smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(F)cc4)c4ccccc34)c2C1 ZINC000000944110 193988325 /nfs/dbraw/zinc/98/83/25/193988325.db2.gz UIYFXKHSPNNSHV-MRXNPFEDSA-N -1 1 451.563 6.677 50 0 JKAAMM O=C(Nc1ccc(NC(=O)c2ccccc2[O-])cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000001033841 194006558 /nfs/dbraw/zinc/00/65/58/194006558.db2.gz OZDAWFSIHKFUJR-UHFFFAOYSA-N -1 1 453.498 5.868 50 0 JKAAMM Nc1c(-c2n[n-]c(=S)n2Cc2ccccc2)oc2nc(-c3ccccc3)cc(-c3ccco3)c12 ZINC000001035340 194006770 /nfs/dbraw/zinc/00/67/70/194006770.db2.gz FPPSQUQUMZNUAM-UHFFFAOYSA-N -1 1 465.538 6.306 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2csnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001035004 194006908 /nfs/dbraw/zinc/00/69/08/194006908.db2.gz NNBGOFQQXNHHCM-UHFFFAOYSA-N -1 1 453.389 5.044 50 0 JKAAMM CSc1[n-]nc(NC(=O)c2ccc(Cl)c(Cl)c2)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001037456 194007347 /nfs/dbraw/zinc/00/73/47/194007347.db2.gz FGELNAJPWGIPBW-UHFFFAOYSA-N -1 1 476.794 5.177 50 0 JKAAMM O=C(c1ccccc1)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@@H]1c1ccco1 ZINC000001053069 194010572 /nfs/dbraw/zinc/01/05/72/194010572.db2.gz LBAOCRMKXWCNGC-XMMPIXPASA-N -1 1 471.538 5.072 50 0 JKAAMM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000001044710 194008466 /nfs/dbraw/zinc/00/84/66/194008466.db2.gz VZXTVMJOJATGEN-UHFFFAOYSA-N -1 1 476.520 6.056 50 0 JKAAMM O=C(c1ccccc1)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@H]1c1ccco1 ZINC000001053074 194010682 /nfs/dbraw/zinc/01/06/82/194010682.db2.gz LBAOCRMKXWCNGC-DEOSSOPVSA-N -1 1 471.538 5.072 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1 ZINC000001063287 194012903 /nfs/dbraw/zinc/01/29/03/194012903.db2.gz JCCYXCLXDOSUOF-UHFFFAOYSA-N -1 1 470.594 5.638 50 0 JKAAMM COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c1)CCCC2 ZINC000001063628 194013186 /nfs/dbraw/zinc/01/31/86/194013186.db2.gz PCKAVDWEWDCYHR-UHFFFAOYSA-N -1 1 498.626 5.083 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)Nc1cccc(Cl)c1 ZINC000001064894 194013645 /nfs/dbraw/zinc/01/36/45/194013645.db2.gz IZYIAWVQCMGSIZ-UHFFFAOYSA-N -1 1 451.935 5.938 50 0 JKAAMM CSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)n1 ZINC000001070364 194015873 /nfs/dbraw/zinc/01/58/73/194015873.db2.gz DAWWXRSZPJMJBJ-UHFFFAOYSA-N -1 1 452.923 5.411 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2C)c1C ZINC000001072623 194016576 /nfs/dbraw/zinc/01/65/76/194016576.db2.gz JBWMPSOMOBSBBL-UHFFFAOYSA-N -1 1 473.392 5.427 50 0 JKAAMM O=C(CSCc1ccccc1Br)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000001098533 194023684 /nfs/dbraw/zinc/02/36/84/194023684.db2.gz BZARYCCUGNOAAY-UHFFFAOYSA-N -1 1 491.432 5.122 50 0 JKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c(C)c1 ZINC000001111099 194027488 /nfs/dbraw/zinc/02/74/88/194027488.db2.gz DUKNXFDZJDBPQF-UHFFFAOYSA-N -1 1 462.493 5.684 50 0 JKAAMM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)c1 ZINC000001078205 194019298 /nfs/dbraw/zinc/01/92/98/194019298.db2.gz RTWAZOPUTOFASJ-UHFFFAOYSA-N -1 1 466.584 5.058 50 0 JKAAMM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000001078618 194019412 /nfs/dbraw/zinc/01/94/12/194019412.db2.gz TWHLLYRPZAWDTM-UHFFFAOYSA-N -1 1 468.884 5.720 50 0 JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)c(C)c1 ZINC000001146741 194048383 /nfs/dbraw/zinc/04/83/83/194048383.db2.gz FBFUDOCAIDVSRD-UHFFFAOYSA-N -1 1 479.023 5.175 50 0 JKAAMM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000001147372 194048689 /nfs/dbraw/zinc/04/86/89/194048689.db2.gz KUNWXSUAEAQRMJ-LJQANCHMSA-N -1 1 476.623 5.901 50 0 JKAAMM Cc1ccc(N2C(=O)[N-]C(=O)[C@](CCc3ccccn3)(Cc3cccc(Cl)c3Cl)C2=O)cc1 ZINC000001131724 194039654 /nfs/dbraw/zinc/03/96/54/194039654.db2.gz XUHOHQAVMURDHW-VWLOTQADSA-N -1 1 482.367 5.982 50 0 JKAAMM COc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001133916 194040691 /nfs/dbraw/zinc/04/06/91/194040691.db2.gz WQMBXPQOKCZWMN-UHFFFAOYSA-N -1 1 451.331 5.055 50 0 JKAAMM O=C1CCCc2oc3c(cc([N-]S(=O)(=O)c4ccc(Br)cc4)c4ccccc34)c21 ZINC000001200637 194068573 /nfs/dbraw/zinc/06/85/73/194068573.db2.gz HJSLLIYFRAJNSO-UHFFFAOYSA-N -1 1 470.344 5.668 50 0 JKAAMM CCOC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5o4)c([O-])c3)o2)cc1 ZINC000001207475 194070309 /nfs/dbraw/zinc/07/03/09/194070309.db2.gz ZSGFNWXCOVAXRF-UHFFFAOYSA-N -1 1 468.465 5.889 50 0 JKAAMM CCOc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc(OCC)c1OCC ZINC000001207199 194070372 /nfs/dbraw/zinc/07/03/72/194070372.db2.gz YFNPBPJHWQOMEL-UHFFFAOYSA-N -1 1 462.502 5.649 50 0 JKAAMM CC(C)(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001277856 194081399 /nfs/dbraw/zinc/08/13/99/194081399.db2.gz JQIQZZULVDDAMS-MHZLTWQESA-N -1 1 474.601 6.641 50 0 JKAAMM CCCc1oc2c(cc([N-]S(=O)(=O)c3ccc(F)cc3)c3ccccc23)c1C(=O)OCC ZINC000001405403 194115752 /nfs/dbraw/zinc/11/57/52/194115752.db2.gz PWGAOJJTSMWTCR-UHFFFAOYSA-N -1 1 455.507 5.655 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000001406197 194115778 /nfs/dbraw/zinc/11/57/78/194115778.db2.gz HRQLVDAOCPCJAO-UHFFFAOYSA-N -1 1 481.426 5.833 50 0 JKAAMM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001750361 194134149 /nfs/dbraw/zinc/13/41/49/194134149.db2.gz IYYCRXVIECFMLV-SANMLTNESA-N -1 1 487.508 5.022 50 0 biogenic JKAAMM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000001750361 194134151 /nfs/dbraw/zinc/13/41/51/194134151.db2.gz IYYCRXVIECFMLV-SANMLTNESA-N -1 1 487.508 5.022 50 0 biogenic JKAAMM COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc21 ZINC000002955555 194179416 /nfs/dbraw/zinc/17/94/16/194179416.db2.gz NHKUVAPRQNPVIJ-UHFFFAOYSA-N -1 1 473.934 5.152 50 0 JKAAMM COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000002936300 194174051 /nfs/dbraw/zinc/17/40/51/194174051.db2.gz AKNUSCAJFLTWFO-UHFFFAOYSA-N -1 1 455.333 5.692 50 0 JKAAMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1cc(Br)ccc1Cl ZINC000003002455 194199657 /nfs/dbraw/zinc/19/96/57/194199657.db2.gz OBDRLUTWXQUDJW-UHFFFAOYSA-N -1 1 459.752 6.337 50 0 JKAAMM COc1ccc(Cl)cc1-n1c2nc(SCc3ccccc3C)[n-]c(=O)c2sc1=S ZINC000003034153 194213770 /nfs/dbraw/zinc/21/37/70/194213770.db2.gz VSRDZTSGEHZULZ-UHFFFAOYSA-N -1 1 462.021 5.768 50 0 JKAAMM COc1ccc(Cl)cc1-n1c2nc(SCc3ccc(F)cc3)[n-]c(=O)c2sc1=S ZINC000003043156 194215940 /nfs/dbraw/zinc/21/59/40/194215940.db2.gz ZLPSQILCCPFZGQ-UHFFFAOYSA-N -1 1 465.984 5.598 50 0 JKAAMM O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000003213077 194239852 /nfs/dbraw/zinc/23/98/52/194239852.db2.gz VMAQMUOFIIPLSA-UHFFFAOYSA-N -1 1 489.302 6.065 50 0 JKAAMM CC(C)CN(CC(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000003226317 194244192 /nfs/dbraw/zinc/24/41/92/194244192.db2.gz JNLKRWXQJFYOPH-UHFFFAOYSA-N -1 1 490.975 5.914 50 0 JKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc21 ZINC000003246080 194250374 /nfs/dbraw/zinc/25/03/74/194250374.db2.gz YDAZWIPCXYTFSJ-UHFFFAOYSA-N -1 1 465.571 6.169 50 0 JKAAMM CCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc21 ZINC000003246088 194250400 /nfs/dbraw/zinc/25/04/00/194250400.db2.gz JDSWRXALCYSHLE-UHFFFAOYSA-N -1 1 493.625 7.166 50 0 JKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(C)c(C)cc1C)c1ccccc21 ZINC000003254739 194252905 /nfs/dbraw/zinc/25/29/05/194252905.db2.gz OLBLFCMIWJFROC-UHFFFAOYSA-N -1 1 451.544 5.797 50 0 JKAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)cc2C)cc1 ZINC000003336661 194288399 /nfs/dbraw/zinc/28/83/99/194288399.db2.gz HGAJSFFOKDMJNF-UHFFFAOYSA-N -1 1 454.567 5.793 50 0 JKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc21 ZINC000003368319 194304228 /nfs/dbraw/zinc/30/42/28/194304228.db2.gz HTPLRHFYIIXVRI-UHFFFAOYSA-N -1 1 451.544 5.995 50 0 JKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc23)c1C(=O)OC(C)C ZINC000003368304 194304286 /nfs/dbraw/zinc/30/42/86/194304286.db2.gz PMHXLKJKLWYQAR-UHFFFAOYSA-N -1 1 465.571 6.186 50 0 JKAAMM CCCc1oc2c(cc([N-]S(=O)(=O)c3ccc(OCC)cc3)c3ccccc23)c1C(=O)OCC ZINC000003368356 194304642 /nfs/dbraw/zinc/30/46/42/194304642.db2.gz GUIMKLRBGWNPPE-UHFFFAOYSA-N -1 1 481.570 5.915 50 0 JKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)ccc2oc1-c1ccccc1 ZINC000003368483 194304669 /nfs/dbraw/zinc/30/46/69/194304669.db2.gz KUXZGURGGMTZPK-UHFFFAOYSA-N -1 1 463.555 6.201 50 0 JKAAMM CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000008994688 194499421 /nfs/dbraw/zinc/49/94/21/194499421.db2.gz NRWUNHPSTZLBHP-UHFFFAOYSA-N -1 1 498.366 6.508 50 0 JKAAMM CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000009415371 194761798 /nfs/dbraw/zinc/76/17/98/194761798.db2.gz BVFOZWWHNLLZAH-LJQANCHMSA-N -1 1 467.978 5.110 50 0 JKAAMM Cc1csc(SCc2ccccc2C(=O)OCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000009958879 195037634 /nfs/dbraw/zinc/03/76/34/195037634.db2.gz RNMXUWZRYRHZEB-UHFFFAOYSA-N -1 1 495.607 5.659 50 0 JKAAMM Cc1ccc(C)c(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000012741033 195100904 /nfs/dbraw/zinc/10/09/04/195100904.db2.gz JLUWHWHNCZHULX-UHFFFAOYSA-N -1 1 463.386 5.592 50 0 JKAAMM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012764643 195112795 /nfs/dbraw/zinc/11/27/95/195112795.db2.gz ZMSWXABSMNDGIQ-OAHLLOKOSA-N -1 1 486.018 5.584 50 0 JKAAMM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020714095 195205881 /nfs/dbraw/zinc/20/58/81/195205881.db2.gz GXNCJWSTDKKJAO-SANMLTNESA-N -1 1 459.977 5.354 50 0 JKAAMM O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000020722442 195206722 /nfs/dbraw/zinc/20/67/22/195206722.db2.gz BKORCBPCOSCNAL-VWLOTQADSA-N -1 1 486.959 5.449 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020849953 195230817 /nfs/dbraw/zinc/23/08/17/195230817.db2.gz FVTITBKFPBYJAD-CLJLJLNGSA-N -1 1 496.636 5.790 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])cc1F ZINC000020903864 195243639 /nfs/dbraw/zinc/24/36/39/195243639.db2.gz YPXHGRLKXNXJGY-RBBKRZOGSA-N -1 1 492.601 5.374 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903586 195243836 /nfs/dbraw/zinc/24/38/36/195243836.db2.gz HYMJGNVSDVYDNA-ZEQRLZLVSA-N -1 1 486.572 5.312 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000020903596 195243901 /nfs/dbraw/zinc/24/39/01/195243901.db2.gz INXQAOMLGUOLHB-XZOQPEGZSA-N -1 1 490.535 5.143 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903582 195243908 /nfs/dbraw/zinc/24/39/08/195243908.db2.gz HYMJGNVSDVYDNA-RPWUZVMVSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020904070 195244293 /nfs/dbraw/zinc/24/42/93/195244293.db2.gz FAEVDRSJQNQACI-ZEQRLZLVSA-N -1 1 486.572 5.312 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccccc1F ZINC000020903913 195244419 /nfs/dbraw/zinc/24/44/19/195244419.db2.gz JALQZWMSNWLTDA-PZJWPPBQSA-N -1 1 478.574 5.065 50 0 JKAAMM O=c1oc2ccccc2c(NC2CCCCC2)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000021034475 195270032 /nfs/dbraw/zinc/27/00/32/195270032.db2.gz QGPUSFBQBKVASI-UHFFFAOYSA-N -1 1 483.409 5.162 50 0 JKAAMM CC(C)Oc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)cc1 ZINC000021784739 195321240 /nfs/dbraw/zinc/32/12/40/195321240.db2.gz PIIHVGMNJDGJBU-GOSISDBHSA-N -1 1 455.967 5.389 50 0 JKAAMM CC(C)(C)C(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000015913376 518591279 /nfs/dbraw/zinc/59/12/79/518591279.db2.gz BSGJNODAYNEVLF-UHFFFAOYSA-N -1 1 469.529 5.091 50 0 JKAAMM CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccc(OS(=O)(=O)c5ccccc5)cc4)[n-]c(=O)c23)C1 ZINC000008442239 518980007 /nfs/dbraw/zinc/98/00/07/518980007.db2.gz VZMNFXJEZINPKD-KRWDZBQOSA-N -1 1 494.638 5.570 50 0 JKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)cc1 ZINC000033115453 519045853 /nfs/dbraw/zinc/04/58/53/519045853.db2.gz JYWGQEHGNSHKGM-UHFFFAOYSA-N -1 1 476.642 5.175 50 0 JKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)cc1 ZINC000033274534 519046579 /nfs/dbraw/zinc/04/65/79/519046579.db2.gz HSYKVTCAHSMBGJ-UHFFFAOYSA-N -1 1 462.615 5.133 50 0 JKAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2C)cc1Cl ZINC000033289281 519731813 /nfs/dbraw/zinc/73/18/13/519731813.db2.gz ADVZRUKHQHXNED-UHFFFAOYSA-N -1 1 471.991 5.684 50 0 JKAAMM CC(=O)Nc1cccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)no2)c1C ZINC000033276483 519735191 /nfs/dbraw/zinc/73/51/91/519735191.db2.gz TUXBOYPNLNAPQM-UHFFFAOYSA-N -1 1 482.949 5.125 50 0 JKAAMM CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000021784527 519784886 /nfs/dbraw/zinc/78/48/86/519784886.db2.gz GMGMGBYDLBYJKZ-KRWDZBQOSA-N -1 1 455.967 5.389 50 0 JKAAMM CCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)nc1 ZINC000033138535 519900524 /nfs/dbraw/zinc/90/05/24/519900524.db2.gz BIEAFSWGPRKHCK-UHFFFAOYSA-N -1 1 469.632 5.297 50 0 JKAAMM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(C)c(C)c4)ccc3n2C)cc1 ZINC000033277023 520546565 /nfs/dbraw/zinc/54/65/65/520546565.db2.gz GPIBGCCILKEMGS-UHFFFAOYSA-N -1 1 490.629 5.140 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2oc3ccccc3c2C(=O)c2ccc(C)c(F)c2)n1 ZINC000016742467 520569603 /nfs/dbraw/zinc/56/96/03/520569603.db2.gz CFZYPEYYFVLCTI-UHFFFAOYSA-N -1 1 483.952 6.309 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2oc3ccccc3c2C(=O)c2ccc(F)cc2)n1 ZINC000016742468 520570206 /nfs/dbraw/zinc/57/02/06/520570206.db2.gz ZVXUNTIUUHBVKK-UHFFFAOYSA-N -1 1 469.925 6.001 50 0 JKAAMM 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CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc([O-])cc3O)n2C2CCCC2)cc1 ZINC000003295070 554445778 /nfs/dbraw/zinc/44/57/78/554445778.db2.gz IYCCTDDNPAGCIG-UHFFFAOYSA-N -1 1 451.592 5.744 50 0 JKAAMM Cc1ccc2nc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(Cl)c(Cl)c4)cc3)sc2c1 ZINC000003306268 554448402 /nfs/dbraw/zinc/44/84/02/554448402.db2.gz ORBDHWRGXVDXLH-UHFFFAOYSA-N -1 1 492.409 5.965 50 0 JKAAMM CC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)nc1-c1ccccc1 ZINC000003307236 554448425 /nfs/dbraw/zinc/44/84/25/554448425.db2.gz TVOKJMWTQGAPCG-UHFFFAOYSA-N -1 1 491.594 5.374 50 0 JKAAMM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000003316269 554449696 /nfs/dbraw/zinc/44/96/96/554449696.db2.gz DVEAIWYZOIJDND-UHFFFAOYSA-N -1 1 481.426 5.915 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCc3cc(=O)oc4c(C)c(C)ccc34)cc2)cc1C ZINC000003347413 554455557 /nfs/dbraw/zinc/45/55/57/554455557.db2.gz QFMAZUSQYALDIV-UHFFFAOYSA-N -1 1 491.565 5.184 50 0 JKAAMM CCc1cc2c(COC(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc43)cc(=O)oc2cc1[O-] ZINC000003426302 554462987 /nfs/dbraw/zinc/46/29/87/554462987.db2.gz YYUBUQOCFOYEKR-UHFFFAOYSA-N -1 1 491.952 6.348 50 0 JKAAMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc5ccccc54)cc3[O-])nc2c1 ZINC000004090594 554473200 /nfs/dbraw/zinc/47/32/00/554473200.db2.gz PDKJEHSONWHIEE-UHFFFAOYSA-N -1 1 453.523 5.789 50 0 JKAAMM CCC(C)(C)[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3c2C1 ZINC000006023461 554500154 /nfs/dbraw/zinc/50/01/54/554500154.db2.gz STBWAVKLQCMMBU-LJQANCHMSA-N -1 1 453.648 7.072 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@H](C(C)(C)C)C4)c(C)c1 ZINC000006023358 554500180 /nfs/dbraw/zinc/50/01/80/554500180.db2.gz ZSQAXQUXQLGZJI-IBGZPJMESA-N -1 1 461.627 7.155 50 0 JKAAMM CCC(C)(C)[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(F)cc4)c4ccccc34)c2C1 ZINC000006023449 554500271 /nfs/dbraw/zinc/50/02/71/554500271.db2.gz XWADUJXAAKZRLW-QGZVFWFLSA-N -1 1 465.590 7.067 50 0 JKAAMM 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CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc21 ZINC000008439236 554590596 /nfs/dbraw/zinc/59/05/96/554590596.db2.gz