11/557603311.db2.gz QRCGZVVZRATLQP-UHFFFAOYSA-N -1 0 402.362 3.143 50 10 HGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S ZINC000013735557 558588357 /nfs/dbraw/zinc/58/83/57/558588357.db2.gz PBQSMIPLBZGJDO-YLQKULKDSA-N -1 0 422.597 3.477 50 10 HGCARM CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1Br ZINC000015659845 558747991 /nfs/dbraw/zinc/74/79/91/558747991.db2.gz FTKSAPYNYFBPPM-ZROIWOOFSA-N -1 0 404.239 3.116 50 10 HGCARM COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)o1 ZINC000015769778 558752415 /nfs/dbraw/zinc/75/24/15/558752415.db2.gz ZJEUMLDLFUGARS-SFQUDFHCSA-N -1 0 405.366 3.325 50 10 HGCARM COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)cc1 ZINC000004817252 560875882 /nfs/dbraw/zinc/87/58/82/560875882.db2.gz WFHKXEQHWBWHMD-RGEXLXHISA-N -1 0 407.495 3.127 50 10 HGCARM COc1cc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)ccc1O ZINC000001452163 568986595 /nfs/dbraw/zinc/98/65/95/568986595.db2.gz RYBBZFHEKOTILB-AAGJOFLKSA-N -1 0 401.465 3.428 50 10 HGCARM O=C([O-])CN1C(=O)/C(=C\c2cc(Br)ccc2OC(F)F)SC1=S ZINC000013351938 569255209 /nfs/dbraw/zinc/25/52/09/569255209.db2.gz VKPOKVASDSPBNW-RUDMXATFSA-N -1 0 424.244 3.336 50 10 HGCARM CCC(=O)Nc1ccccc1NC=C1C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O ZINC000009089665 571220256 /nfs/dbraw/zinc/22/02/56/571220256.db2.gz OEAXJONGKNFQJT-PEZBUJJGSA-N -1 0 410.474 3.300 50 10 HGCARM CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)cc2)SC1=S ZINC000009216120 571237371 /nfs/dbraw/zinc/23/73/71/571237371.db2.gz IWAOXWKLBARIJM-OVCLIPMQSA-N -1 0 414.464 3.174 50 10 HGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccnc1 ZINC000009010564 132227913 /nfs/dbraw/zinc/22/79/13/132227913.db2.gz CYOJNHOACHFSIJ-VXLYETTFSA-N -1 0 404.401 3.295 50 10 HGCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000002292703 132251747 /nfs/dbraw/zinc/25/17/47/132251747.db2.gz OZWJTAQRJKMYNQ-MHWRWJLKSA-N -1 0 414.874 3.042 50 10 HGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c1 ZINC000004064062 132270840 /nfs/dbraw/zinc/27/08/40/132270840.db2.gz PSJCMMIUBKEUQJ-OQLLNIDSSA-N -1 0 410.386 3.176 50 10 HGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Br)s1 ZINC000009259183 132337683 /nfs/dbraw/zinc/33/76/83/132337683.db2.gz NGDCVTHTWJMULI-VQHVLOKHSA-N -1 0 411.277 3.481 50 10 HGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(C(N)=O)cc4)o3)C2=O)cc1C ZINC000032099660 524988194 /nfs/dbraw/zinc/98/81/94/524988194.db2.gz NTXFGTVKGLSJDV-UNOMPAQXSA-N -1 0 401.422 3.124 50 10 HGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000000753608 536596962 /nfs/dbraw/zinc/59/69/62/536596962.db2.gz JDKRDDMCWLFWQA-OQLLNIDSSA-N -1 0 402.859 3.189 50 10 HGCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000002381751 557342230 /nfs/dbraw/zinc/34/22/30/557342230.db2.gz BIUFBZZZQKVFRJ-DFSFMLJYSA-N -1 0 414.464 3.492 50 10 HGCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000002381749 557342341 /nfs/dbraw/zinc/34/23/41/557342341.db2.gz URSGPXOBQKRWAO-DFSFMLJYSA-N -1 0 414.464 3.492 50 10 HGCARM COc1ccc(OC)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000013546646 558538024 /nfs/dbraw/zinc/53/80/24/558538024.db2.gz WDSBHYHZPZKTOS-DHDCSXOGSA-N -1 0 400.818 3.332 50 10 HGCARM CC(C)(C)C1(C)OC(=O)C(=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)O1 ZINC000004508811 558622946 /nfs/dbraw/zinc/62/29/46/558622946.db2.gz IKVQDMQKVSAVDR-UHFFFAOYSA-N -1 0 414.208 3.309 50 10 HGCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S ZINC000026771421 558665022 /nfs/dbraw/zinc/66/50/22/558665022.db2.gz BIUFBZZZQKVFRJ-YLQKULKDSA-N -1 0 414.464 3.492 50 10 HGCARM CCOc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000015659688 558747797 /nfs/dbraw/zinc/74/77/97/558747797.db2.gz UJSOKXDFFXYFAB-ZROIWOOFSA-N -1 0 417.259 3.318 50 10 HGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3cccc(F)c3)C2=O)cc1 ZINC000004704227 558913484 /nfs/dbraw/zinc/91/34/84/558913484.db2.gz SKMDYQCOUXRDCL-UYRXBGFRSA-N -1 0 405.385 3.291 50 10 HGCARM COc1cccc(/C=C2\SC(=S)N([C@H](CCSC)C(=O)[O-])C2=O)c1OC ZINC000005498854 560598285 /nfs/dbraw/zinc/59/82/85/560598285.db2.gz UIPQQYKDHTVJKV-NASPGAHYSA-N -1 0 413.542 3.111 50 10 HGCARM COC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)o2)cc1 ZINC000017195703 560703394 /nfs/dbraw/zinc/70/33/94/560703394.db2.gz OEKDGEOKAQDXMB-GZTJUZNOSA-N -1 0 420.377 3.193 50 10 HGCARM COc1cccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c1O ZINC000102731327 560822447 /nfs/dbraw/zinc/82/24/47/560822447.db2.gz QTHGDONZKVGCNF-KCZVDYSFSA-N -1 0 416.433 3.452 50 10 HGCARM O=C1C[C@H](c2ccco2)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000096221290 568705297 /nfs/dbraw/zinc/70/52/97/568705297.db2.gz IEJALJNGIFBPMB-SNVBAGLBSA-N -1 0 422.345 3.316 50 10 biogenic HGCARM Cc1cc(OCCn2cc(C=C3C(=O)[N-]C(=O)NC3=O)c3ccccc32)ccc1Cl ZINC000001168791 568783482 /nfs/dbraw/zinc/78/34/82/568783482.db2.gz ZZIJPKCVYPWEFU-UHFFFAOYSA-N -1 0 423.856 3.432 50 10 HGCARM CCOc1cc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)[O-])C2=O)ccc1O ZINC000001786480 569053001 /nfs/dbraw/zinc/05/30/01/569053001.db2.gz WBPHXDQRAIJKJY-ZECSTPGPSA-N -1 0 413.542 3.198 50 10 HGCARM