ALDLVVSINMBQSI-UHFFFAOYSA-N -1 1 479.598 6.577 50 0 JKAAMM CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc21 ZINC000008439239 554590632 /nfs/dbraw/zinc/59/06/32/554590632.db2.gz LMIUJODGHKCEFB-UHFFFAOYSA-N -1 1 493.625 6.950 50 0 JKAAMM CCCc1oc2c(cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccccc23)c1C(=O)OCC ZINC000008439222 554590644 /nfs/dbraw/zinc/59/06/44/554590644.db2.gz OEEDTWNQJQNUFF-UHFFFAOYSA-N -1 1 493.625 6.814 50 0 JKAAMM O=C(Nc1ccc2oc(-c3cc(NC(=O)C4CCCCC4)ccc3[O-])nc2c1)C1CCCCC1 ZINC000008456750 554600493 /nfs/dbraw/zinc/60/04/93/554600493.db2.gz CUVUKXUUIXMENP-UHFFFAOYSA-N -1 1 461.562 6.238 50 0 JKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)cc2Br ZINC000008765705 554666487 /nfs/dbraw/zinc/66/64/87/554666487.db2.gz FHWCDKJCYOEJPZ-UHFFFAOYSA-N -1 1 472.744 5.135 50 0 JKAAMM O=C1CCCc2oc3c(cc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3Br)c21 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450.303 5.528 50 0 JKAAMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc2c(c1)OCO2 ZINC000009116205 554903743 /nfs/dbraw/zinc/90/37/43/554903743.db2.gz TXOVAYPFVDQHOS-CYBMUJFWSA-N -1 1 493.368 5.014 50 0 JKAAMM COc1ccc(-c2cncnc2-c2ccc(OCc3c(Cl)cccc3Cl)cc2[O-])cc1 ZINC000009129616 554928068 /nfs/dbraw/zinc/92/80/68/554928068.db2.gz RJBYVSZDACPCKE-UHFFFAOYSA-N -1 1 453.325 6.411 50 0 JKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccccc4C)cc3[O-])nc(N)nc2C(F)(F)F)cc1 ZINC000009129781 554928298 /nfs/dbraw/zinc/92/82/98/554928298.db2.gz HEPHIUAWEZVVDD-UHFFFAOYSA-N -1 1 481.474 6.013 50 0 JKAAMM C=Cc1ccc(COc2ccc(-c3nc(N)nc(C(F)(F)F)c3-c3ccc(OC)cc3)c([O-])c2)cc1 ZINC000009129841 554928530 /nfs/dbraw/zinc/92/85/30/554928530.db2.gz BCINYDWJTFHOFU-UHFFFAOYSA-N -1 1 493.485 6.348 50 0 JKAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3c(Cl)cccc3Cl)cc2[O-])cc1 ZINC000009129980 554928806 /nfs/dbraw/zinc/92/88/06/554928806.db2.gz CWOGSMCNPZKQJT-UHFFFAOYSA-N -1 1 468.340 5.993 50 0 JKAAMM 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/nfs/dbraw/zinc/67/83/43/555678343.db2.gz WUVIEMVOVUIYOI-SFHVURJKSA-N -1 1 475.412 5.036 50 0 JKAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOCCOc1ccc(C)cc1 ZINC000020175674 555681570 /nfs/dbraw/zinc/68/15/70/555681570.db2.gz AIOMFSCFXNTNKH-XSFVSMFZSA-N -1 1 494.034 5.851 50 0 JKAAMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c(C)c1C ZINC000020293927 555762679 /nfs/dbraw/zinc/76/26/79/555762679.db2.gz BWGOKKDETWQCMW-UHFFFAOYSA-N -1 1 498.670 5.171 50 0 JKAAMM CCCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)n1 ZINC000011443271 555780877 /nfs/dbraw/zinc/78/08/77/555780877.db2.gz FBGGNNMJIVACOZ-UHFFFAOYSA-N -1 1 463.028 5.838 50 0 JKAAMM O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)c1ccc([O-])cc1O ZINC000014356733 555795975 /nfs/dbraw/zinc/79/59/75/555795975.db2.gz VILGDCWCYJNDBI-UHFFFAOYSA-N -1 1 458.461 5.490 50 0 JKAAMM Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)c1ccc([O-])cc1O ZINC000014357424 555796696 /nfs/dbraw/zinc/79/66/96/555796696.db2.gz NUARQPVJKATBJR-UHFFFAOYSA-N -1 1 450.947 5.887 50 0 JKAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccc(Br)cc1 ZINC000020554885 555807860 /nfs/dbraw/zinc/80/78/60/555807860.db2.gz ALBAFGGKKIBVHZ-UHFFFAOYSA-N -1 1 487.423 5.087 50 0 JKAAMM C[C@H]1CCc2c(C(=O)Nn3c(=O)c4c([n-]c3=S)sc3c4CCCCCC3)csc2C1 ZINC000020562826 555814493 /nfs/dbraw/zinc/81/44/93/555814493.db2.gz SRFOYHNUVSPRMP-LBPRGKRZSA-N -1 1 459.662 5.350 50 0 JKAAMM COc1ccc(CNc2cc(C(=O)NC3CCCC3)cc(S(=O)(=O)[N-]c3ccccc3)c2)cc1C ZINC000014533591 555821949 /nfs/dbraw/zinc/82/19/49/555821949.db2.gz FKRKFEFZFQAZKY-UHFFFAOYSA-N -1 1 493.629 5.089 50 0 JKAAMM CC(C)Oc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000011855249 555836948 /nfs/dbraw/zinc/83/69/48/555836948.db2.gz KPJCXPUSWNLGOR-UHFFFAOYSA-N -1 1 497.580 5.391 50 0 JKAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2cc(Cl)ccc2Cl)n1 ZINC000011855582 555837003 /nfs/dbraw/zinc/83/70/03/555837003.db2.gz VPKAPWKPRFIJMB-UHFFFAOYSA-N -1 1 474.373 5.367 50 0 JKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccccc3F)cc2[O-])ncnc1C(F)(F)F ZINC000011866302 555841417 /nfs/dbraw/zinc/84/14/17/555841417.db2.gz SLNCDDOTENKDGE-UHFFFAOYSA-N -1 1 470.422 6.262 50 0 JKAAMM Nc1nc(-c2ccc(OCc3ccccc3F)cc2[O-])c(-c2ccccc2)c(C(F)(F)F)n1 ZINC000011866326 555841484 /nfs/dbraw/zinc/84/14/84/555841484.db2.gz RYQJOKZKOYTKSW-UHFFFAOYSA-N -1 1 455.411 5.835 50 0 JKAAMM COc1ccccc1-c1cncnc1-c1ccc(OCc2c(Cl)cccc2Cl)cc1[O-] ZINC000011866345 555841877 /nfs/dbraw/zinc/84/18/77/555841877.db2.gz PANZOGAZCLWQSL-UHFFFAOYSA-N -1 1 453.325 6.411 50 0 JKAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000020604372 555845272 /nfs/dbraw/zinc/84/52/72/555845272.db2.gz FLZKPZMAPQTXFY-UHFFFAOYSA-N -1 1 494.514 5.483 50 0 JKAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000012007889 555883907 /nfs/dbraw/zinc/88/39/07/555883907.db2.gz YEMUSPNJPBIGKL-UHFFFAOYSA-N -1 1 491.979 5.443 50 0 JKAAMM CCCCOc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000012009137 555884092 /nfs/dbraw/zinc/88/40/92/555884092.db2.gz JGQZVBVOCBMDMD-UHFFFAOYSA-N -1 1 495.539 5.314 50 0 JKAAMM CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)[n-]c1=O ZINC000012008851 555884127 /nfs/dbraw/zinc/88/41/27/555884127.db2.gz YIMBUAVCRRNCAH-UHFFFAOYSA-N -1 1 491.979 5.190 50 0 JKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3ccc(C)cc3C)[n-]2)cc1 ZINC000012112531 555909362 /nfs/dbraw/zinc/90/93/62/555909362.db2.gz WIKAXHJPGKPGDA-UHFFFAOYSA-N -1 1 491.638 5.566 50 0 JKAAMM Cc1ccccc1NC(=O)CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1 ZINC000015669755 555924477 /nfs/dbraw/zinc/92/44/77/555924477.db2.gz VYHIKOLZUORXIK-UHFFFAOYSA-N -1 1 469.613 5.136 50 0 JKAAMM Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000012311908 555950536 /nfs/dbraw/zinc/95/05/36/555950536.db2.gz GTUKASJLFPRAAD-UHFFFAOYSA-N -1 1 459.011 5.604 50 0 JKAAMM O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000015723410 555958409 /nfs/dbraw/zinc/95/84/09/555958409.db2.gz YYPPRESMCKYEKA-UHFFFAOYSA-N -1 1 475.298 6.475 50 0 JKAAMM CCCC[C@@H](CC)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000012523939 555993451 /nfs/dbraw/zinc/99/34/51/555993451.db2.gz CQSQVKAFVQICJQ-MRXNPFEDSA-N -1 1 456.530 5.452 50 0 JKAAMM CSc1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])c1 ZINC000022993252 555996020 /nfs/dbraw/zinc/99/60/20/555996020.db2.gz BICVWMGVCPISSU-UHFFFAOYSA-N -1 1 483.398 5.474 50 0 JKAAMM O=S(=O)([N-]c1cccc(-c2ccc(C(F)(F)F)cn2)c1)c1ccc(Br)cc1 ZINC000022996416 555996284 /nfs/dbraw/zinc/99/62/84/555996284.db2.gz XTVSPTQIPXBXQC-UHFFFAOYSA-N -1 1 457.271 5.331 50 0 JKAAMM O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000012537480 556010524 /nfs/dbraw/zinc/01/05/24/556010524.db2.gz SBUAZDJFWIVJAX-UHFFFAOYSA-N -1 1 468.884 5.341 50 0 JKAAMM O=C(Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc2s1)C1CCCCC1 ZINC000015870244 556050058 /nfs/dbraw/zinc/05/00/58/556050058.db2.gz HJXWGSUEFMXJGY-UHFFFAOYSA-N -1 1 467.975 5.408 50 0 JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1C ZINC000015870274 556050063 /nfs/dbraw/zinc/05/00/63/556050063.db2.gz LJRIBTLMRWKRIE-UHFFFAOYSA-N -1 1 457.621 5.541 50 0 JKAAMM CCn1c(CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)nc2ccccc21 ZINC000015870592 556050359 /nfs/dbraw/zinc/05/03/59/556050359.db2.gz KEQNWFQWSLQMRB-UHFFFAOYSA-N -1 1 457.958 5.435 50 0 JKAAMM Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000015870504 556050372 /nfs/dbraw/zinc/05/03/72/556050372.db2.gz ZOXIPVCCVFZIGC-UHFFFAOYSA-N -1 1 459.493 5.178 50 0 JKAAMM CCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000015870617 556050449 /nfs/dbraw/zinc/05/04/49/556050449.db2.gz NAXQOAVZHNVXRR-UHFFFAOYSA-N -1 1 453.995 5.604 50 0 JKAAMM O=S(=O)([N-]c1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1cccc(Cl)c1 ZINC000015870819 556051357 /nfs/dbraw/zinc/05/13/57/556051357.db2.gz NDNGXRFFHFJFQP-UHFFFAOYSA-N -1 1 488.012 6.265 50 0 JKAAMM O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000012564340 556060022 /nfs/dbraw/zinc/06/00/22/556060022.db2.gz CQGVIPZRUOCTAZ-UHFFFAOYSA-N -1 1 453.322 5.115 50 0 JKAAMM COc1cccc(/C=C/C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)c1 ZINC000015913341 556066094 /nfs/dbraw/zinc/06/60/94/556066094.db2.gz CYVXGZUKSJXAJC-LFYBBSHMSA-N -1 1 477.369 5.455 50 0 JKAAMM O=C(Nc1cccc(Cl)c1)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000012572944 556073863 /nfs/dbraw/zinc/07/38/63/556073863.db2.gz JCATUZAXIACIOR-UHFFFAOYSA-N -1 1 483.949 6.100 50 0 JKAAMM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000012598755 556089633 /nfs/dbraw/zinc/08/96/33/556089633.db2.gz ASJYMQGKSFFEHZ-UHFFFAOYSA-N -1 1 499.308 5.521 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)c(C)c3)c2)c1 ZINC000012630337 556093382 /nfs/dbraw/zinc/09/33/82/556093382.db2.gz MZAJLXBCEQZGEE-UHFFFAOYSA-N -1 1 459.365 5.119 50 0 JKAAMM CCC[C@@H](Oc1ccc(Br)cc1)c1nn2c([n-]1)c1cc(OC)c(OC)cc1nc2=S ZINC000015962724 556093475 /nfs/dbraw/zinc/09/34/75/556093475.db2.gz TXQUPVHAFRNVNR-MRXNPFEDSA-N -1 1 489.395 5.266 50 0 JKAAMM Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000015981029 556099975 /nfs/dbraw/zinc/09/99/75/556099975.db2.gz JWBBSKGCOONNHI-UHFFFAOYSA-N -1 1 467.349 5.423 50 0 JKAAMM O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000016047948 556126176 /nfs/dbraw/zinc/12/61/76/556126176.db2.gz CNRLPVFEWWWMCV-UHFFFAOYSA-N -1 1 472.975 5.125 50 0 JKAAMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000024546449 556135530 /nfs/dbraw/zinc/13/55/30/556135530.db2.gz MARMYFJQZJJZKU-UHFFFAOYSA-N -1 1 483.899 5.424 50 0 JKAAMM Cc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000024838592 556159658 /nfs/dbraw/zinc/15/96/58/556159658.db2.gz LRVXCVOYTFBABD-UHFFFAOYSA-N -1 1 483.804 5.937 50 0 JKAAMM CC(C)(C)c1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000024969125 556165702 /nfs/dbraw/zinc/16/57/02/556165702.db2.gz GPEYNDDBPQBZDI-UHFFFAOYSA-N -1 1 491.440 6.273 50 0 JKAAMM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC000024986303 556169755 /nfs/dbraw/zinc/16/97/55/556169755.db2.gz ZDLOVKYVBOSHOL-UHFFFAOYSA-N -1 1 463.386 5.592 50 0 JKAAMM COc1ccc(Br)c(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)c1[O-] ZINC000025146185 556184674 /nfs/dbraw/zinc/18/46/74/556184674.db2.gz SZDIVZFNGTVJHO-UHFFFAOYSA-N -1 1 464.237 6.657 50 0 JKAAMM Cc1ccc(CCC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2C)cc1Cl ZINC000012996615 556189348 /nfs/dbraw/zinc/18/93/48/556189348.db2.gz VMQXIOQSALOTAJ-UHFFFAOYSA-N -1 1 477.413 5.982 50 0 JKAAMM Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[n-]2)cc1C ZINC000017052757 556213755 /nfs/dbraw/zinc/21/37/55/556213755.db2.gz PQAPFDCRLPLBMK-UHFFFAOYSA-N -1 1 489.047 5.506 50 0 JKAAMM Cc1cccc(C)c1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000017135771 556223266 /nfs/dbraw/zinc/22/32/66/556223266.db2.gz ZJIWNVNJCCKMRW-UHFFFAOYSA-N -1 1 489.047 5.506 50 0 JKAAMM O=C(Nc1nc(-c2cccs2)cs1)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000017155272 556228423 /nfs/dbraw/zinc/22/84/23/556228423.db2.gz WLLULCJMXGTVTC-UHFFFAOYSA-N -1 1 459.549 5.064 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000017156631 556229427 /nfs/dbraw/zinc/22/94/27/556229427.db2.gz LZLKSJHXLODMMJ-UHFFFAOYSA-N -1 1 480.487 5.093 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000017156639 556229432 /nfs/dbraw/zinc/22/94/32/556229432.db2.gz NPESCGLEVMCSEF-UHFFFAOYSA-N -1 1 494.514 5.483 50 0 JKAAMM Cc1cc(C)cc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000013042387 556249331 /nfs/dbraw/zinc/24/93/31/556249331.db2.gz FLYXUOLAWRPYFB-UHFFFAOYSA-N -1 1 458.967 5.084 50 0 JKAAMM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)nn1 ZINC000017315640 556257690 /nfs/dbraw/zinc/25/76/90/556257690.db2.gz SFKIIQZPGSWMPB-UHFFFAOYSA-N -1 1 491.413 5.381 50 0 JKAAMM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000017888563 556269997 /nfs/dbraw/zinc/26/99/97/556269997.db2.gz MJOIKRDLSPNTGC-DSNGMDLFSA-N -1 1 454.913 5.544 50 0 JKAAMM CC(C)N1C(=O)N(c2cccc(Cl)c2)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000027467285 556279102 /nfs/dbraw/zinc/27/91/02/556279102.db2.gz YDYXRINEIDHZML-GOSISDBHSA-N -1 1 451.354 5.672 50 0 JKAAMM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(F)cc1)c1cc(Br)ccc1Cl ZINC000027528050 556290018 /nfs/dbraw/zinc/29/00/18/556290018.db2.gz HNPIINWZXVDKQK-UHFFFAOYSA-N -1 1 472.701 5.002 50 0 JKAAMM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccccc1F)c1cc(Br)ccc1Cl ZINC000027528419 556290285 /nfs/dbraw/zinc/29/02/85/556290285.db2.gz DCONPZZLDHAUJO-UHFFFAOYSA-N -1 1 472.701 5.002 50 0 JKAAMM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000018188174 556300550 /nfs/dbraw/zinc/30/05/50/556300550.db2.gz RQHFDMPZWSUWKG-DSNGMDLFSA-N -1 1 499.364 5.653 50 0 JKAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1C(F)(F)F ZINC000027737949 556304364 /nfs/dbraw/zinc/30/43/64/556304364.db2.gz DYIZLGODTPAEGC-UHFFFAOYSA-N -1 1 454.857 5.412 50 0 JKAAMM Cc1cccc(-n2c(SCc3cc(=O)oc4cc([O-])ccc34)nnc2-c2c[nH]c3ccccc32)c1 ZINC000013112161 556312112 /nfs/dbraw/zinc/31/21/12/556312112.db2.gz QZWACWUVISKAHW-UHFFFAOYSA-N -1 1 480.549 5.828 50 0 JKAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000028049164 556313878 /nfs/dbraw/zinc/31/38/78/556313878.db2.gz FDBBFABUKXENJX-UHFFFAOYSA-N -1 1 481.643 5.028 50 0 JKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2SC2CCCCC2)n(C)c(=O)n3C)cc1 ZINC000028049224 556314243 /nfs/dbraw/zinc/31/42/43/556314243.db2.gz OVZIFPJBWSBFQB-UHFFFAOYSA-N -1 1 473.664 5.226 50 0 JKAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000028197107 556317302 /nfs/dbraw/zinc/31/73/02/556317302.db2.gz IASBBMUMDNVZMO-UHFFFAOYSA-N -1 1 471.586 5.773 50 0 JKAAMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1 ZINC000013134067 556361278 /nfs/dbraw/zinc/36/12/78/556361278.db2.gz LVQXZZATMVYYFG-UHFFFAOYSA-N -1 1 466.603 5.032 50 0 JKAAMM CCOc1ccc2nc(Sc3ccc(Cl)cc3)c(C=C3C(=O)[N-]C(=S)N3C(C)=O)cc2c1 ZINC000031844631 556408802 /nfs/dbraw/zinc/40/88/02/556408802.db2.gz YDAVRAXHDNTKPG-NDENLUEZSA-N -1 1 484.002 5.042 50 0 JKAAMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(-c4cc(F)ccc4Br)nc3c2)c1 ZINC000032915880 556539624 /nfs/dbraw/zinc/53/96/24/556539624.db2.gz MYZBFQNGAQCLMG-UHFFFAOYSA-N -1 1 489.322 5.400 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1C ZINC000032926308 556543722 /nfs/dbraw/zinc/54/37/22/556543722.db2.gz AVSQVRPHGFXCEO-UHFFFAOYSA-N -1 1 466.456 5.514 50 0 JKAAMM CCc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000032948375 556563663 /nfs/dbraw/zinc/56/36/63/556563663.db2.gz DDCDXWKBVYNRGT-UHFFFAOYSA-N -1 1 489.047 5.451 50 0 JKAAMM Cc1ccc(Cl)cc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[n-]1 ZINC000032948441 556564076 /nfs/dbraw/zinc/56/40/76/556564076.db2.gz GXWHPSFXEHWQOI-UHFFFAOYSA-N -1 1 489.047 5.506 50 0 JKAAMM Cc1ccccc1-n1c2nc(SCc3cccc(C(F)(F)F)c3)[n-]c(=O)c2sc1=S ZINC000032948680 556564683 /nfs/dbraw/zinc/56/46/83/556564683.db2.gz CBIRABIPTGWPRL-UHFFFAOYSA-N -1 1 465.547 6.124 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595441 562943823 /nfs/dbraw/zinc/94/38/23/562943823.db2.gz JGPZTZQLLCHNPC-DEOSSOPVSA-N -1 1 489.553 5.082 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595441 562943825 /nfs/dbraw/zinc/94/38/25/562943825.db2.gz JGPZTZQLLCHNPC-DEOSSOPVSA-N -1 1 489.553 5.082 50 0 JKAAMM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1Cl ZINC000032971202 569603706 /nfs/dbraw/zinc/60/37/06/569603706.db2.gz UXJARVCVVVEBGO-UHFFFAOYSA-N -1 1 472.994 5.646 50 0 JKAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1)N1CCCCCC1 ZINC000062590031 569612345 /nfs/dbraw/zinc/61/23/45/569612345.db2.gz JBFKWUUUAFEQSD-UHFFFAOYSA-N -1 1 475.920 5.568 50 0 JKAAMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007818 569615591 /nfs/dbraw/zinc/61/55/91/569615591.db2.gz BJDZRGNIQUQLKX-UHFFFAOYSA-N -1 1 457.964 5.311 50 0 JKAAMM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007820 569615601 /nfs/dbraw/zinc/61/56/01/569615601.db2.gz VSFGJXWWSIXZTP-UHFFFAOYSA-N -1 1 479.627 5.955 50 0 JKAAMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007830 569615626 /nfs/dbraw/zinc/61/56/26/569615626.db2.gz FRUIYXCDPXSVQH-UHFFFAOYSA-N -1 1 475.954 5.450 50 0 JKAAMM COc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008002 569615817 /nfs/dbraw/zinc/61/58/17/569615817.db2.gz GXOCWRIYCSXQPT-UHFFFAOYSA-N -1 1 481.599 5.481 50 0 JKAAMM CCOc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000064558220 569618550 /nfs/dbraw/zinc/61/85/50/569618550.db2.gz DKPKSBUNICWMAT-XMMPIXPASA-N -1 1 477.582 5.288 50 0 JKAAMM COc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000064558241 569618567 /nfs/dbraw/zinc/61/85/67/569618567.db2.gz LWSNSCWBDYSXKO-XMMPIXPASA-N -1 1 477.582 5.458 50 0 JKAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Cl ZINC000033169052 569621774 /nfs/dbraw/zinc/62/17/74/569621774.db2.gz MFHJWVUEOSVROJ-UHFFFAOYSA-N -1 1 492.409 6.029 50 0 JKAAMM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(Br)cc2F)c1C ZINC000064845764 569638551 /nfs/dbraw/zinc/63/85/51/569638551.db2.gz PBUAMKJGTZKKOM-UHFFFAOYSA-N -1 1 459.362 5.339 50 0 JKAAMM O=C(CC(=CC(=C1SC(=S)[N-]C1=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000033887288 569637081 /nfs/dbraw/zinc/63/70/81/569637081.db2.gz CRSZQINWTRBXRQ-WELATPIXSA-N -1 1 476.022 7.396 50 0 JKAAMM Cc1cc(C)cc(CN2CCCN(c3cccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)c3)C2=O)c1 ZINC000034737686 569654531 /nfs/dbraw/zinc/65/45/31/569654531.db2.gz IPPAARYODAIGIL-UHFFFAOYSA-N -1 1 481.593 5.384 50 0 JKAAMM CCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000065059845 569655006 /nfs/dbraw/zinc/65/50/06/569655006.db2.gz NSWKMJAMFUALRL-UHFFFAOYSA-N -1 1 493.629 5.862 50 0 JKAAMM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)c2)sc1C(=O)N1CCCC1 ZINC000065116948 569666857 /nfs/dbraw/zinc/66/68/57/569666857.db2.gz KBDYIANBMJBOMG-UHFFFAOYSA-N -1 1 482.052 5.179 50 0 JKAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)c1 ZINC000065330962 569675097 /nfs/dbraw/zinc/67/50/97/569675097.db2.gz YDAZUINIXBMPGF-UHFFFAOYSA-N -1 1 460.437 5.219 50 0 JKAAMM Cc1ccc(C(=O)N2CCC[C@H](C(=O)OC(=C([O-])c3cccs3)c3cccs3)C2)cc1 ZINC000065563367 569675901 /nfs/dbraw/zinc/67/59/01/569675901.db2.gz PBUPUTXKPHNVJL-PGRDOPGGSA-N -1 1 453.585 5.138 50 0 JKAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)cc1 ZINC000035512705 569698565 /nfs/dbraw/zinc/69/85/65/569698565.db2.gz RJCKCAMPJNQUCH-UHFFFAOYSA-N -1 1 453.589 5.324 50 0 JKAAMM CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc([O-])c(Br)c(CN(C)C)c21 ZINC000072329978 569702694 /nfs/dbraw/zinc/70/26/94/569702694.db2.gz UJJGNQLBXAEDDI-UHFFFAOYSA-N -1 1 477.424 5.177 50 0 JKAAMM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2-c2ccc(C)cc2)cc1 ZINC000035672305 569706341 /nfs/dbraw/zinc/70/63/41/569706341.db2.gz PKLMFVRKDMUUOM-UHFFFAOYSA-N -1 1 480.520 6.587 50 0 JKAAMM Cc1c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2oc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000085654779 569714856 /nfs/dbraw/zinc/71/48/56/569714856.db2.gz YQYVCYBAIRQAIE-UHFFFAOYSA-N -1 1 465.918 5.912 50 0 JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc5ncccc5c3)CC(=O)O4)c2=O)cc1 ZINC000085879122 569716258 /nfs/dbraw/zinc/71/62/58/569716258.db2.gz PYIAFIXOKONNLN-LJQANCHMSA-N -1 1 465.461 5.163 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc3ncccc3c2)cc1 ZINC000085879122 569716260 /nfs/dbraw/zinc/71/62/60/569716260.db2.gz PYIAFIXOKONNLN-LJQANCHMSA-N -1 1 465.461 5.163 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cccc5cccnc53)CC(=O)O4)c2=O)cc1 ZINC000085878564 569716304 /nfs/dbraw/zinc/71/63/04/569716304.db2.gz NCASJEMCMWNUFR-LJQANCHMSA-N -1 1 465.461 5.163 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cccc3cccnc32)cc1 ZINC000085878564 569716305 /nfs/dbraw/zinc/71/63/05/569716305.db2.gz NCASJEMCMWNUFR-LJQANCHMSA-N -1 1 465.461 5.163 50 0 biogenic JKAAMM Cc1cccc([C@@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(=O)c2ccccc2)c1 ZINC000089669351 569719505 /nfs/dbraw/zinc/71/95/05/569719505.db2.gz DWTVDAXWSGKKLI-NDEPHWFRSA-N -1 1 495.604 5.787 50 0 JKAAMM O=C1CS[C@@H](c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)N1c1ccccc1F ZINC000035910256 569725569 /nfs/dbraw/zinc/72/55/69/569725569.db2.gz RZBNOJGHBJIGBH-VWLOTQADSA-N -1 1 478.570 5.558 50 0 JKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)cc2)cc1 ZINC000035910270 569725592 /nfs/dbraw/zinc/72/55/92/569725592.db2.gz YVZXBSMKQFASDF-DEOSSOPVSA-N -1 1 484.618 5.703 50 0 JKAAMM CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000035910519 569725809 /nfs/dbraw/zinc/72/58/09/569725809.db2.gz TZQGEURMXWCJLT-DEOSSOPVSA-N -1 1 452.601 5.389 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000035910959 569726142 /nfs/dbraw/zinc/72/61/42/569726142.db2.gz ZPYITLOEILGFGF-SANMLTNESA-N -1 1 494.682 6.180 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000035910963 569726217 /nfs/dbraw/zinc/72/62/17/569726217.db2.gz XFEVLHXIGRAWLG-QFIPXVFZSA-N -1 1 458.992 5.228 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1C ZINC000035910953 569726236 /nfs/dbraw/zinc/72/62/36/569726236.db2.gz VDEMDWGVBWOHEV-QHCPKHFHSA-N -1 1 456.564 5.022 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 ZINC000035912485 569727527 /nfs/dbraw/zinc/72/75/27/569727527.db2.gz NQCUNIBJPKPSKT-SANMLTNESA-N -1 1 494.682 6.180 50 0 JKAAMM O=C1CS[C@H](c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)N1c1ccc(C(F)(F)F)cc1 ZINC000035927653 569730511 /nfs/dbraw/zinc/73/05/11/569730511.db2.gz YKUXRVLKCDFHOS-OAQYLSRUSA-N -1 1 496.507 5.424 50 0 JKAAMM CC(C)Oc1cccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)c1 ZINC000096114622 569733626 /nfs/dbraw/zinc/73/36/26/569733626.db2.gz LRPSXAABSXIZNF-IBGZPJMESA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM CC(C)Oc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)c1 ZINC000096114622 569733628 /nfs/dbraw/zinc/73/36/28/569733628.db2.gz LRPSXAABSXIZNF-IBGZPJMESA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1OC(C)C ZINC000096115149 569733980 /nfs/dbraw/zinc/73/39/80/569733980.db2.gz YZXBTMHCCWNJNH-SFHVURJKSA-N -1 1 488.492 5.108 50 0 biogenic JKAAMM C[C@@H]1Oc2ccccc2C=C1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096115783 569734590 /nfs/dbraw/zinc/73/45/90/569734590.db2.gz LBPOKOVKEVUSKJ-LIRRHRJNSA-N -1 1 468.461 5.128 50 0 biogenic JKAAMM C[C@@H]1Oc2ccccc2C=C1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096115783 569734591 /nfs/dbraw/zinc/73/45/91/569734591.db2.gz LBPOKOVKEVUSKJ-LIRRHRJNSA-N -1 1 468.461 5.128 50 0 biogenic JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccccc2OCc2ccccn2)S1 ZINC000096116656 569735520 /nfs/dbraw/zinc/73/55/20/569735520.db2.gz GCEWQAZEMHAPKE-AVRDEDQJSA-N -1 1 464.591 5.167 50 0 JKAAMM O=C1C([O-])=C(c2ccccc2)C(=C(O)c2ccccc2)N1c1nc2cc(Br)ccc2s1 ZINC000096592175 569741921 /nfs/dbraw/zinc/74/19/21/569741921.db2.gz FCUADCJAIJTKEK-HXUWFJFHSA-N -1 1 491.366 5.626 50 0 JKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000096791734 569743063 /nfs/dbraw/zinc/74/30/63/569743063.db2.gz MHVHYYNMBVRZLE-VJGNERBWSA-N -1 1 486.568 5.234 50 0 JKAAMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)ccc1Br ZINC000098072741 569750192 /nfs/dbraw/zinc/75/01/92/569750192.db2.gz KAHGMNILVKGTRP-UHFFFAOYSA-N -1 1 473.108 5.340 50 0 JKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Cl)cc1 ZINC000100040407 569751832 /nfs/dbraw/zinc/75/18/32/569751832.db2.gz VBLOCTJPDSKFSW-UHFFFAOYSA-N -1 1 470.960 5.920 50 0 JKAAMM Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccnc2)cc1 ZINC000100426034 569760197 /nfs/dbraw/zinc/76/01/97/569760197.db2.gz AQURXAZLEXEGHY-KCWXNJEJSA-N -1 1 481.552 5.805 50 0 JKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(F)c1 ZINC000100619552 569765666 /nfs/dbraw/zinc/76/56/66/569765666.db2.gz XTOXUSFRPNMWAC-UHFFFAOYSA-N -1 1 454.505 5.405 50 0 JKAAMM O=C1N[C@H](c2cccc(Oc3ccccc3)c2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100736384 569768319 /nfs/dbraw/zinc/76/83/19/569768319.db2.gz RHFMOOIGEUEFAI-MIZPHKNDSA-N -1 1 490.865 5.236 50 0 JKAAMM O=C1[N-]C(=S)SC1=Cc1cc(Br)ccc1OCc1ccccc1Br ZINC000038157678 569799561 /nfs/dbraw/zinc/79/95/61/569799561.db2.gz HXNBAOLVPAWYLT-OVCLIPMQSA-N -1 1 485.222 6.120 50 0 in-vitro JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3OCC)C2)c(=O)[nH]c1=S ZINC000101494673 569799806 /nfs/dbraw/zinc/79/98/06/569799806.db2.gz ZHMFZOBIERSYFX-OAQYLSRUSA-N -1 1 481.643 6.168 50 0 JKAAMM COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2[O-])=Nc2ccccc2S1 ZINC000101495515 569800317 /nfs/dbraw/zinc/80/03/17/569800317.db2.gz BHQSEACHWCSXQY-DEOSSOPVSA-N -1 1 499.592 5.215 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=S ZINC000101495416 569800499 /nfs/dbraw/zinc/80/04/99/569800499.db2.gz GMOITWMBYZRVKJ-LJQANCHMSA-N -1 1 472.035 6.423 50 0 JKAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@H](c2ccccc2)C1 ZINC000101495597 569800743 /nfs/dbraw/zinc/80/07/43/569800743.db2.gz YGLXUJGHDGYASX-NRFANRHFSA-N -1 1 475.957 5.243 50 0 JKAAMM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101766620 569804699 /nfs/dbraw/zinc/80/46/99/569804699.db2.gz WLQXIXYLOXQXRX-JOCHJYFZSA-N -1 1 477.586 5.114 50 0 JKAAMM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c(=O)n1C1CCCCC1 ZINC000101766674 569804811 /nfs/dbraw/zinc/80/48/11/569804811.db2.gz IBJVGOHBTUTGPR-IBGZPJMESA-N -1 1 453.589 5.167 50 0 JKAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@H](c2ccc(F)cc2)C1 ZINC000101766862 569804919 /nfs/dbraw/zinc/80/49/19/569804919.db2.gz VBYBUFBSLQDQHN-NRFANRHFSA-N -1 1 493.947 5.382 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=S ZINC000101767162 569805017 /nfs/dbraw/zinc/80/50/17/569805017.db2.gz SSSBEDKYTOEETK-IBGZPJMESA-N -1 1 453.589 5.475 50 0 JKAAMM Cc1nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)C3CCCCC3)nn2c(=O)c1Cc1ccccc1 ZINC000101878277 569806724 /nfs/dbraw/zinc/80/67/24/569806724.db2.gz ZSYADJPUXQYKED-UHFFFAOYSA-N -1 1 490.007 5.084 50 0 JKAAMM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000039383626 569809655 /nfs/dbraw/zinc/80/96/55/569809655.db2.gz UWRYONQJYIQYSR-UHFFFAOYSA-N -1 1 454.534 5.062 50 0 JKAAMM Cc1cccc(-c2nnc([C@@H](C)Nc3cccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)c3)o2)c1 ZINC000040004963 569813657 /nfs/dbraw/zinc/81/36/57/569813657.db2.gz AZWVHAKGLDHVIB-LJQANCHMSA-N -1 1 462.575 5.636 50 0 JKAAMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1ccccc1 ZINC000102572514 569814355 /nfs/dbraw/zinc/81/43/55/569814355.db2.gz IQMCXQXHRSJHGR-NSOVKSMOSA-N -1 1 492.623 6.082 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1cccnc1 ZINC000102649104 569815047 /nfs/dbraw/zinc/81/50/47/569815047.db2.gz OXJLQCNZXKSALJ-WHLCRQNOSA-N -1 1 485.515 5.636 50 0 JKAAMM Cc1cc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)nc2[O-])ccc1F ZINC000040484946 569829876 /nfs/dbraw/zinc/82/98/76/569829876.db2.gz WJSVFIOQLBJDCI-RPWUZVMVSA-N -1 1 486.572 5.312 50 0 JKAAMM O=C(Nc1ccc(-c2c(=O)n(-c3cccc(F)c3)[n-]c2-c2ccccc2)cc1)c1ccccc1F ZINC000103169060 569833609 /nfs/dbraw/zinc/83/36/09/569833609.db2.gz GLOSDFCRDHDIDG-UHFFFAOYSA-N -1 1 467.475 6.442 50 0 JKAAMM Cc1noc(-c2ccc(Cl)cc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000041097236 569837768 /nfs/dbraw/zinc/83/77/68/569837768.db2.gz LJPLTHKAASQMRG-UHFFFAOYSA-N -1 1 489.890 6.693 50 0 JKAAMM CCOC(=O)c1ccc2c(c1)nc(-c1ccccc1[N-]S(=O)(=O)c1ccc(OCC)cc1)n2CC ZINC000048311233 569845695 /nfs/dbraw/zinc/84/56/95/569845695.db2.gz CNEKVWKSQQHEAE-UHFFFAOYSA-N -1 1 493.585 5.099 50 0 JKAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NC4CCCCCCC4)C2)nc3=O)c1 ZINC000049421343 569847175 /nfs/dbraw/zinc/84/71/75/569847175.db2.gz TXDWRJBOZBXMPQ-LJQANCHMSA-N -1 1 494.661 5.106 50 0 JKAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)CC2)nc3=O)c1 ZINC000049421389 569847259 /nfs/dbraw/zinc/84/72/59/569847259.db2.gz DUWQJGVWIFFCDZ-KRWDZBQOSA-N -1 1 490.604 5.193 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)N[C@H](C)c4ccccc4)C2)nc3=O)cc1 ZINC000106002009 569853640 /nfs/dbraw/zinc/85/36/40/569853640.db2.gz SFFVKDORCFDUOD-WIYYLYMNSA-N -1 1 472.614 5.054 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)N[C@H](C)c4ccc(F)cc4)C2)nc3=O)cc1 ZINC000106002019 569853689 /nfs/dbraw/zinc/85/36/89/569853689.db2.gz YOTSNBJZKCNDCP-YLJYHZDGSA-N -1 1 490.604 5.193 50 0 JKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000137667962 569865237 /nfs/dbraw/zinc/86/52/37/569865237.db2.gz TWAUFHMPHXIOKH-OYUWMTPXSA-N -1 1 486.568 5.234 50 0 JKAAMM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000138591092 569865987 /nfs/dbraw/zinc/86/59/87/569865987.db2.gz MCHXRCKPXYDWTL-KMDXXIMOSA-N -1 1 469.928 5.248 50 0 JKAAMM O=C1[C@@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000229954296 570042662 /nfs/dbraw/zinc/04/26/62/570042662.db2.gz LKKNGOPEDJTLJJ-ISJGIBHGSA-N -1 1 499.364 5.653 50 0 JKAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)N[C@H]3CCCC[C@H]3C)C1)nc2=O ZINC000253496383 570100232 /nfs/dbraw/zinc/10/02/32/570100232.db2.gz YOTUHFMMCNRKFC-LQWHRVPQSA-N -1 1 464.635 5.284 50 0 JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc(F)c(F)c(F)c2)cc1OC ZINC000263586080 570171456 /nfs/dbraw/zinc/17/14/56/570171456.db2.gz PUDLKULYDWBQPF-CYBMUJFWSA-N -1 1 498.409 5.041 50 0 biogenic JKAAMM CCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(C)c(F)c2)n1 ZINC000001069121 194015670 /nfs/dbraw/zinc/01/56/70/194015670.db2.gz RFJPBONVWCGQRX-UHFFFAOYSA-N -1 1 469.925 5.919 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000001073163 194016823 /nfs/dbraw/zinc/01/68/23/194016823.db2.gz USLJZBRPSQNIDH-UHFFFAOYSA-N -1 1 458.539 5.840 50 0 JKAAMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000001078518 194019375 /nfs/dbraw/zinc/01/93/75/194019375.db2.gz HJHVDDJLCIDJRS-UHFFFAOYSA-N -1 1 487.002 5.403 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CNc2ccc(I)cc2)cc1 ZINC000001119553 194032603 /nfs/dbraw/zinc/03/26/03/194032603.db2.gz OQFCQJNLINVLIU-UHFFFAOYSA-N -1 1 478.355 5.013 50 0 JKAAMM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000001147368 194048576 /nfs/dbraw/zinc/04/85/76/194048576.db2.gz KUNWXSUAEAQRMJ-IBGZPJMESA-N -1 1 476.623 5.901 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)Nc1cccc(Cl)c1 ZINC000001165118 194057079 /nfs/dbraw/zinc/05/70/79/194057079.db2.gz WIFJGIUILYGMGZ-UHFFFAOYSA-N -1 1 451.331 5.055 50 0 JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000001148734 194049506 /nfs/dbraw/zinc/04/95/06/194049506.db2.gz ZCOIJKHMWUJYJO-UHFFFAOYSA-N -1 1 499.441 5.520 50 0 JKAAMM Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Cl ZINC000001230501 194076616 /nfs/dbraw/zinc/07/66/16/194076616.db2.gz ZTJMDJYDOHRFIG-UHFFFAOYSA-N -1 1 479.783 5.464 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1F ZINC000001408983 194116302 /nfs/dbraw/zinc/11/63/02/194116302.db2.gz YKLYNOHWRPFQOH-SONOPUAISA-N -1 1 484.527 6.241 50 0 JKAAMM CC(=O)N1c2ccccc2CCc2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc21 ZINC000001426213 194119114 /nfs/dbraw/zinc/11/91/14/194119114.db2.gz YEQJCXPLCJUYSI-UHFFFAOYSA-N -1 1 474.626 6.318 50 0 JKAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1C ZINC000002890641 194167482 /nfs/dbraw/zinc/16/74/82/194167482.db2.gz VEAYUXCBNMNTQO-UHFFFAOYSA-N -1 1 473.392 5.427 50 0 JKAAMM [O-]c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)cc1Cl ZINC000002978126 194192072 /nfs/dbraw/zinc/19/20/72/194192072.db2.gz BHBCMGAIZGNMPU-NRFANRHFSA-N -1 1 466.925 5.832 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C3CCCCC3)ccc2N2CCCCC2)cc1 ZINC000003007800 194202645 /nfs/dbraw/zinc/20/26/45/194202645.db2.gz MZRJGPLSHDLNJG-UHFFFAOYSA-N -1 1 469.651 5.191 50 0 JKAAMM COc1ccc(Cl)cc1-n1c2nc(SCc3ccc(C)cc3)[n-]c(=O)c2sc1=S ZINC000003034152 194213805 /nfs/dbraw/zinc/21/38/05/194213805.db2.gz NSDLJRCRRNZOCY-UHFFFAOYSA-N -1 1 462.021 5.768 50 0 JKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2c1C(=O)OCc1ccccc1 ZINC000003259402 194254615 /nfs/dbraw/zinc/25/46/15/194254615.db2.gz YESCYCQAXHIXNA-UHFFFAOYSA-N -1 1 463.555 6.022 50 0 JKAAMM COC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc3c2oc1C(C)(C)C ZINC000003368353 194304472 /nfs/dbraw/zinc/30/44/72/194304472.db2.gz WGGHLNBFZMWYFU-UHFFFAOYSA-N -1 1 479.598 6.594 50 0 JKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc23)c1C(=O)Nc1ccccc1 ZINC000003368520 194304557 /nfs/dbraw/zinc/30/45/57/194304557.db2.gz AJDQWVYAGVQKAD-UHFFFAOYSA-N -1 1 498.604 6.873 50 0 JKAAMM CCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C)cc1C)c1ccccc21 ZINC000003368501 194304566 /nfs/dbraw/zinc/30/45/66/194304566.db2.gz YBQJUBMJINYQJB-UHFFFAOYSA-N -1 1 479.598 6.659 50 0 JKAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000003379161 194309142 /nfs/dbraw/zinc/30/91/42/194309142.db2.gz HCOVKZRKBHNGKD-UHFFFAOYSA-N -1 1 454.558 6.102 50 0 JKAAMM COc1cc(S(=O)(=O)[N-]c2ccc(Sc3ccc(C)cc3C)cc2)ccc1NC(C)=O ZINC000003476867 194331485 /nfs/dbraw/zinc/33/14/85/194331485.db2.gz FYHDYUUTDGHRRW-UHFFFAOYSA-N -1 1 456.589 5.222 50 0 JKAAMM CC[C@]1(C)Cc2ccccc2-c2nc(S[C@H](C)C(=O)N(c3ccccc3)c3ccccc3)[n-]c(=O)c21 ZINC000003771760 194361373 /nfs/dbraw/zinc/36/13/73/194361373.db2.gz HWRGDMGFKASBNL-PRAQEBQASA-N -1 1 495.648 6.506 50 0 JKAAMM COc1ccc(Br)cc1CNCc1c(C)n(Cc2cccc(C)c2)c(C)c1C(=O)[O-] ZINC000009746587 194939967 /nfs/dbraw/zinc/93/99/67/194939967.db2.gz BVIFTUIUXDHXCR-UHFFFAOYSA-N -1 1 471.395 5.221 50 0 JKAAMM COc1ccc(-c2nnc(SCc3cc(=O)oc4cc([O-])ccc34)n2CCc2ccccc2)cc1 ZINC000012746071 195102681 /nfs/dbraw/zinc/10/26/81/195102681.db2.gz NFOUSSGKXHTKNF-UHFFFAOYSA-N -1 1 485.565 5.301 50 0 JKAAMM Cc1ccc(F)cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000012772893 195119026 /nfs/dbraw/zinc/11/90/26/195119026.db2.gz ZNGQYIMMHSCSFY-UHFFFAOYSA-N -1 1 467.349 5.423 50 0 JKAAMM CN(Cc1nc2ccccc2s1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012819077 195148553 /nfs/dbraw/zinc/14/85/53/195148553.db2.gz DBEBLLFIFVABIK-UHFFFAOYSA-N -1 1 471.991 5.023 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)ccc4C)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020850210 195230782 /nfs/dbraw/zinc/23/07/82/195230782.db2.gz SNIIRZCTXCHKRR-FTJBHMTQSA-N -1 1 496.636 5.790 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000020903590 195243681 /nfs/dbraw/zinc/24/36/81/195243681.db2.gz INXQAOMLGUOLHB-PKTZIBPZSA-N -1 1 490.535 5.143 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])cc1C ZINC000020903886 195243780 /nfs/dbraw/zinc/24/37/80/195243780.db2.gz YVXXPJKXKKWJHN-FYYLOGMGSA-N -1 1 488.638 5.543 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903833 195243880 /nfs/dbraw/zinc/24/38/80/195243880.db2.gz FUGNYFJVUPQXCC-IFMALSPDSA-N -1 1 474.611 5.234 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccccc1F ZINC000020903907 195244232 /nfs/dbraw/zinc/24/42/32/195244232.db2.gz JALQZWMSNWLTDA-CTNGQTDRSA-N -1 1 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CCCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059779 520224993 /nfs/dbraw/zinc/22/49/93/520224993.db2.gz YWCVZCVPURWNAB-UHFFFAOYSA-N -1 1 473.982 5.248 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(C)cc2)n1 ZINC000008612109 520569843 /nfs/dbraw/zinc/56/98/43/520569843.db2.gz CAKDDWVYJRPNCK-UHFFFAOYSA-N -1 1 465.962 6.170 50 0 JKAAMM CCOc1ccc(-c2noc(-c3oc4ccc(S(=O)(=O)[N-]c5ccc(C)cc5)cc4c3C)n2)cc1 ZINC000064948597 520825273 /nfs/dbraw/zinc/82/52/73/520825273.db2.gz IGAFKIAPFANYIU-UHFFFAOYSA-N -1 1 489.553 5.966 50 0 JKAAMM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2nc(SCC)ncc2Cl)cc1 ZINC000009431795 520923475 /nfs/dbraw/zinc/92/34/75/520923475.db2.gz LLLOJJBYQPZQSQ-UHFFFAOYSA-N -1 1 481.961 5.870 50 0 JKAAMM CCOc1ccc(CCn2c(-c3cccc(OC(F)(F)C(F)F)c3)n[n-]c2=S)cc1OCC ZINC000002793181 520955978 /nfs/dbraw/zinc/95/59/78/520955978.db2.gz RKOPQJIPJXIOOH-UHFFFAOYSA-N -1 1 485.503 5.884 50 0 JKAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1 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RKSIUFQSRRKZGF-UHFFFAOYSA-N -1 1 472.994 5.635 50 0 JKAAMM COc1ccc(-c2nc(C)c(-c3cc(=O)[n-]c(SCC(=O)Nc4ccccc4Cl)n3)s2)cc1 ZINC000033170113 523191718 /nfs/dbraw/zinc/19/17/18/523191718.db2.gz FSZKWNSIBHETDT-UHFFFAOYSA-N -1 1 499.017 5.674 50 0 JKAAMM COc1ccc(-c2nc(CSc3nc(C)c(Cc4ccccc4)c(=O)[n-]3)c(C)o2)c(OC)c1 ZINC000016841322 523214256 /nfs/dbraw/zinc/21/42/56/523214256.db2.gz SMMIOACWZQJJCT-UHFFFAOYSA-N -1 1 463.559 5.354 50 0 JKAAMM CCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000033116513 523283840 /nfs/dbraw/zinc/28/38/40/523283840.db2.gz IZNCNPVQVMTUOI-UHFFFAOYSA-N -1 1 484.419 5.405 50 0 JKAAMM COc1ccc(Br)cc1CNCc1c(C)n(Cc2ccccc2C)c(C)c1C(=O)[O-] ZINC000008611005 523498537 /nfs/dbraw/zinc/49/85/37/523498537.db2.gz CQDXSBKYNCIRHS-UHFFFAOYSA-N -1 1 471.395 5.221 50 0 JKAAMM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(Br)o2)cc1OC ZINC000020414617 523780848 /nfs/dbraw/zinc/78/08/48/523780848.db2.gz BKTLLXCSWDJHOL-UHFFFAOYSA-N -1 1 470.275 5.289 50 0 JKAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000033173637 523854014 /nfs/dbraw/zinc/85/40/14/523854014.db2.gz SLXMJMYNYJOKBI-UHFFFAOYSA-N -1 1 489.313 5.795 50 0 JKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490514 523876617 /nfs/dbraw/zinc/87/66/17/523876617.db2.gz PMZIJCWGJMPKOH-LOSJGSFVSA-N -1 1 498.608 5.182 50 0 JKAAMM CCc1ccc(NC(=O)CSc2nc(-c3sc(-c4ccc(OC)cc4)nc3C)cc(=O)[n-]2)cc1 ZINC000033170112 523974618 /nfs/dbraw/zinc/97/46/18/523974618.db2.gz FATKGPZQLZRWQG-UHFFFAOYSA-N -1 1 492.626 5.583 50 0 JKAAMM CCc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020491104 523976693 /nfs/dbraw/zinc/97/66/93/523976693.db2.gz WAWSZYVLBWRDHO-CLJLJLNGSA-N -1 1 496.636 5.735 50 0 JKAAMM CCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000013936161 523993477 /nfs/dbraw/zinc/99/34/77/523993477.db2.gz STSJRDHJFVZLLJ-UHFFFAOYSA-N -1 1 480.442 6.166 50 0 JKAAMM CC[C@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000065059750 524001796 /nfs/dbraw/zinc/00/17/96/524001796.db2.gz IICJFVHUMQEESU-IBGZPJMESA-N -1 1 481.618 5.402 50 0 JKAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(Cl)cc2)n(C)c(=O)n3C)cc1 ZINC000045941085 524016333 /nfs/dbraw/zinc/01/63/33/524016333.db2.gz TUZXSCGPNGZPCS-UHFFFAOYSA-N -1 1 488.034 5.045 50 0 JKAAMM Cc1cccc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)NCCC4=CCCCC4)cc3)cc2)c1 ZINC000033130269 524111018 /nfs/dbraw/zinc/11/10/18/524111018.db2.gz QOXZHUKQWGCRIX-UHFFFAOYSA-N -1 1 474.626 6.083 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491364 524232298 /nfs/dbraw/zinc/23/22/98/524232298.db2.gz RFKWSGVFUOSRTI-UIOOFZCWSA-N -1 1 496.636 5.790 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490805 524232331 /nfs/dbraw/zinc/23/23/31/524232331.db2.gz LRNYBUQFNHHQAC-LOSJGSFVSA-N -1 1 482.609 5.481 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491384 524232989 /nfs/dbraw/zinc/23/29/89/524232989.db2.gz ITDVJMUEPCEZTQ-RPWUZVMVSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490911 524233279 /nfs/dbraw/zinc/23/32/79/524233279.db2.gz PRQBMWDCXLIRBN-RPWUZVMVSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491388 524233766 /nfs/dbraw/zinc/23/37/66/524233766.db2.gz ITDVJMUEPCEZTQ-ZEQRLZLVSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)c(C)c1 ZINC000033289275 524324966 /nfs/dbraw/zinc/32/49/66/524324966.db2.gz FDTMVTREIWXSND-UHFFFAOYSA-N -1 1 477.438 6.996 50 0 JKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020491054 524519069 /nfs/dbraw/zinc/51/90/69/524519069.db2.gz ORSIYECRBQYGLO-RPBOFIJWSA-N -1 1 498.608 5.182 50 0 JKAAMM 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489.981 5.426 50 0 JKAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc(-c3ccc(C(C)C)cc3C(C)C)cs2)cc1 ZINC000011437207 555780214 /nfs/dbraw/zinc/78/02/14/555780214.db2.gz GPSBCIVZYPDTAC-UHFFFAOYSA-N -1 1 491.686 6.925 50 0 JKAAMM CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[n-]1)C(=O)Nc1c(C)cccc1C ZINC000020355886 555784928 /nfs/dbraw/zinc/78/49/28/555784928.db2.gz ROHKUFQABZFJAL-FQEVSTJZSA-N -1 1 499.658 5.265 50 0 JKAAMM COc1ccc(-c2nnc(SCC(=O)c3ccc([O-])cc3O)n2[C@@H]2CCCC[C@@H]2C)cc1 ZINC000014357833 555797158 /nfs/dbraw/zinc/79/71/58/555797158.db2.gz PJQAJLFMQQEJDB-MGPUTAFESA-N -1 1 453.564 5.091 50 0 JKAAMM O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000014361144 555799281 /nfs/dbraw/zinc/79/92/81/555799281.db2.gz NIMRKGIUNVVZLD-UHFFFAOYSA-N -1 1 484.883 5.177 50 0 JKAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000020554781 555807561 /nfs/dbraw/zinc/80/75/61/555807561.db2.gz NOSHRQLYKJJMNL-UHFFFAOYSA-N -1 1 486.597 5.727 50 0 JKAAMM 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Cc1nc(N)nc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2[O-])c1-c1ccccc1 ZINC000011865092 555839648 /nfs/dbraw/zinc/83/96/48/555839648.db2.gz PTSLGVBJVGJCDM-UHFFFAOYSA-N -1 1 452.341 6.293 50 0 JKAAMM C=Cc1ccc(COc2ccc(-c3nc(N)nc(C)c3Oc3ccccc3OCC)c([O-])c2)cc1 ZINC000011866311 555841524 /nfs/dbraw/zinc/84/15/24/555841524.db2.gz NQYSPJDHJFKUEA-UHFFFAOYSA-N -1 1 469.541 6.153 50 0 JKAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3c(Cl)cccc3Cl)cc2[O-])cc1OC ZINC000011866332 555841768 /nfs/dbraw/zinc/84/17/68/555841768.db2.gz DKMLAOMJCQAQSL-UHFFFAOYSA-N -1 1 498.366 6.001 50 0 JKAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2[O-])cc1OC ZINC000011866333 555841817 /nfs/dbraw/zinc/84/18/17/555841817.db2.gz GOWUAWQWPIBDNE-UHFFFAOYSA-N -1 1 498.366 6.001 50 0 JKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccc(C)cc4)cc3[O-])ncnc2C(F)(F)F)cc1OC ZINC000011866382 555841884 /nfs/dbraw/zinc/84/18/84/555841884.db2.gz PDZSSKQRWRHFJE-UHFFFAOYSA-N -1 1 496.485 6.440 50 0 JKAAMM Nc1ncc(-c2ccc(Br)cc2)c(-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])n1 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YMZGUSRPBXZHAE-UHFFFAOYSA-N -1 1 477.611 5.257 50 0 JKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3c(C)cccc3C)[n-]2)cc1 ZINC000012112527 555909066 /nfs/dbraw/zinc/90/90/66/555909066.db2.gz RGRCDIFHMHTHMI-UHFFFAOYSA-N -1 1 491.638 5.566 50 0 JKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3ccc(F)cc3)[n-]2)cc1 ZINC000012112525 555909386 /nfs/dbraw/zinc/90/93/86/555909386.db2.gz DODPLBUDVPNBOY-UHFFFAOYSA-N -1 1 481.574 5.088 50 0 JKAAMM CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3[O-])nc2c1 ZINC000015723648 555958423 /nfs/dbraw/zinc/95/84/23/555958423.db2.gz QGWUWHRLIUFSOP-UHFFFAOYSA-N -1 1 457.313 6.087 50 0 JKAAMM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000012369261 555961294 /nfs/dbraw/zinc/96/12/94/555961294.db2.gz KGQPVXJXSSBNJF-UHFFFAOYSA-N -1 1 452.203 5.510 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000012377091 555965384 /nfs/dbraw/zinc/96/53/84/555965384.db2.gz LGPIBPPITNZMQJ-UHFFFAOYSA-N -1 1 461.440 5.498 50 0 JKAAMM COc1cccc(OCCOc2c(Cl)cc(Cl)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000015800464 556008742 /nfs/dbraw/zinc/00/87/42/556008742.db2.gz FEBVYWISKGYMDR-PXNMLYILSA-N -1 1 456.372 5.789 50 0 JKAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(-c4ccc5ccccc5n4)c3)cc2C[C@H]1C ZINC000015827835 556015253 /nfs/dbraw/zinc/01/52/53/556015253.db2.gz KSWVHLQRKRBPTK-QGZVFWFLSA-N -1 1 457.555 5.000 50 0 JKAAMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c(C)c1C ZINC000012548395 556026218 /nfs/dbraw/zinc/02/62/18/556026218.db2.gz IIGJWYAQNKGPJM-UHFFFAOYSA-N -1 1 454.514 5.397 50 0 JKAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC=C(c4c[nH]c5ccccc54)CC3)c2)cc1 ZINC000012551854 556033904 /nfs/dbraw/zinc/03/39/04/556033904.db2.gz FHRYVTUULGAGAM-UHFFFAOYSA-N -1 1 471.582 5.207 50 0 JKAAMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012551943 556034203 /nfs/dbraw/zinc/03/42/03/556034203.db2.gz AZBWYRUEJTYKFZ-AWEZNQCLSA-N -1 1 466.456 5.136 50 0 JKAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000015870151 556049641 /nfs/dbraw/zinc/04/96/41/556049641.db2.gz DJNOYOUMCXHKIR-UHFFFAOYSA-N -1 1 451.573 5.302 50 0 JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1C ZINC000015870200 556049697 /nfs/dbraw/zinc/04/96/97/556049697.db2.gz XGDJSFPHMBVGRK-UHFFFAOYSA-N -1 1 451.573 5.275 50 0 JKAAMM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000015870447 556050017 /nfs/dbraw/zinc/05/00/17/556050017.db2.gz KXCHWEMRYSWYHT-UHFFFAOYSA-N -1 1 473.520 5.661 50 0 JKAAMM CC(C)C(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc2s1 ZINC000015870313 556050121 /nfs/dbraw/zinc/05/01/21/556050121.db2.gz ILXYUEOUYRAFKB-UHFFFAOYSA-N -1 1 457.621 5.739 50 0 JKAAMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000015870701 556050439 /nfs/dbraw/zinc/05/04/39/556050439.db2.gz YDEXHAMLDZNLCT-UHFFFAOYSA-N -1 1 455.967 5.119 50 0 JKAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccccc1OC ZINC000023424156 556052426 /nfs/dbraw/zinc/05/24/26/556052426.db2.gz AAOGPMQRTLXOES-PDGQHHTCSA-N -1 1 465.980 5.534 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccc2c(c1)CCCC2 ZINC000015882145 556055277 /nfs/dbraw/zinc/05/52/77/556055277.db2.gz INHYFYNRXIJOFL-UHFFFAOYSA-N -1 1 462.619 5.204 50 0 JKAAMM CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)nn2)CC1 ZINC000015882212 556055568 /nfs/dbraw/zinc/05/55/68/556055568.db2.gz MYRRGGABYZIHGT-UHFFFAOYSA-N -1 1 476.524 5.200 50 0 JKAAMM CC(C)(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)cc1 ZINC000015905940 556062974 /nfs/dbraw/zinc/06/29/74/556062974.db2.gz COMKRGRQFJSWBT-UHFFFAOYSA-N -1 1 477.413 6.344 50 0 JKAAMM CC(C)(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2Cl)cc1 ZINC000015906138 556063338 /nfs/dbraw/zinc/06/33/38/556063338.db2.gz GPFTZVRGCGNRFG-UHFFFAOYSA-N -1 1 477.413 6.344 50 0 JKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cc2c(s1)CCCC2 ZINC000012584574 556082037 /nfs/dbraw/zinc/08/20/37/556082037.db2.gz YQDJWMIHXHGSKI-UHFFFAOYSA-N -1 1 480.533 5.699 50 0 JKAAMM O=C(Nc1ccc2ccccc2c1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000023712519 556084891 /nfs/dbraw/zinc/08/48/91/556084891.db2.gz ARIQOWGIUWPWFX-UHFFFAOYSA-N -1 1 474.538 5.054 50 0 JKAAMM O=C(Nc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cs1)Nc1ccccc1 ZINC000012590537 556086585 /nfs/dbraw/zinc/08/65/85/556086585.db2.gz KUNZPNAYEAARHT-UHFFFAOYSA-N -1 1 484.990 5.908 50 0 JKAAMM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012623629 556092321 /nfs/dbraw/zinc/09/23/21/556092321.db2.gz AUFFXHSXAPUYQG-UHFFFAOYSA-N -1 1 476.945 5.156 50 0 JKAAMM O=C(Nc1ccccc1Sc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000012688197 556102064 /nfs/dbraw/zinc/10/20/64/556102064.db2.gz UYBFFIUFJGSIMY-UHFFFAOYSA-N -1 1 478.570 6.030 50 0 JKAAMM CCOC(=O)c1cc(C(=O)c2ccccc2)[n-]c1Sc1ccccc1C(=O)NCc1ccco1 ZINC000012759143 556108867 /nfs/dbraw/zinc/10/88/67/556108867.db2.gz BGZDRTABSDMZFO-UHFFFAOYSA-N -1 1 474.538 5.097 50 0 JKAAMM COc1cccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000016035662 556119319 /nfs/dbraw/zinc/11/93/19/556119319.db2.gz LUNPCDSWWVRHIL-ZRDIBKRKSA-N -1 1 456.951 5.110 50 0 JKAAMM Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000016044980 556125624 /nfs/dbraw/zinc/12/56/24/556125624.db2.gz DIGKMTVGYFZGDW-MRXNPFEDSA-N -1 1 491.588 5.793 50 0 JKAAMM O=C(Nc1ccc(OC(F)F)cc1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000016494832 556141555 /nfs/dbraw/zinc/14/15/55/556141555.db2.gz ZBVIQPUHWLOKOX-UHFFFAOYSA-N -1 1 470.856 5.134 50 0 JKAAMM Cc1cc(F)ccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000024926800 556164130 /nfs/dbraw/zinc/16/41/30/556164130.db2.gz XILDFONIFHJTAU-UHFFFAOYSA-N -1 1 467.349 5.423 50 0 JKAAMM Cc1cc(C)cc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000024970019 556165586 /nfs/dbraw/zinc/16/55/86/556165586.db2.gz RFOZGUQUGIGFPS-UHFFFAOYSA-N -1 1 463.386 5.592 50 0 JKAAMM CC(C)(C)c1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000024981414 556168298 /nfs/dbraw/zinc/16/82/98/556168298.db2.gz TXSSHTAZSJOGSU-UHFFFAOYSA-N -1 1 491.440 6.273 50 0 JKAAMM CCc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000024981401 556168402 /nfs/dbraw/zinc/16/84/02/556168402.db2.gz QRQQRWFBJIAJLE-UHFFFAOYSA-N -1 1 463.386 5.538 50 0 JKAAMM O=C(CSc1nc2c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-2)c1ccc(Cl)cc1 ZINC000016945409 556182883 /nfs/dbraw/zinc/18/28/83/556182883.db2.gz QSDMIJLKMAMTGR-UHFFFAOYSA-N -1 1 450.991 5.823 50 0 JKAAMM CC[C@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3cccc4ccccc43)[n-]c(=O)c21 ZINC000016957153 556188237 /nfs/dbraw/zinc/18/82/37/556188237.db2.gz PRSPZVKQOOUYGO-HHHXNRCGSA-N -1 1 455.583 5.545 50 0 JKAAMM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4cccc(F)c4)cc3)n2)cc1 ZINC000017013922 556203875 /nfs/dbraw/zinc/20/38/75/556203875.db2.gz UEEDHPABFBQAJY-UHFFFAOYSA-N -1 1 479.537 5.221 50 0 JKAAMM Cc1cc(Nc2ccccc2)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)n1 ZINC000017013971 556204270 /nfs/dbraw/zinc/20/42/70/556204270.db2.gz ULHJWXDIZHIJTI-UHFFFAOYSA-N -1 1 465.966 5.726 50 0 JKAAMM O=C1C[C@@H](c2ccc(OCc3ccccc3Cl)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000017045997 556211128 /nfs/dbraw/zinc/21/11/28/556211128.db2.gz JWKXQCYTMTYMRA-FQEVSTJZSA-N -1 1 457.917 5.143 50 0 JKAAMM CCc1ccc2nc(Nc3nc(CSc4nc5ccccc5s4)cc(=O)[n-]3)nc(C)c2c1 ZINC000017161436 556229688 /nfs/dbraw/zinc/22/96/88/556229688.db2.gz OBUCOIOUAFQXOG-UHFFFAOYSA-N -1 1 460.588 5.230 50 0 JKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000017993867 556275102 /nfs/dbraw/zinc/27/51/02/556275102.db2.gz TWAUFHMPHXIOKH-VJGNERBWSA-N -1 1 486.568 5.234 50 0 JKAAMM Cc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cc(Br)ccc2Cl)c1 ZINC000027527571 556288561 /nfs/dbraw/zinc/28/85/61/556288561.db2.gz HKIJRWPZZBYGKG-UHFFFAOYSA-N -1 1 468.738 5.172 50 0 JKAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(Br)cc1 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DPUDRGZHXANQDZ-UHFFFAOYSA-N -1 1 478.020 5.468 50 0 JKAAMM COc1cccc(-n2c3nc(SCc4cccc(C(F)(F)F)c4)[n-]c(=O)c3sc2=S)c1 ZINC000032948670 556564677 /nfs/dbraw/zinc/56/46/77/556564677.db2.gz PIJWCOFKGVJYSZ-UHFFFAOYSA-N -1 1 481.546 5.824 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2cccc(OC)c2)cc1 ZINC000008595844 562944161 /nfs/dbraw/zinc/94/41/61/562944161.db2.gz IPJFMMUNGFVXQN-HSZRJFAPSA-N -1 1 459.527 5.073 50 0 aggregator JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2cccc(OC)c2)cc1 ZINC000008595844 562944162 /nfs/dbraw/zinc/94/41/62/562944162.db2.gz IPJFMMUNGFVXQN-HSZRJFAPSA-N -1 1 459.527 5.073 50 0 aggregator JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2ccc(CC)cc2)cc1 ZINC000008595848 562944271 /nfs/dbraw/zinc/94/42/71/562944271.db2.gz WFJLFBQLTHWGEQ-XMMPIXPASA-N -1 1 457.555 5.627 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2ccc(CC)cc2)cc1 ZINC000008595848 562944272 /nfs/dbraw/zinc/94/42/72/562944272.db2.gz WFJLFBQLTHWGEQ-XMMPIXPASA-N -1 1 457.555 5.627 50 0 JKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)Nc1ccccc1 ZINC000008666869 562948880 /nfs/dbraw/zinc/94/88/80/562948880.db2.gz BDNWBWVHRQQBLX-UHFFFAOYSA-N -1 1 462.571 6.092 50 0 JKAAMM CC(C)(C)c1ccc(-c2nc3cc(=O)[n-]n3c(SCCOc3ccc(Cl)cc3)n2)cc1 ZINC000008673342 562950125 /nfs/dbraw/zinc/95/01/25/562950125.db2.gz WOYNXVRBRIRAKD-UHFFFAOYSA-N -1 1 454.983 5.207 50 0 JKAAMM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(-c4nc5cccnc5s4)ccc3C)cc2s1 ZINC000008683762 562951881 /nfs/dbraw/zinc/95/18/81/562951881.db2.gz SEWNSLMALNPYCK-UHFFFAOYSA-N -1 1 452.586 5.386 50 0 JKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cccs1 ZINC000008686480 562952777 /nfs/dbraw/zinc/95/27/77/562952777.db2.gz KTXBCLQBGBIRKR-UHFFFAOYSA-N -1 1 495.548 5.420 50 0 JKAAMM O=C(/C=C/c1ccc(F)cc1)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000008686690 562952958 /nfs/dbraw/zinc/95/29/58/562952958.db2.gz KFOGOWMSTWACPL-FMIVXFBMSA-N -1 1 464.440 5.297 50 0 aggregator JKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(C(=O)OC)c(C(C)(C)C)oc3c3ccccc23)cc1 ZINC000008439298 569589754 /nfs/dbraw/zinc/58/97/54/569589754.db2.gz KANMOHNHGQBDJX-UHFFFAOYSA-N -1 1 481.570 5.870 50 0 JKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2oc1-c1ccccc1 ZINC000008439328 569589835 /nfs/dbraw/zinc/58/98/35/569589835.db2.gz AIUAJJWXKPMLHH-UHFFFAOYSA-N -1 1 477.582 6.311 50 0 JKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)c(=N)oc2cc1[O-] ZINC000008453697 569591346 /nfs/dbraw/zinc/59/13/46/569591346.db2.gz NGRDHMCFUQUTPU-UHFFFAOYSA-N -1 1 496.632 8.323 50 0 JKAAMM CC(C)(C)c1cc(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc(C(C)(C)C)c1O ZINC000008728033 569601332 /nfs/dbraw/zinc/60/13/32/569601332.db2.gz YAJGNXAICBMXNP-UHFFFAOYSA-N -1 1 465.634 5.747 50 0 JKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000033007852 569615571 /nfs/dbraw/zinc/61/55/71/569615571.db2.gz OOAYKRQVZDOJMU-UHFFFAOYSA-N -1 1 467.572 5.057 50 0 JKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000033007656 569615647 /nfs/dbraw/zinc/61/56/47/569615647.db2.gz XQVAXBMNPJHIGJ-UHFFFAOYSA-N -1 1 451.573 5.473 50 0 JKAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000033007662 569615650 /nfs/dbraw/zinc/61/56/50/569615650.db2.gz FAAPATFOSAWGQC-UHFFFAOYSA-N -1 1 465.600 5.548 50 0 JKAAMM CCCc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(OC)c2)cc1 ZINC000033007969 569615746 /nfs/dbraw/zinc/61/57/46/569615746.db2.gz OHDAUOFKQIPBKT-UHFFFAOYSA-N -1 1 481.599 5.311 50 0 JKAAMM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(SC)cc2)cc1 ZINC000064558202 569618563 /nfs/dbraw/zinc/61/85/63/569618563.db2.gz PSNIJMCUTXHOOX-HSZRJFAPSA-N -1 1 479.623 5.611 50 0 JKAAMM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000064558261 569618574 /nfs/dbraw/zinc/61/85/74/569618574.db2.gz GUJKHQSAMVNLEF-AREMUKBSSA-N -1 1 489.637 6.573 50 0 JKAAMM Cc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000064558252 569618590 /nfs/dbraw/zinc/61/85/90/569618590.db2.gz PHJKLEOOUPHAGT-XMMPIXPASA-N -1 1 461.583 5.758 50 0 JKAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033025787 569620844 /nfs/dbraw/zinc/62/08/44/569620844.db2.gz ZFVZLPIBPPFZQF-UHFFFAOYSA-N -1 1 453.951 5.638 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3cc(Cl)ccc3n2)c(C)c1 ZINC000033026167 569620999 /nfs/dbraw/zinc/62/09/99/569620999.db2.gz FRTUGCBNUSMZJN-UHFFFAOYSA-N -1 1 486.018 5.058 50 0 JKAAMM Cc1cccn2c(=O)cc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(C(C)C)cc3)nc12 ZINC000033026288 569621165 /nfs/dbraw/zinc/62/11/65/569621165.db2.gz LJCIMMCGTGZCBK-UHFFFAOYSA-N -1 1 479.627 5.219 50 0 JKAAMM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3ccc(-c4nc5ccccc5s4)cc3C)c(C)cc21 ZINC000033124041 569621712 /nfs/dbraw/zinc/62/17/12/569621712.db2.gz DGFTZKVGWJQEPS-UHFFFAOYSA-N -1 1 493.610 5.126 50 0 JKAAMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc(-c4nc5ccccc5s4)cc3)cc2c1C ZINC000033124029 569621715 /nfs/dbraw/zinc/62/17/15/569621715.db2.gz OCRZXBWOXINPGG-UHFFFAOYSA-N -1 1 492.578 5.995 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)cc1C ZINC000033169093 569621800 /nfs/dbraw/zinc/62/18/00/569621800.db2.gz RQENZOGQKKSZOD-UHFFFAOYSA-N -1 1 463.411 6.688 50 0 JKAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)cc1 ZINC000033169087 569621792 /nfs/dbraw/zinc/62/17/92/569621792.db2.gz MGCHNORXUWQANV-UHFFFAOYSA-N -1 1 477.438 7.023 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000033169042 569621796 /nfs/dbraw/zinc/62/17/96/569621796.db2.gz SHXUECKQCYFDBB-UHFFFAOYSA-N -1 1 453.347 6.210 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000033169092 569621811 /nfs/dbraw/zinc/62/18/11/569621811.db2.gz ZJLWXRYLIYLPLN-UHFFFAOYSA-N -1 1 489.449 6.950 50 0 JKAAMM CCc1ccc(CNC(=O)C2CCN(c3nc(=O)c4scc(-c5cccc(C)c5)c4[n-]3)CC2)cc1 ZINC000064611801 569623117 /nfs/dbraw/zinc/62/31/17/569623117.db2.gz OHVUKQLCPFHTSU-UHFFFAOYSA-N -1 1 486.641 5.055 50 0 JKAAMM Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)cc1C ZINC000033850738 569636312 /nfs/dbraw/zinc/63/63/12/569636312.db2.gz JWLRYYPMSLHMJA-UHFFFAOYSA-N -1 1 479.385 5.429 50 0 JKAAMM CC(C)c1ccc(CN2CCCN(c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000034737578 569654535 /nfs/dbraw/zinc/65/45/35/569654535.db2.gz UVZBUQIFGHVLCO-UHFFFAOYSA-N -1 1 463.603 5.443 50 0 JKAAMM Cc1cc(C)c(CN2CCCN(c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2=O)c(C)c1 ZINC000034737817 569654656 /nfs/dbraw/zinc/65/46/56/569654656.db2.gz SHDFNKTVMVYAEE-UHFFFAOYSA-N -1 1 463.603 5.245 50 0 JKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NCCC(C)C)c2)c1 ZINC000065059774 569654991 /nfs/dbraw/zinc/65/49/91/569654991.db2.gz KOKIVZZLTGXSRA-UHFFFAOYSA-N -1 1 467.591 5.067 50 0 JKAAMM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c2)sc1C(=O)N1CCCC1 ZINC000065117016 569666820 /nfs/dbraw/zinc/66/68/20/569666820.db2.gz YINXHWFQDIPPCN-UHFFFAOYSA-N -1 1 486.015 5.009 50 0 JKAAMM O=c1cc(-c2cccc(Cl)c2)nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[n-]1 ZINC000065330952 569675024 /nfs/dbraw/zinc/67/50/24/569675024.db2.gz BTOPAJQIYYFFBQ-UHFFFAOYSA-N -1 1 464.856 5.864 50 0 JKAAMM O=c1cc(-c2cccc(Cl)c2)nc(SCc2nc(-c3ccc(F)c(Br)c3)no2)[n-]1 ZINC000065330956 569675053 /nfs/dbraw/zinc/67/50/53/569675053.db2.gz VFZHFDZPWPPHKS-UHFFFAOYSA-N -1 1 493.745 5.747 50 0 JKAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)n2)c1 ZINC000065330976 569675071 /nfs/dbraw/zinc/67/50/71/569675071.db2.gz XEWHEFPTZIXDAH-UHFFFAOYSA-N -1 1 476.436 5.099 50 0 JKAAMM O=c1cc(-c2ccc(Cl)cc2)nc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)[n-]1 ZINC000065330986 569675082 /nfs/dbraw/zinc/67/50/82/569675082.db2.gz ZSFCGUJQCRTPJO-UHFFFAOYSA-N -1 1 480.855 5.744 50 0 JKAAMM Cc1ccc(C(=O)N2CCC[C@H](C(=O)OC(=C([O-])c3cccs3)c3cccs3)C2)cc1 ZINC000065563362 569675992 /nfs/dbraw/zinc/67/59/92/569675992.db2.gz PBUPUTXKPHNVJL-AVRDEDQJSA-N -1 1 453.585 5.138 50 0 JKAAMM Cc1c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2oc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000071761921 569697331 /nfs/dbraw/zinc/69/73/31/569697331.db2.gz AEEVXARYZQKORI-UHFFFAOYSA-N -1 1 465.918 5.912 50 0 JKAAMM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2-c2ccccc2)cc1 ZINC000035671395 569706047 /nfs/dbraw/zinc/70/60/47/569706047.db2.gz PQVIZQAXWJNFGL-UHFFFAOYSA-N -1 1 466.493 6.278 50 0 JKAAMM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2-c2ccccc2)cc1 ZINC000035671389 569706080 /nfs/dbraw/zinc/70/60/80/569706080.db2.gz HJXCGGLFFVVDTP-UHFFFAOYSA-N -1 1 467.481 5.909 50 0 JKAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000085412222 569710548 /nfs/dbraw/zinc/71/05/48/569710548.db2.gz AGXGTHZSBXDUAD-NRFANRHFSA-N -1 1 457.983 5.884 50 0 JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(OCC(C)C)cc3)CC(=O)O4)c2=O)cc1 ZINC000085879643 569716264 /nfs/dbraw/zinc/71/62/64/569716264.db2.gz OGUMTHYLLNJXII-NRFANRHFSA-N -1 1 486.520 5.650 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OCC(C)C)cc2)cc1 ZINC000085879643 569716265 /nfs/dbraw/zinc/71/62/65/569716265.db2.gz OGUMTHYLLNJXII-NRFANRHFSA-N -1 1 486.520 5.650 50 0 biogenic JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN([C@H]2CCCc4ccccc42)C(=O)[C@@H](C)O3)cc1F ZINC000035886907 569720723 /nfs/dbraw/zinc/72/07/23/569720723.db2.gz BDUMFTSMNPGMPO-CJAUYULYSA-N -1 1 494.588 5.122 50 0 JKAAMM CC[C@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2O[C@H](C)C1=O ZINC000035910060 569725277 /nfs/dbraw/zinc/72/52/77/569725277.db2.gz LAQLNAWDQZSLNJ-HOYKHHGWSA-N -1 1 482.577 5.196 50 0 JKAAMM O=C1CS[C@H](c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)N1c1ccc(F)cc1 ZINC000035910283 569725533 /nfs/dbraw/zinc/72/55/33/569725533.db2.gz IUQGYKSOXAFRBY-RUZDIDTESA-N -1 1 478.570 5.558 50 0 JKAAMM Cc1cccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000035910496 569725807 /nfs/dbraw/zinc/72/58/07/569725807.db2.gz UWGNTXWQMKYZED-RUZDIDTESA-N -1 1 480.655 5.872 50 0 JKAAMM CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000035910515 569725858 /nfs/dbraw/zinc/72/58/58/569725858.db2.gz JVEIRFRLODCONQ-DEOSSOPVSA-N -1 1 470.591 5.529 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3SCC(=O)N3c3ccc(C)c(C)c3)c2)cc1 ZINC000035910956 569726155 /nfs/dbraw/zinc/72/61/55/569726155.db2.gz NVRUGWRQUYMJNC-DEOSSOPVSA-N -1 1 452.601 5.191 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000035910972 569726224 /nfs/dbraw/zinc/72/62/24/569726224.db2.gz NORPBDDQDIWTOO-RUZDIDTESA-N -1 1 480.655 5.872 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000035910960 569726231 /nfs/dbraw/zinc/72/62/31/569726231.db2.gz ZPYITLOEILGFGF-AREMUKBSSA-N -1 1 494.682 6.180 50 0 JKAAMM CCc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000035912522 569727633 /nfs/dbraw/zinc/72/76/33/569727633.db2.gz VVDDXQPSEXSIRR-AREMUKBSSA-N -1 1 494.682 6.126 50 0 JKAAMM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072867 569750219 /nfs/dbraw/zinc/75/02/19/569750219.db2.gz WWGKLKDLGINXAR-UHFFFAOYSA-N -1 1 459.081 5.031 50 0 JKAAMM CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000035927662 569730633 /nfs/dbraw/zinc/73/06/33/569730633.db2.gz CHLAMNCOCLUMEC-XMMPIXPASA-N -1 1 487.046 6.043 50 0 JKAAMM O=C1CS[C@@H](c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)N1c1ccc(C(F)(F)F)cc1 ZINC000035927654 569730637 /nfs/dbraw/zinc/73/06/37/569730637.db2.gz YKUXRVLKCDFHOS-NRFANRHFSA-N -1 1 496.507 5.424 50 0 JKAAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)ccc1OC(C)C ZINC000096113877 569733091 /nfs/dbraw/zinc/73/30/91/569733091.db2.gz RGDPUDAXAQLXGJ-GOSISDBHSA-N -1 1 488.492 5.108 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1ccc(Br)cc1)CC(=O)O2 ZINC000096115825 569734838 /nfs/dbraw/zinc/73/48/38/569734838.db2.gz ZALSFTWVNAWHCI-INIZCTEOSA-N -1 1 479.282 5.075 50 0 biogenic JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc(OCc3cccnc3)c2)S1 ZINC000096118161 569735943 /nfs/dbraw/zinc/73/59/43/569735943.db2.gz RLKLKLNZHNLLGT-SIKLNZKXSA-N -1 1 464.591 5.167 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc(OCc3cccnc3)c2)S1 ZINC000096118160 569735948 /nfs/dbraw/zinc/73/59/48/569735948.db2.gz RLKLKLNZHNLLGT-DENIHFKCSA-N -1 1 464.591 5.167 50 0 JKAAMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072811 569750275 /nfs/dbraw/zinc/75/02/75/569750275.db2.gz RAGWUTHREAXTCW-UHFFFAOYSA-N -1 1 482.627 5.941 50 0 JKAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2C)cc1 ZINC000100490881 569762140 /nfs/dbraw/zinc/76/21/40/569762140.db2.gz PXZQOXSMBUMHHL-UHFFFAOYSA-N -1 1 487.375 5.013 50 0 JKAAMM COc1ccccc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100502618 569762945 /nfs/dbraw/zinc/76/29/45/569762945.db2.gz YAQXNDCKXODUMB-UHFFFAOYSA-N -1 1 466.541 5.275 50 0 JKAAMM COc1cccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1OC ZINC000100616999 569765705 /nfs/dbraw/zinc/76/57/05/569765705.db2.gz ZRTMYRLALYMHGS-UHFFFAOYSA-N -1 1 496.567 5.283 50 0 JKAAMM COc1ccc(OC)c(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1 ZINC000100657780 569766237 /nfs/dbraw/zinc/76/62/37/569766237.db2.gz QRBHFBWSTGSRAD-UHFFFAOYSA-N -1 1 496.567 5.283 50 0 JKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Cl)cc1 ZINC000100950194 569777774 /nfs/dbraw/zinc/77/77/74/569777774.db2.gz KRKNSQVJAJITBJ-DNQXCXABSA-N -1 1 470.960 5.501 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101131236 569783950 /nfs/dbraw/zinc/78/39/50/569783950.db2.gz RWOJXXMELXBCQV-VJGNERBWSA-N -1 1 486.568 5.234 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101137389 569784303 /nfs/dbraw/zinc/78/43/03/569784303.db2.gz WYSNQLAPGDPWBR-PFBJBMPXSA-N -1 1 486.568 5.234 50 0 JKAAMM Cc1ccc(-c2csc(=Nc3[n-]cnc3C(=O)Nc3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000101386954 569795635 /nfs/dbraw/zinc/79/56/35/569795635.db2.gz JAHPNNBSAWWDML-ZXPTYKNPSA-N -1 1 486.000 6.375 50 0 JKAAMM Cc1ccc(-c2csc(=Nc3nc[n-]c3C(=O)Nc3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000101386954 569795636 /nfs/dbraw/zinc/79/56/36/569795636.db2.gz JAHPNNBSAWWDML-ZXPTYKNPSA-N -1 1 486.000 6.375 50 0 JKAAMM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c(=O)n1Cc1ccccc1 ZINC000101494937 569799943 /nfs/dbraw/zinc/79/99/43/569799943.db2.gz LAWPGXBEVVHHFQ-QFIPXVFZSA-N -1 1 489.984 5.302 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=S ZINC000101495172 569800044 /nfs/dbraw/zinc/80/00/44/569800044.db2.gz LQCXGCKLMUIWFI-FQEVSTJZSA-N -1 1 467.616 5.778 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)[nH]c1=S ZINC000101494892 569800126 /nfs/dbraw/zinc/80/01/26/569800126.db2.gz SYHDNBWWCWWEDQ-IBGZPJMESA-N -1 1 453.589 5.475 50 0 JKAAMM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=S ZINC000101494888 569800131 /nfs/dbraw/zinc/80/01/31/569800131.db2.gz SWHFUDVWUMDZEB-INIZCTEOSA-N -1 1 474.405 5.269 50 0 JKAAMM Cc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3[O-])=Nc3ccccc3S2)s1 ZINC000101495224 569800516 /nfs/dbraw/zinc/80/05/16/569800516.db2.gz MXOCOOQGPKHKGM-FQEVSTJZSA-N -1 1 496.013 5.613 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc4ccccc43)C2)c(=O)[nH]c1=S ZINC000101495605 569800586 /nfs/dbraw/zinc/80/05/86/569800586.db2.gz DKNROGUCGISUGP-QHCPKHFHSA-N -1 1 487.650 6.923 50 0 JKAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2ccccc2)C1 ZINC000101495599 569800685 /nfs/dbraw/zinc/80/06/85/569800685.db2.gz YGLXUJGHDGYASX-OAQYLSRUSA-N -1 1 475.957 5.243 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3OC)C2)c(=O)[nH]c1=S ZINC000101495666 569800700 /nfs/dbraw/zinc/80/07/00/569800700.db2.gz QZFLKVJJMVSHTF-HXUWFJFHSA-N -1 1 467.616 5.778 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(OC)c(O)c3)C2)c(=O)[nH]c1=S ZINC000101495530 569800725 /nfs/dbraw/zinc/80/07/25/569800725.db2.gz OGXAMUPSHFMROQ-HXUWFJFHSA-N -1 1 483.615 5.484 50 0 JKAAMM CC(=O)Oc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000101591477 569801579 /nfs/dbraw/zinc/80/15/79/569801579.db2.gz NLIUKWDAVBIWCO-UHFFFAOYSA-N -1 1 494.551 5.192 50 0 JKAAMM CCOc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101766629 569804807 /nfs/dbraw/zinc/80/48/07/569804807.db2.gz ULVMHXOPLCCPPB-HSZRJFAPSA-N -1 1 491.613 5.504 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(OC)cc3OC)C2)c(=O)[nH]c1=S ZINC000101767110 569804896 /nfs/dbraw/zinc/80/48/96/569804896.db2.gz UFXRFMQESSACOU-OAQYLSRUSA-N -1 1 497.642 5.787 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(OC)cc3OC)C2)c(=O)[nH]c1=S ZINC000101767105 569804970 /nfs/dbraw/zinc/80/49/70/569804970.db2.gz UFXRFMQESSACOU-NRFANRHFSA-N -1 1 497.642 5.787 50 0 JKAAMM Cc1cc(C)cc(-n2c([O-])c(C3=Nc4ccccc4S[C@@H](c4ccccc4)C3)c(=O)[nH]c2=O)c1 ZINC000101766794 569805086 /nfs/dbraw/zinc/80/50/86/569805086.db2.gz SUALRPWAXMYCHE-HSZRJFAPSA-N -1 1 469.566 5.206 50 0 JKAAMM O=C(Cc1sc(Nc2ccccc2)nc1[O-])Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039930970 569812298 /nfs/dbraw/zinc/81/22/98/569812298.db2.gz HWFWGMIPFCIPLJ-HXUWFJFHSA-N -1 1 451.935 5.571 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cccnc1 ZINC000102649095 569815006 /nfs/dbraw/zinc/81/50/06/569815006.db2.gz OXJLQCNZXKSALJ-VKGTZQKMSA-N -1 1 485.515 5.636 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cccnc1 ZINC000102649099 569815045 /nfs/dbraw/zinc/81/50/45/569815045.db2.gz OXJLQCNZXKSALJ-GDJIYFAZSA-N -1 1 485.515 5.636 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccnc1 ZINC000102649101 569815053 /nfs/dbraw/zinc/81/50/53/569815053.db2.gz OXJLQCNZXKSALJ-HMILPKGGSA-N -1 1 485.515 5.636 50 0 JKAAMM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706786 569816582 /nfs/dbraw/zinc/81/65/82/569816582.db2.gz RQHFDMPZWSUWKG-CCDWMCETSA-N -1 1 499.364 5.653 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102742133 569819395 /nfs/dbraw/zinc/81/93/95/569819395.db2.gz MMWXNOTWBPHFDY-ZONZVBGPSA-N -1 1 486.568 5.234 50 0 JKAAMM Cc1cc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)nc2[O-])ccc1F ZINC000040484940 569829879 /nfs/dbraw/zinc/82/98/79/569829879.db2.gz WJSVFIOQLBJDCI-BJKOFHAPSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1ccc(NC(=O)c2nc[n-]c2N=c2scc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000103441037 569835077 /nfs/dbraw/zinc/83/50/77/569835077.db2.gz JGMOQGNSKLJABQ-BXVZCJGGSA-N -1 1 451.555 5.722 50 0 JKAAMM Cc1ccc(NC(=O)c2[n-]cnc2N=c2scc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000103441037 569835079 /nfs/dbraw/zinc/83/50/79/569835079.db2.gz JGMOQGNSKLJABQ-BXVZCJGGSA-N -1 1 451.555 5.722 50 0 JKAAMM Cc1noc(-c2ccc(Cl)cc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000041097233 569837611 /nfs/dbraw/zinc/83/76/11/569837611.db2.gz XCNKGIWAMSGQQU-UHFFFAOYSA-N -1 1 470.912 6.841 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccs1 ZINC000104082686 569840568 /nfs/dbraw/zinc/84/05/68/569840568.db2.gz JOISOZCMNGDPJM-CBZJRKILSA-N -1 1 490.556 6.302 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C2)nc3=O)cc1 ZINC000049421292 569846992 /nfs/dbraw/zinc/84/69/92/569846992.db2.gz JOVFKCHJUHNQGI-IBGZPJMESA-N -1 1 493.032 5.146 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NC4CCCCCC4)C2)nc3=O)cc1 ZINC000049421265 569847000 /nfs/dbraw/zinc/84/70/00/569847000.db2.gz XNONAAJCQIHKTH-LJQANCHMSA-N -1 1 464.635 5.015 50 0 JKAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NC4CCCCCC4)CC2)nc3=O)c1 ZINC000049421373 569847251 /nfs/dbraw/zinc/84/72/51/569847251.db2.gz YYWDHVJAWJYXNI-UHFFFAOYSA-N -1 1 464.635 5.015 50 0 JKAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NC[C@@H](C)c4ccccc4)CC2)nc3=O)c1 ZINC000049421392 569847271 /nfs/dbraw/zinc/84/72/71/569847271.db2.gz CLGCAZODEYINNL-LJQANCHMSA-N -1 1 486.641 5.096 50 0 JKAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCc4cccc(Cl)c4)CC2)nc3=O)c1 ZINC000049421383 569847286 /nfs/dbraw/zinc/84/72/86/569847286.db2.gz RJBJHYCAHFWBDV-UHFFFAOYSA-N -1 1 493.032 5.146 50 0 JKAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NC[C@H](C)c4ccccc4)CC2)nc3=O)c1 ZINC000049421393 569847307 /nfs/dbraw/zinc/84/73/07/569847307.db2.gz CLGCAZODEYINNL-IBGZPJMESA-N -1 1 486.641 5.096 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000137666813 569865208 /nfs/dbraw/zinc/86/52/08/569865208.db2.gz WYSNQLAPGDPWBR-OYUWMTPXSA-N -1 1 486.568 5.234 50 0 JKAAMM C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000170626715 569873445 /nfs/dbraw/zinc/87/34/45/569873445.db2.gz MIUULCSECBIPQK-HNNXBMFYSA-N -1 1 491.432 5.369 50 0 JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1ccnc3ccccc31)CC(=O)O2 ZINC000253398269 570096270 /nfs/dbraw/zinc/09/62/70/570096270.db2.gz CAURDBJBZNIANF-GOSISDBHSA-N -1 1 469.880 5.808 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000253403048 570096885 /nfs/dbraw/zinc/09/68/85/570096885.db2.gz GWSKIJJDNWRUHG-SFHVURJKSA-N -1 1 472.880 5.688 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](c1cccc3cccnc31)CC(=O)O2 ZINC000253409976 570097566 /nfs/dbraw/zinc/09/75/66/570097566.db2.gz MSECJNBQFJOWEM-SFHVURJKSA-N -1 1 469.880 5.808 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(C(C)C)cc3)CC(=O)O4)c2=O)cc1OC ZINC000263585292 570170971 /nfs/dbraw/zinc/17/09/71/570170971.db2.gz HBEWZVRNUZUHSZ-IBGZPJMESA-N -1 1 486.520 5.747 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(C(C)C)cc2)cc1OC ZINC000263585292 570170972 /nfs/dbraw/zinc/17/09/72/570170972.db2.gz HBEWZVRNUZUHSZ-IBGZPJMESA-N -1 1 486.520 5.747 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc(F)c(F)c(F)c2)cc1OC ZINC000263586081 570171486 /nfs/dbraw/zinc/17/14/86/570171486.db2.gz PUDLKULYDWBQPF-ZDUSSCGKSA-N -1 1 498.409 5.041 50 0 biogenic JKAAMM O=S(=O)([N-]c1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1)c1ccc(F)cc1 ZINC000263639973 570173897 /nfs/dbraw/zinc/17/38/97/570173897.db2.gz QOXMFOWJPNEBKS-UHFFFAOYSA-N -1 1 469.847 5.613 50 0 JKAAMM Cc1cc(Br)ccc1NC(=S)Nc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000001041859 194008181 /nfs/dbraw/zinc/00/81/81/194008181.db2.gz UWQLAJRNGSJXRZ-UHFFFAOYSA-N -1 1 456.365 5.524 50 0 JKAAMM Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001075541 194017941 /nfs/dbraw/zinc/01/79/41/194017941.db2.gz OUGQQMCDLKJNAW-UHFFFAOYSA-N -1 1 488.634 6.340 50 0 JKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3F)ccc2C)cc1C ZINC000001058585 194011917 /nfs/dbraw/zinc/01/19/17/194011917.db2.gz NNHOIALRZRFUKU-UHFFFAOYSA-N -1 1 491.382 5.567 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2)cc1 ZINC000001076333 194018246 /nfs/dbraw/zinc/01/82/46/194018246.db2.gz SOGJLFIOHPHBBH-UHFFFAOYSA-N -1 1 459.365 5.119 50 0 JKAAMM Cc1ccc([N-]S(=O)(=O)c2cccc3c2cccc3S(=O)(=O)Nc2ccc(C)cc2C)c(C)c1 ZINC000001089978 194022128 /nfs/dbraw/zinc/02/21/28/194022128.db2.gz NDEGOUYHGVZVLT-UHFFFAOYSA-N -1 1 494.638 5.675 50 0 JKAAMM O=C(CSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000001093501 194022778 /nfs/dbraw/zinc/02/27/78/194022778.db2.gz IILIKLPBHCMHCI-UHFFFAOYSA-N -1 1 483.014 6.025 50 0 JKAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc2ccccc2c1 ZINC000001111065 194027422 /nfs/dbraw/zinc/02/74/22/194027422.db2.gz NOVFMZKEUFJXRB-UHFFFAOYSA-N -1 1 488.590 5.595 50 0 JKAAMM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000001078454 194019333 /nfs/dbraw/zinc/01/93/33/194019333.db2.gz OKWQWFRMQOOIQB-UHFFFAOYSA-N -1 1 466.584 5.058 50 0 JKAAMM COC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc21 ZINC000001166589 194058035 /nfs/dbraw/zinc/05/80/35/194058035.db2.gz FWKUNTWFWDIMSN-UHFFFAOYSA-N -1 1 474.332 5.244 50 0 JKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000001158998 194053924 /nfs/dbraw/zinc/05/39/24/194053924.db2.gz GDQITSOUPJJZFE-UHFFFAOYSA-N -1 1 479.783 5.464 50 0 JKAAMM O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1Cl ZINC000001196738 194067826 /nfs/dbraw/zinc/06/78/26/194067826.db2.gz WJVZELTWTKZUBZ-UHFFFAOYSA-N -1 1 483.746 5.295 50 0 JKAAMM COc1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4)ccc3o2)cc1Br ZINC000001180512 194062978 /nfs/dbraw/zinc/06/29/78/194062978.db2.gz ZGBCOCUPMLXSTM-UHFFFAOYSA-N -1 1 459.321 5.067 50 0 JKAAMM Cc1cc2nc(-c3cc(NC(=O)COc4ccc(Br)cc4)ccc3[O-])oc2c(C)c1 ZINC000001186714 194064676 /nfs/dbraw/zinc/06/46/76/194064676.db2.gz XKJONNGZSIGLAM-UHFFFAOYSA-N -1 1 467.319 5.597 50 0 JKAAMM Cc1ccc(SCc2cc(=O)[n-]c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000001407278 194116064 /nfs/dbraw/zinc/11/60/64/194116064.db2.gz LVZJLYQSTHPMOX-UHFFFAOYSA-N -1 1 489.622 6.306 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1F ZINC000001408986 194116276 /nfs/dbraw/zinc/11/62/76/194116276.db2.gz YKLYNOHWRPFQOH-SLQAJWMNSA-N -1 1 484.527 6.241 50 0 JKAAMM CC[C@@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000001407730 194116339 /nfs/dbraw/zinc/11/63/39/194116339.db2.gz UPNMJCXUQZQTCY-QHCPKHFHSA-N -1 1 473.520 5.410 50 0 JKAAMM O=C1N[C@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000001464495 194124244 /nfs/dbraw/zinc/12/42/44/194124244.db2.gz KUYQRMQSFAKNDF-DBXWQHBBSA-N -1 1 499.272 5.357 50 0 JKAAMM COc1ccccc1-c1nnc(SCc2cc(=O)oc3cc([O-])ccc23)n1-c1ccc(C)cc1 ZINC000002656438 194163371 /nfs/dbraw/zinc/16/33/71/194163371.db2.gz XMSBSVYLRVYELG-UHFFFAOYSA-N -1 1 471.538 5.356 50 0 JKAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)c1 ZINC000002886479 194167403 /nfs/dbraw/zinc/16/74/03/194167403.db2.gz HEEYMHYYOHBCNR-UHFFFAOYSA-N -1 1 463.386 5.972 50 0 JKAAMM CCCCCCc1cc2cc(-c3nc(-c4cc(Cl)ccc4OC)cs3)c(=O)oc2cc1[O-] ZINC000003073017 194224019 /nfs/dbraw/zinc/22/40/19/194224019.db2.gz YAPWROMJHLGJDU-UHFFFAOYSA-N -1 1 469.990 7.074 50 0 biogenic JKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C2CCCCC2)c1CSc1ccccc1 ZINC000003114711 194227535 /nfs/dbraw/zinc/22/75/35/194227535.db2.gz OKHZCIFCEKTVHO-UHFFFAOYSA-N -1 1 488.447 7.084 50 0 biogenic JKAAMM O=C(Nc1ccc(F)cc1F)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000003212141 194239796 /nfs/dbraw/zinc/23/97/96/194239796.db2.gz YAIBTLKICPXWNA-UHFFFAOYSA-N -1 1 456.392 5.037 50 0 JKAAMM CCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OCC)cc1)c1ccccc21 ZINC000003221628 194242739 /nfs/dbraw/zinc/24/27/39/194242739.db2.gz BQKANAOUEBROBK-UHFFFAOYSA-N -1 1 495.597 6.441 50 0 JKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1)N1CCc2ccccc21 ZINC000003261678 194255237 /nfs/dbraw/zinc/25/52/37/194255237.db2.gz WETORWKIDSOHRO-UHFFFAOYSA-N -1 1 484.577 5.269 50 0 JKAAMM O=C(Nc1ccc(F)cc1Cl)c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1 ZINC000003271285 194258319 /nfs/dbraw/zinc/25/83/19/194258319.db2.gz HPYYGKOCNQVVEX-UHFFFAOYSA-N -1 1 486.924 5.847 50 0 JKAAMM O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000003305542 194274630 /nfs/dbraw/zinc/27/46/30/194274630.db2.gz YWMABTANRWNTIN-UHFFFAOYSA-N -1 1 495.532 5.781 50 0 JKAAMM COC(=O)c1c2cc([N-]S(=O)(=O)c3cc(C)ccc3C)c3ccccc3c2oc1C(C)(C)C ZINC000003368344 194304298 /nfs/dbraw/zinc/30/42/98/194304298.db2.gz KBGWCWKKANMBJD-UHFFFAOYSA-N -1 1 465.571 6.088 50 0 JKAAMM CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc21 ZINC000003368361 194304488 /nfs/dbraw/zinc/30/44/88/194304488.db2.gz CRTQKAOXYKDXIS-UHFFFAOYSA-N -1 1 479.598 6.776 50 0 JKAAMM COC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3c2oc1C(C)(C)C ZINC000003368469 194304521 /nfs/dbraw/zinc/30/45/21/194304521.db2.gz OFVVHAUJIMHJCO-UHFFFAOYSA-N -1 1 471.962 6.124 50 0 JKAAMM CCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc21 ZINC000003368534 194304553 /nfs/dbraw/zinc/30/45/53/194304553.db2.gz MQBZUJGAYZHAAN-UHFFFAOYSA-N -1 1 465.571 6.351 50 0 JKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OCc1ccccc1 ZINC000003368419 194304599 /nfs/dbraw/zinc/30/45/99/194304599.db2.gz WTAVLQRVUMQOML-UHFFFAOYSA-N -1 1 477.582 6.197 50 0 JKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1C(=O)OCc1ccccc1 ZINC000003368381 194304605 /nfs/dbraw/zinc/30/46/05/194304605.db2.gz AEQQDMMSOXGPSX-UHFFFAOYSA-N -1 1 485.561 6.361 50 0 JKAAMM CC1(C)Cc2oc3c(cc([N-]S(=O)(=O)c4ccc5ccccc5c4)cc3Cl)c2C(=O)C1 ZINC000003368512 194304618 /nfs/dbraw/zinc/30/46/18/194304618.db2.gz RBYUREVPKMRZJC-UHFFFAOYSA-N -1 1 453.947 6.195 50 0 JKAAMM CC[C@]1(C)Cc2ccccc2-c2nc(S[C@@H](C)C(=O)N(c3ccccc3)c3ccccc3)[n-]c(=O)c21 ZINC000003771758 194361397 /nfs/dbraw/zinc/36/13/97/194361397.db2.gz HWRGDMGFKASBNL-WENCNXQZSA-N -1 1 495.648 6.506 50 0 JKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000006023361 194410602 /nfs/dbraw/zinc/41/06/02/194410602.db2.gz JHEDMYLDGZOCOX-GOSISDBHSA-N -1 1 477.626 6.937 50 0 JKAAMM CC1(C)SC(=S)N(NC(=O)Nc2cccc3ccccc32)[C@H]1N([O-])C(=O)Nc1ccccc1 ZINC000008683460 194476254 /nfs/dbraw/zinc/47/62/54/194476254.db2.gz MPSKQXBLURAEMY-IBGZPJMESA-N -1 1 481.603 5.238 50 0 JKAAMM CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000009415375 194761740 /nfs/dbraw/zinc/76/17/40/194761740.db2.gz BVFOZWWHNLLZAH-IBGZPJMESA-N -1 1 467.978 5.110 50 0 JKAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009868596 195005088 /nfs/dbraw/zinc/00/50/88/195005088.db2.gz WLZMVZMLTUAZGV-UHFFFAOYSA-N -1 1 477.611 5.117 50 0 JKAAMM O=C(Cc1ccsc1)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012680721 195084105 /nfs/dbraw/zinc/08/41/05/195084105.db2.gz KFTVVUSDFXCCSL-UHFFFAOYSA-N -1 1 490.050 5.374 50 0 JKAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc2ccccc2c1 ZINC000012735154 195100288 /nfs/dbraw/zinc/10/02/88/195100288.db2.gz KPHWKGMNONQXJR-UHFFFAOYSA-N -1 1 485.392 6.129 50 0 JKAAMM Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)[N-]c4cccc(C)c4)ccc3Cl)ccc2o1 ZINC000012790496 195131424 /nfs/dbraw/zinc/13/14/24/195131424.db2.gz IKOXFXIAQBCGOO-UHFFFAOYSA-N -1 1 455.923 5.151 50 0 JKAAMM Cc1cc(Cl)ccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000012823195 195150377 /nfs/dbraw/zinc/15/03/77/195150377.db2.gz DFAMDBJXUQJHOK-UHFFFAOYSA-N -1 1 483.804 5.937 50 0 JKAAMM CCOc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1Br ZINC000012856622 195158054 /nfs/dbraw/zinc/15/80/54/195158054.db2.gz DCHOSZQTNOXDJD-UHFFFAOYSA-N -1 1 453.292 5.614 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)ccc4C)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020850216 195230773 /nfs/dbraw/zinc/23/07/73/195230773.db2.gz SNIIRZCTXCHKRR-UIOOFZCWSA-N -1 1 496.636 5.790 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020849956 195230930 /nfs/dbraw/zinc/23/09/30/195230930.db2.gz FVTITBKFPBYJAD-FTJBHMTQSA-N -1 1 496.636 5.790 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000020903849 195243705 /nfs/dbraw/zinc/24/37/05/195243705.db2.gz UPVORHSYWQUVQE-CTNGQTDRSA-N -1 1 495.029 5.579 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])cc1C ZINC000020903884 195243753 /nfs/dbraw/zinc/24/37/53/195243753.db2.gz YVXXPJKXKKWJHN-GGAORHGYSA-N -1 1 488.638 5.543 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1F ZINC000020903655 195243821 /nfs/dbraw/zinc/24/38/21/195243821.db2.gz FUFRCZQMPBCVDK-XZOQPEGZSA-N -1 1 490.535 5.143 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000020903851 195243863 /nfs/dbraw/zinc/24/38/63/195243863.db2.gz UPVORHSYWQUVQE-TZIWHRDSSA-N -1 1 495.029 5.579 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])cc1F ZINC000020903859 195243891 /nfs/dbraw/zinc/24/38/91/195243891.db2.gz YPXHGRLKXNXJGY-IFMALSPDSA-N -1 1 492.601 5.374 50 0 JKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3C)s2)cc1 ZINC000020904014 195244215 /nfs/dbraw/zinc/24/42/15/195244215.db2.gz KWVIDDUQKZMZEX-DQEYMECFSA-N -1 1 482.609 5.481 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccccc1F ZINC000020903911 195244408 /nfs/dbraw/zinc/24/44/08/195244408.db2.gz JALQZWMSNWLTDA-FPOVZHCZSA-N -1 1 478.574 5.065 50 0 JKAAMM Cc1cccn2cc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(Br)cc4)c3)nc12 ZINC000021783433 195321022 /nfs/dbraw/zinc/32/10/22/195321022.db2.gz QVNNPBPKPZMGCY-UHFFFAOYSA-N -1 1 456.365 5.181 50 0 JKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)cc1 ZINC000033115401 519045667 /nfs/dbraw/zinc/04/56/67/519045667.db2.gz PSDDFTYAJULSTI-UHFFFAOYSA-N -1 1 468.663 5.656 50 0 JKAAMM CC(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4ccccc4n3)c2)cc1 ZINC000033113825 519607321 /nfs/dbraw/zinc/60/73/21/519607321.db2.gz GTRRGRCRPLIGOZ-UHFFFAOYSA-N -1 1 459.571 5.687 50 0 JKAAMM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Br)s1 ZINC000033306434 519702338 /nfs/dbraw/zinc/70/23/38/519702338.db2.gz CRUZALSJCPCAMO-VMPITWQZSA-N -1 1 496.408 5.045 50 0 JKAAMM CC(C)NC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)nc1 ZINC000033138321 519717865 /nfs/dbraw/zinc/71/78/65/519717865.db2.gz FOZACZKIOGDLAR-UHFFFAOYSA-N -1 1 481.643 5.051 50 0 JKAAMM CC(C)Oc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1 ZINC000021784732 519782098 /nfs/dbraw/zinc/78/20/98/519782098.db2.gz MKHPDBPUVIQPAD-GOSISDBHSA-N -1 1 455.967 5.389 50 0 JKAAMM CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000021784538 519784844 /nfs/dbraw/zinc/78/48/44/519784844.db2.gz MUZHJQCZPCMXSX-MRXNPFEDSA-N -1 1 455.967 5.389 50 0 JKAAMM CCCCCc1ccc(OCCOCCNC(=O)c2ccc3ccccc3c2[O-])c(CCCCC)c1 ZINC000004577103 520325962 /nfs/dbraw/zinc/32/59/62/520325962.db2.gz QDQWXPDQUKAAIS-UHFFFAOYSA-N -1 1 491.672 6.836 50 0 JKAAMM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000033253627 520544493 /nfs/dbraw/zinc/54/44/93/520544493.db2.gz AEMKSJDGGXVQDC-UHFFFAOYSA-N -1 1 474.529 5.271 50 0 JKAAMM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000033115556 520605270 /nfs/dbraw/zinc/60/52/70/520605270.db2.gz JBTVNMHRHZWOGU-UHFFFAOYSA-N -1 1 454.636 5.483 50 0 JKAAMM CC1=CC(C)(C)N(C(=O)CSc2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)c2ccccc21 ZINC000012436554 520852719 /nfs/dbraw/zinc/85/27/19/520852719.db2.gz AFVNEIULPMNUEH-UHFFFAOYSA-N -1 1 498.073 6.449 50 0 JKAAMM CCCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1 ZINC000021784609 520898727 /nfs/dbraw/zinc/89/87/27/520898727.db2.gz NBDMVUJHWBIHMF-GOSISDBHSA-N -1 1 453.539 5.267 50 0 JKAAMM CC1CCC(NC(=O)C2(c3ccc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)CC2)CC1 ZINC000033115472 520942730 /nfs/dbraw/zinc/94/27/30/520942730.db2.gz HIRKDLKOZHKRSK-UHFFFAOYSA-N -1 1 468.663 5.511 50 0 JKAAMM CC1CCC(NC(=O)C2(c3ccc([N-]S(=O)(=O)c4ccc(C5CCCCC5)cc4)cc3)CC2)CC1 ZINC000033115466 520943946 /nfs/dbraw/zinc/94/39/46/520943946.db2.gz OVBBTVQSWKUXKT-UHFFFAOYSA-N -1 1 494.701 6.262 50 0 JKAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)cc1 ZINC000046141506 521130372 /nfs/dbraw/zinc/13/03/72/521130372.db2.gz SJLJJNNHGFSWLI-UHFFFAOYSA-N -1 1 459.524 5.112 50 0 JKAAMM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)s1 ZINC000033306573 521194855 /nfs/dbraw/zinc/19/48/55/521194855.db2.gz WYYHUEYSNLEQOZ-CSKARUKUSA-N -1 1 451.957 5.018 50 0 JKAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000033297944 521195782 /nfs/dbraw/zinc/19/57/82/521195782.db2.gz YAXBDLRGMNZIOS-WDZFZDKYSA-N -1 1 463.918 5.095 50 0 JKAAMM CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1OC ZINC000020463983 521270993 /nfs/dbraw/zinc/27/09/93/521270993.db2.gz UDVMNVBWCSMGPG-OAHLLOKOSA-N -1 1 471.966 5.009 50 0 JKAAMM CCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SC/C=C/c3ccccc3)s2)n1 ZINC000009431809 521787382 /nfs/dbraw/zinc/78/73/82/521787382.db2.gz WEPVVSVWNQCEJJ-RMKNXTFCSA-N -1 1 450.014 5.151 50 0 JKAAMM COc1cc(-c2nc(CSc3nc(C)c(Cc4ccccc4)c(=O)[n-]3)c(C)o2)cc(OC)c1OC ZINC000045924813 521904323 /nfs/dbraw/zinc/90/43/23/521904323.db2.gz YAOOPRPNYZIRSZ-UHFFFAOYSA-N -1 1 493.585 5.363 50 0 JKAAMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000016448593 522223392 /nfs/dbraw/zinc/22/33/92/522223392.db2.gz BOCFVFTZDIBFFF-HXUWFJFHSA-N -1 1 493.629 5.193 50 0 JKAAMM COc1ccc(-c2nc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[n-]3)c(C)o2)c(OC)c1 ZINC000016840824 523215227 /nfs/dbraw/zinc/21/52/27/523215227.db2.gz 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C=Cc1ccc(COc2ccc(-c3nc(N)ncc3Oc3ccccc3OCC)c([O-])c2)cc1 ZINC000009058986 554877687 /nfs/dbraw/zinc/87/76/87/554877687.db2.gz NQJFNNFFHUKRFG-UHFFFAOYSA-N -1 1 455.514 5.844 50 0 JKAAMM COc1ccc(-c2cncnc2-c2ccc(OCc3ccc(Br)cc3)cc2[O-])cc1 ZINC000009130217 554929309 /nfs/dbraw/zinc/92/93/09/554929309.db2.gz GCDIFGXCTWBHJF-UHFFFAOYSA-N -1 1 463.331 5.866 50 0 JKAAMM COc1ccccc1CCN1C(=O)N(c2ccccc2)[C@@H](N([O-])C(=O)Nc2ccccc2)C1(C)C ZINC000009144788 554936530 /nfs/dbraw/zinc/93/65/30/554936530.db2.gz DDLDLHSJNRNWAK-DEOSSOPVSA-N -1 1 474.561 5.208 50 0 JKAAMM CCCCCN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000009144972 554936855 /nfs/dbraw/zinc/93/68/55/554936855.db2.gz UQFUBLBXDPNAJJ-FQEVSTJZSA-N -1 1 479.408 6.454 50 0 JKAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccccc3SC[C@H]3CCCO3)c2)cc1 ZINC000009197900 554969344 /nfs/dbraw/zinc/96/93/44/554969344.db2.gz HNTGVRDJWXJXCR-OAQYLSRUSA-N -1 1 498.626 5.019 50 0 JKAAMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 ZINC000009198501 554969950 /nfs/dbraw/zinc/96/99/50/554969950.db2.gz VSNWOFAPGDQFNI-MRXNPFEDSA-N -1 1 493.976 5.236 50 0 JKAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009203091 554973343 /nfs/dbraw/zinc/97/33/43/554973343.db2.gz YQJJOXWLWWYNMK-LJQANCHMSA-N -1 1 477.611 5.117 50 0 JKAAMM COc1ccc(NC(=O)N([O-])[C@@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1Cl ZINC000009243789 555019286 /nfs/dbraw/zinc/01/92/86/555019286.db2.gz YUILPQUYJLBEKJ-KRWDZBQOSA-N -1 1 452.001 5.210 50 0 JKAAMM COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000009313870 555089339 /nfs/dbraw/zinc/08/93/39/555089339.db2.gz SFXRAKLNRVSUGO-UHFFFAOYSA-N -1 1 493.507 5.191 50 0 JKAAMM Cc1ccc(SCc2cc(=O)[n-]c(Sc3c(=O)[nH]c4ccccc4c3-c3ccccc3)n2)cc1 ZINC000009334747 555102265 /nfs/dbraw/zinc/10/22/65/555102265.db2.gz HXLHMAWYUZRYKA-UHFFFAOYSA-N -1 1 483.618 6.443 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(OCc4cscn4)cc3)c2)c1 ZINC000009338398 555106615 /nfs/dbraw/zinc/10/66/15/555106615.db2.gz FJJRLKHXBDJBAO-UHFFFAOYSA-N -1 1 493.610 5.392 50 0 JKAAMM Nc1ncc(Oc2ccccc2Br)c(-c2ccc(OCc3ccccc3F)cc2[O-])n1 ZINC000009344583 555109809 /nfs/dbraw/zinc/10/98/09/555109809.db2.gz DFQPFDFCCSMLBE-UHFFFAOYSA-N -1 1 482.309 5.704 50 0 JKAAMM CC1(C)SC(=S)N(Cc2ccc(F)cc2)[C@@H]1N([O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009380721 555142409 /nfs/dbraw/zinc/14/24/09/555142409.db2.gz PDMRMXVRGWJSIR-MRXNPFEDSA-N -1 1 473.517 5.706 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nc1[O-])Nc1ccc(F)cc1 ZINC000009386465 555149163 /nfs/dbraw/zinc/14/91/63/555149163.db2.gz MGIIZKZTQHCLQE-PZJWPPBQSA-N -1 1 496.951 5.250 50 0 JKAAMM Cc1ccc(-c2nc3cccnc3s2)cc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000009403989 555162286 /nfs/dbraw/zinc/16/22/86/555162286.db2.gz GVPNIARUEXXADE-UHFFFAOYSA-N -1 1 473.579 6.260 50 0 JKAAMM Cc1c(C(=O)Nc2ccc(C)cc2)sc2[n-]c(-c3cc4cc(Cl)ccc4oc3=O)nc(=O)c12 ZINC000009405633 555164872 /nfs/dbraw/zinc/16/48/72/555164872.db2.gz VPVOWTDSIBNJMO-UHFFFAOYSA-N -1 1 477.929 5.281 50 0 JKAAMM COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])cc1 ZINC000009409733 555174886 /nfs/dbraw/zinc/17/48/86/555174886.db2.gz VUQLBFQNBILEPB-UHFFFAOYSA-N -1 1 467.884 5.604 50 0 JKAAMM COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(F)cc2Cl)cc1[O-] ZINC000009410114 555175953 /nfs/dbraw/zinc/17/59/53/555175953.db2.gz KCITWXMMGGBYPP-UHFFFAOYSA-N -1 1 467.884 5.604 50 0 JKAAMM COc1cccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(Br)o2)c1 ZINC000009413767 555180628 /nfs/dbraw/zinc/18/06/28/555180628.db2.gz KYCJZYIAZCEDEA-UHFFFAOYSA-N -1 1 455.264 5.302 50 0 JKAAMM O=C(CCC(=O)c1cccs1)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000009444340 555217371 /nfs/dbraw/zinc/21/73/71/555217371.db2.gz UUDUOBGRINBOOR-UHFFFAOYSA-N -1 1 482.505 5.169 50 0 JKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000009468193 555247188 /nfs/dbraw/zinc/24/71/88/555247188.db2.gz YTYGWBDGVYCCLF-JOCHJYFZSA-N -1 1 477.611 5.383 50 0 JKAAMM O=C(Cc1cccs1)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000009491008 555267524 /nfs/dbraw/zinc/26/75/24/555267524.db2.gz PWJRDXIISLYBDG-UHFFFAOYSA-N -1 1 454.545 5.045 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000009508806 555295507 /nfs/dbraw/zinc/29/55/07/555295507.db2.gz DHIMLBYLRYBWTC-UHFFFAOYSA-N -1 1 451.935 5.250 50 0 JKAAMM COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(Br)o2)c1 ZINC000009518432 555313374 /nfs/dbraw/zinc/31/33/74/555313374.db2.gz RPBBJFZEDIUOSG-UHFFFAOYSA-N -1 1 485.290 5.310 50 0 JKAAMM COc1ccc2c(CNCc3ccccc3Br)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000009532614 555327713 /nfs/dbraw/zinc/32/77/13/555327713.db2.gz IHDYZKHRUFBDAQ-UHFFFAOYSA-N -1 1 479.374 5.449 50 0 JKAAMM O=C(Nc1ccccc1F)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000013145913 555344117 /nfs/dbraw/zinc/34/41/17/555344117.db2.gz ZXNGOOUNENVEJY-UHFFFAOYSA-N -1 1 454.310 5.577 50 0 JKAAMM O=C1N[C@H](c2cccc(Oc3ccccc3)c2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000009637497 555345045 /nfs/dbraw/zinc/34/50/45/555345045.db2.gz RHFMOOIGEUEFAI-MZKRTTBSSA-N -1 1 490.865 5.236 50 0 JKAAMM CC(C)(C)c1ccc(OCCSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000009640881 555351440 /nfs/dbraw/zinc/35/14/40/555351440.db2.gz FHMCPSDZBYWRFI-UHFFFAOYSA-N -1 1 454.983 5.207 50 0 JKAAMM CCOc1ccc2nc(NC(=O)c3cc4ccc([O-])cc4o/c3=N\c3cccc(C)c3)sc2c1 ZINC000009660264 555363954 /nfs/dbraw/zinc/36/39/54/555363954.db2.gz ABAPUNXDAKOAIF-RFBIWTDZSA-N -1 1 471.538 5.940 50 0 JKAAMM COc1ccc(-c2cc(=O)c3cc([N-]S(=O)(=O)c4ccc(Br)cc4)ccc3o2)cc1 ZINC000009572650 555369605 /nfs/dbraw/zinc/36/96/05/555369605.db2.gz FUEUQDVRWNPQIQ-UHFFFAOYSA-N -1 1 486.343 5.032 50 0 biogenic JKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccc(Br)s1 ZINC000013304312 555374321 /nfs/dbraw/zinc/37/43/21/555374321.db2.gz DWBONOWWBQMMBH-UHFFFAOYSA-N -1 1 471.785 5.217 50 0 JKAAMM O=C(NCc1ccco1)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CCC1 ZINC000013351024 555380584 /nfs/dbraw/zinc/38/05/84/555380584.db2.gz BOKKPUMNQDVREM-UHFFFAOYSA-N -1 1 492.641 5.866 50 0 JKAAMM Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)c1 ZINC000009579511 555383242 /nfs/dbraw/zinc/38/32/42/555383242.db2.gz XEGLWNHCGWXCLR-UHFFFAOYSA-N -1 1 465.358 5.120 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000009579563 555383264 /nfs/dbraw/zinc/38/32/64/555383264.db2.gz JFFMRYSQGDZEAL-UHFFFAOYSA-N -1 1 484.883 5.421 50 0 JKAAMM Cc1nc(SCc2c(Cl)cccc2Cl)[n-]c(=O)c1Cc1c(Cl)cccc1Cl ZINC000013468236 555402197 /nfs/dbraw/zinc/40/21/97/555402197.db2.gz YKGZMELCSIWPND-UHFFFAOYSA-N -1 1 460.213 6.987 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009679533 555406427 /nfs/dbraw/zinc/40/64/27/555406427.db2.gz SUIHTGIPJBUETA-RUZDIDTESA-N -1 1 469.541 5.894 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679572 555406814 /nfs/dbraw/zinc/40/68/14/555406814.db2.gz PBNGNLBEGSUTFF-QFIPXVFZSA-N -1 1 463.946 5.718 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679572 555406816 /nfs/dbraw/zinc/40/68/16/555406816.db2.gz PBNGNLBEGSUTFF-QFIPXVFZSA-N -1 1 463.946 5.718 50 0 JKAAMM Cc1cc([O-])c([C@@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=O)o1 ZINC000009595374 555411868 /nfs/dbraw/zinc/41/18/68/555411868.db2.gz HQIDMHUMELDAAM-DEOSSOPVSA-N -1 1 463.618 6.201 50 0 JKAAMM Cc1cc([O-])c([C@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=O)o1 ZINC000009595379 555411921 /nfs/dbraw/zinc/41/19/21/555411921.db2.gz HQIDMHUMELDAAM-XMMPIXPASA-N -1 1 463.618 6.201 50 0 JKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000009597267 555414117 /nfs/dbraw/zinc/41/41/17/555414117.db2.gz ARBOYSYJLDCKLR-DQEYMECFSA-N -1 1 498.608 5.263 50 0 JKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000009597354 555414321 /nfs/dbraw/zinc/41/43/21/555414321.db2.gz XUARRMJPEPLLRC-DQEYMECFSA-N -1 1 498.608 5.182 50 0 JKAAMM COc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c(OC)c1 ZINC000009601231 555425743 /nfs/dbraw/zinc/42/57/43/555425743.db2.gz JIMTZZFMKYBSCO-UHFFFAOYSA-N -1 1 496.567 5.283 50 0 JKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc4ccccc4o3)ccc2N2CCCC2)cc1 ZINC000009712067 555435371 /nfs/dbraw/zinc/43/53/71/555435371.db2.gz WFHKGOHBTJRSDS-UHFFFAOYSA-N -1 1 491.569 5.095 50 0 JKAAMM CC1(C)Cc2nc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)sc2C(=O)C1 ZINC000009714837 555445368 /nfs/dbraw/zinc/44/53/68/555445368.db2.gz RPVDEFDSTLYLJW-UHFFFAOYSA-N -1 1 490.006 5.005 50 0 JKAAMM Cc1nc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)[n-]c(=O)c1Cc1ccccc1 ZINC000013517250 555485411 /nfs/dbraw/zinc/48/54/11/555485411.db2.gz WOTDBNCMHNQEOI-UHFFFAOYSA-N -1 1 485.996 6.395 50 0 JKAAMM CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)cc1Br ZINC000009779814 555499244 /nfs/dbraw/zinc/49/92/44/555499244.db2.gz WBUIPTJRIGFJKP-UHFFFAOYSA-N -1 1 487.737 6.267 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)ccc2C)c1 ZINC000009834306 555537895 /nfs/dbraw/zinc/53/78/95/555537895.db2.gz GVRVSELRGVPGAW-UHFFFAOYSA-N -1 1 489.553 5.202 50 0 JKAAMM CCOC(=O)c1c(C)n(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)[N-]c1ccccc1Cl ZINC000019924703 555540416 /nfs/dbraw/zinc/54/04/16/555540416.db2.gz GKPNUOODESYWMA-UHFFFAOYSA-N -1 1 495.000 6.084 50 0 JKAAMM CN1c2ccccc2C(C)(C)[C@]12Cc1cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc1O2 ZINC000009994582 555588424 /nfs/dbraw/zinc/58/84/24/555588424.db2.gz IKKXKSJKJOWVEQ-MUUNZHRXSA-N -1 1 470.594 5.699 50 0 JKAAMM CN1c2ccccc2C(C)(C)[C@@]12Cc1cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc1O2 ZINC000009994584 555588433 /nfs/dbraw/zinc/58/84/33/555588433.db2.gz IKKXKSJKJOWVEQ-NDEPHWFRSA-N -1 1 470.594 5.699 50 0 JKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000013739042 555606420 /nfs/dbraw/zinc/60/64/20/555606420.db2.gz PNDSLCYIMIPZSL-JOCHJYFZSA-N -1 1 498.505 6.176 50 0 JKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)oc2cc1[O-] ZINC000013756300 555610653 /nfs/dbraw/zinc/61/06/53/555610653.db2.gz VBFZQOSZXNPSII-UHFFFAOYSA-N -1 1 484.415 7.174 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccccc1C ZINC000010060047 555612036 /nfs/dbraw/zinc/61/20/36/555612036.db2.gz RJZVKXHPMXSFBH-UHFFFAOYSA-N -1 1 464.465 5.076 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccccc1C ZINC000010060048 555612054 /nfs/dbraw/zinc/61/20/54/555612054.db2.gz BTCGPERMFDODHF-UHFFFAOYSA-N -1 1 498.910 5.729 50 0 JKAAMM O=C(Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1)c1ccco1 ZINC000010109402 555618786 /nfs/dbraw/zinc/61/87/86/555618786.db2.gz FPLPFXLYFJWOCE-UHFFFAOYSA-N -1 1 495.944 5.238 50 0 JKAAMM CC(C)(C)c1ccc(-c2csc(NC(=O)c3cc4ccc([O-])cc4o/c3=N\c3ccccc3)n2)cc1 ZINC000013894994 555642582 /nfs/dbraw/zinc/64/25/82/555642582.db2.gz IDDHVSCDAIIWNT-IKPAITLHSA-N -1 1 495.604 7.044 50 0 JKAAMM COc1cccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000013936159 555648521 /nfs/dbraw/zinc/64/85/21/555648521.db2.gz ISYNGIZFASVXBI-UHFFFAOYSA-N -1 1 482.414 5.612 50 0 JKAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1 ZINC000013936095 555648531 /nfs/dbraw/zinc/64/85/31/555648531.db2.gz UOGDZKBTGBMEIA-UHFFFAOYSA-N -1 1 453.923 5.228 50 0 JKAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000013936117 555648549 /nfs/dbraw/zinc/64/85/49/555648549.db2.gz DVFINXMPNRLGQU-UHFFFAOYSA-N -1 1 485.940 5.969 50 0 JKAAMM Cc1ccc(C)c(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000013936175 555648938 /nfs/dbraw/zinc/64/89/38/555648938.db2.gz BUXGVEFMXRDJGY-UHFFFAOYSA-N -1 1 480.442 6.220 50 0 JKAAMM 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WHVFLSPQEJUPEO-UHFFFAOYSA-N -1 1 498.548 5.232 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2C)c1 ZINC000013072020 556270458 /nfs/dbraw/zinc/27/04/58/556270458.db2.gz PVIRFRJQQGKAAA-UHFFFAOYSA-N -1 1 479.385 5.429 50 0 JKAAMM CCCCCCc1cc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccccc3C)oc2cc1[O-] ZINC000027519154 556282492 /nfs/dbraw/zinc/28/24/92/556282492.db2.gz DGBJSVJYBSICRH-OVXWJCGASA-N -1 1 451.570 7.345 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018102936 556288136 /nfs/dbraw/zinc/28/81/36/556288136.db2.gz XYZIWRRLWQCUOS-VJGNERBWSA-N -1 1 486.568 5.098 50 0 JKAAMM Cc1ccc(SCc2cc(=O)[n-]c(SCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 ZINC000018106937 556288420 /nfs/dbraw/zinc/28/84/20/556288420.db2.gz GMXOVSWRMQJDGU-UHFFFAOYSA-N -1 1 466.415 5.821 50 0 JKAAMM O=C1[N-]C(=S)SC1=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000027527579 556288442 /nfs/dbraw/zinc/28/84/42/556288442.db2.gz VAUGAAAQKUADKV-ZSOIEALJSA-N -1 1 485.222 6.120 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)COc3ccc(Cl)cc3C)c2)c1 ZINC000013098084 556296360 /nfs/dbraw/zinc/29/63/60/556296360.db2.gz CHNXNEPOGXJBFC-UHFFFAOYSA-N -1 1 458.967 5.084 50 0 JKAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCC[C@@H]1c1cccs1 ZINC000013100562 556300084 /nfs/dbraw/zinc/30/00/84/556300084.db2.gz GVDLNXGBTKWQAF-HXUWFJFHSA-N -1 1 494.560 5.474 50 0 JKAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc3c(cc2SC2CCCCC2)n(C)c(=O)n3C)c1 ZINC000028049248 556314263 /nfs/dbraw/zinc/31/42/63/556314263.db2.gz OFRLBGVHEJXIRD-UHFFFAOYSA-N -1 1 473.664 5.028 50 0 JKAAMM CC(C)CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])cc1 ZINC000013129411 556352468 /nfs/dbraw/zinc/35/24/68/556352468.db2.gz HFXGBNYVKNORDK-UHFFFAOYSA-N -1 1 488.993 5.524 50 0 JKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000032088968 556414249 /nfs/dbraw/zinc/41/42/49/556414249.db2.gz HSOXSIVSSBTFTL-UHFFFAOYSA-N -1 1 476.286 5.870 50 0 JKAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc(-c4cc(F)ccc4Br)nc3c2)cc1 ZINC000032915881 556539607 /nfs/dbraw/zinc/53/96/07/556539607.db2.gz OSCMTBXKRCQHCJ-UHFFFAOYSA-N -1 1 489.322 5.400 50 0 JKAAMM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc21 ZINC000032943882 556556022 /nfs/dbraw/zinc/55/60/22/556556022.db2.gz IHGAWCLKYNVXIO-JTQLQIEISA-N -1 1 464.918 5.007 50 0 JKAAMM CCOc1ccc(-n2c3nc(SCc4cccc(Cl)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948215 556563153 /nfs/dbraw/zinc/56/31/53/556563153.db2.gz FPPSEVUOURZWGN-UHFFFAOYSA-N -1 1 462.021 5.849 50 0 JKAAMM Cc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000032948367 556563752 /nfs/dbraw/zinc/56/37/52/556563752.db2.gz NEMKTIDDFIMMIE-UHFFFAOYSA-N -1 1 475.020 5.197 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(c4ccccc24)O[C@]2(C3)N(C)c3ccccc3C2(C)C)c(C)c1 ZINC000006229105 562937244 /nfs/dbraw/zinc/93/72/44/562937244.db2.gz JOZGUXBYOKVOBC-PMERELPUSA-N -1 1 498.648 6.316 50 0 JKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(OC)cc3)ccc2oc1-c1ccccc1 ZINC000008439279 562939311 /nfs/dbraw/zinc/93/93/11/562939311.db2.gz DWTIYXVTQFXHMQ-UHFFFAOYSA-N -1 1 451.500 5.086 50 0 aggregator JKAAMM CCOc1cccc2cc(-c3nc(=O)c4c(C)c(C(=O)Nc5ccc(C)cc5)sc4[n-]3)c(=O)oc21 ZINC000008588210 562941346 /nfs/dbraw/zinc/94/13/46/562941346.db2.gz MQSKJACNECVHLU-UHFFFAOYSA-N -1 1 487.537 5.026 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000008595442 562943838 /nfs/dbraw/zinc/94/38/38/562943838.db2.gz MSYQTUROBYMOKW-JOCHJYFZSA-N -1 1 498.391 6.372 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000008595442 562943840 /nfs/dbraw/zinc/94/38/40/562943840.db2.gz MSYQTUROBYMOKW-JOCHJYFZSA-N -1 1 498.391 6.372 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2ccc(CC)cc2)cc1 ZINC000008595850 562944210 /nfs/dbraw/zinc/94/42/10/562944210.db2.gz WFJLFBQLTHWGEQ-DEOSSOPVSA-N -1 1 457.555 5.627 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2ccc(CC)cc2)cc1 ZINC000008595850 562944212 /nfs/dbraw/zinc/94/42/12/562944212.db2.gz WFJLFBQLTHWGEQ-DEOSSOPVSA-N -1 1 457.555 5.627 50 0 JKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(-c2ccc(Br)cc2)s1 ZINC000008670388 562949114 /nfs/dbraw/zinc/94/91/14/562949114.db2.gz QGAURVOEYCGHIR-UHFFFAOYSA-N -1 1 475.755 5.837 50 0 aggregator JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cc2c(s1)CCCC2 ZINC000008692342 562954251 /nfs/dbraw/zinc/95/42/51/562954251.db2.gz OOQZZTUJCFTHBO-UHFFFAOYSA-N -1 1 461.008 5.642 50 0 aggregator JKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008735682 569601977 /nfs/dbraw/zinc/60/19/77/569601977.db2.gz LCFQAVXMORLZAL-WAOWUJCRSA-N -1 1 499.272 5.357 50 0 JKAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000033007678 569615632 /nfs/dbraw/zinc/61/56/32/569615632.db2.gz PYJIQLRLZHMYDK-UHFFFAOYSA-N -1 1 457.964 5.311 50 0 JKAAMM COc1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008003 569615783 /nfs/dbraw/zinc/61/57/83/569615783.db2.gz QUOGNNRSOHGIFQ-UHFFFAOYSA-N -1 1 495.626 5.557 50 0 JKAAMM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008021 569615844 /nfs/dbraw/zinc/61/58/44/569615844.db2.gz WAANIUOLWCXVGH-UHFFFAOYSA-N -1 1 487.990 5.320 50 0 JKAAMM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000064558227 569618544 /nfs/dbraw/zinc/61/85/44/569618544.db2.gz YLWVXPOOLGPLPO-VWLOTQADSA-N -1 1 475.610 6.012 50 0 JKAAMM CSc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000064558156 569618607 /nfs/dbraw/zinc/61/86/07/569618607.db2.gz LIVZNJPGXGBRAD-NRFANRHFSA-N -1 1 451.569 5.048 50 0 JKAAMM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000064558225 569618620 /nfs/dbraw/zinc/61/86/20/569618620.db2.gz YLWVXPOOLGPLPO-RUZDIDTESA-N -1 1 475.610 6.012 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000033025776 569620629 /nfs/dbraw/zinc/62/06/29/569620629.db2.gz RHPXFJJBTXVEAT-UHFFFAOYSA-N -1 1 465.018 7.337 50 0 JKAAMM Cc1ccc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc(=O)n2c1 ZINC000033026191 569620919 /nfs/dbraw/zinc/62/09/19/569620919.db2.gz HNIONNIFOWNMAN-UHFFFAOYSA-N -1 1 493.654 5.295 50 0 JKAAMM Cc1ccc2nc(CSc3ccccc3[N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc(=O)n2c1 ZINC000033026180 569621035 /nfs/dbraw/zinc/62/10/35/569621035.db2.gz AKUMREIYGCMWMT-UHFFFAOYSA-N -1 1 479.627 5.021 50 0 JKAAMM Cc1cccn2c(=O)cc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(CC(C)C)cc3)nc12 ZINC000033026284 569621142 /nfs/dbraw/zinc/62/11/42/569621142.db2.gz WTFMOYFAHUISJA-UHFFFAOYSA-N -1 1 493.654 5.295 50 0 JKAAMM Cc1ccn2c(=O)cc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(CC(C)C)cc3)nc2c1 ZINC000033026246 569621154 /nfs/dbraw/zinc/62/11/54/569621154.db2.gz DLWFIUJJJMKNPR-UHFFFAOYSA-N -1 1 493.654 5.295 50 0 JKAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000033124032 569621665 /nfs/dbraw/zinc/62/16/65/569621665.db2.gz JELRZPZNMKSTKI-UHFFFAOYSA-N -1 1 471.991 5.766 50 0 JKAAMM CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)[N-]c3ccc(-c4nc5ccccc5s4)cc3C)cc21 ZINC000033124042 569621674 /nfs/dbraw/zinc/62/16/74/569621674.db2.gz AXYLORATHUKSPR-MRXNPFEDSA-N -1 1 493.610 5.206 50 0 JKAAMM Cc1cccc(N2CCN(c3nc(=O)c4scc(-c5ccc(Cl)cc5)c4[n-]3)C[C@H]2C)c1 ZINC000064611600 569622940 /nfs/dbraw/zinc/62/29/40/569622940.db2.gz JDDGHNJGEUGMIM-MRXNPFEDSA-N -1 1 450.995 5.329 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCc4ccccc4Cl)C2)nc3=O)cc1 ZINC000064611688 569623069 /nfs/dbraw/zinc/62/30/69/569623069.db2.gz JYQIKANHYVYGGK-IBGZPJMESA-N -1 1 493.032 5.146 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCc4ccccc4Cl)C2)nc3=O)cc1 ZINC000064611691 569623095 /nfs/dbraw/zinc/62/30/95/569623095.db2.gz JYQIKANHYVYGGK-LJQANCHMSA-N -1 1 493.032 5.146 50 0 JKAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000033503015 569627162 /nfs/dbraw/zinc/62/71/62/569627162.db2.gz LHRKMYZJFUUQMW-RQZCQDPDSA-N -1 1 482.505 5.451 50 0 JKAAMM Cc1cc(OCc2ccc(-c3n[n-]c(=S)n3CCCN3CCOCC3)cc2)cc(C)c1Cl ZINC000033797134 569635311 /nfs/dbraw/zinc/63/53/11/569635311.db2.gz LVZFQYXLMXTPSK-UHFFFAOYSA-N -1 1 473.042 5.179 50 0 JKAAMM CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cccc(C(C)C)c3)c1)NC(=O)CCC2=O ZINC000065011134 569648339 /nfs/dbraw/zinc/64/83/39/569648339.db2.gz AYHIJUMHJPQVLJ-UHFFFAOYSA-N -1 1 494.617 5.108 50 0 JKAAMM CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(C)n2C)nc1C ZINC000065036548 569653452 /nfs/dbraw/zinc/65/34/52/569653452.db2.gz HKXSSKYHIIVSTB-UHFFFAOYSA-N -1 1 495.070 5.010 50 0 JKAAMM CC(C)c1ccc(CN2CCCN(c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000034737575 569654521 /nfs/dbraw/zinc/65/45/21/569654521.db2.gz QDNVFJMGMSDOFG-UHFFFAOYSA-N -1 1 498.048 6.097 50 0 JKAAMM O=C1N(Cc2ccc(Cl)c(Cl)c2)CCCN1c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000034737679 569654542 /nfs/dbraw/zinc/65/45/42/569654542.db2.gz BWMYCHORVNYSMH-UHFFFAOYSA-N -1 1 490.412 5.627 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000034737708 569654592 /nfs/dbraw/zinc/65/45/92/569654592.db2.gz DYZSCQLHHPGEID-UHFFFAOYSA-N -1 1 467.566 5.076 50 0 JKAAMM O=C(NC1CCCC1)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059751 569654975 /nfs/dbraw/zinc/65/49/75/569654975.db2.gz RCXXHQTYVZWHEB-UHFFFAOYSA-N -1 1 471.966 5.001 50 0 JKAAMM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccccc3Cl)c2)sc1C(=O)N1CCCCC1 ZINC000065117154 569666980 /nfs/dbraw/zinc/66/69/80/569666980.db2.gz FIICVHBYTFFLKC-UHFFFAOYSA-N -1 1 482.052 5.260 50 0 JKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)ccc2C)cc1 ZINC000034890245 569669268 /nfs/dbraw/zinc/66/92/68/569669268.db2.gz BEDKMPBDZRSATI-UHFFFAOYSA-N -1 1 471.582 6.100 50 0 JKAAMM O=c1cc(-c2ccc(Cl)cc2)nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[n-]1 ZINC000065330968 569675093 /nfs/dbraw/zinc/67/50/93/569675093.db2.gz HXBNYZWDVGVGEB-UHFFFAOYSA-N -1 1 464.856 5.864 50 0 JKAAMM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OC(=C([O-])c3cccs3)c3cccs3)C2)cc1 ZINC000065563369 569675959 /nfs/dbraw/zinc/67/59/59/569675959.db2.gz PBUPUTXKPHNVJL-XMSQKQJNSA-N -1 1 453.585 5.138 50 0 JKAAMM Cc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1C(=O)c1ccccc1 ZINC000035684004 569706660 /nfs/dbraw/zinc/70/66/60/569706660.db2.gz WTPMNHPIBRKEIG-NDEPHWFRSA-N -1 1 495.604 5.787 50 0 JKAAMM O=C(c1ccccc1)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccco1 ZINC000035683990 569706662 /nfs/dbraw/zinc/70/66/62/569706662.db2.gz CSMKXXLFPDYSDQ-DEOSSOPVSA-N -1 1 471.538 5.072 50 0 JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cccc3ccccc32)cc1 ZINC000085877988 569716051 /nfs/dbraw/zinc/71/60/51/569716051.db2.gz LMBALRLGSQCFTD-OAQYLSRUSA-N -1 1 464.473 5.768 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(OCC(C)C)cc3)CC(=O)O4)c2=O)cc1 ZINC000085879647 569716244 /nfs/dbraw/zinc/71/62/44/569716244.db2.gz OGUMTHYLLNJXII-OAQYLSRUSA-N -1 1 486.520 5.650 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OCC(C)C)cc2)cc1 ZINC000085879647 569716246 /nfs/dbraw/zinc/71/62/46/569716246.db2.gz OGUMTHYLLNJXII-OAQYLSRUSA-N -1 1 486.520 5.650 50 0 biogenic JKAAMM CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000086057466 569717313 /nfs/dbraw/zinc/71/73/13/569717313.db2.gz ZDHUVHVAVTVXSS-GOSISDBHSA-N -1 1 469.994 5.369 50 0 JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(F)c(F)c2F)cc1 ZINC000095480029 569724638 /nfs/dbraw/zinc/72/46/38/569724638.db2.gz KZCFFJJSTJOZNF-CQSZACIVSA-N -1 1 468.383 5.033 50 0 JKAAMM CC[C@@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2O[C@@H](C)C1=O ZINC000035910061 569725267 /nfs/dbraw/zinc/72/52/67/569725267.db2.gz LAQLNAWDQZSLNJ-UUOWRZLLSA-N -1 1 482.577 5.196 50 0 JKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc([C@H]3SCC(=O)N3c3ccc(F)cc3)cc2)cc1 ZINC000035910269 569725560 /nfs/dbraw/zinc/72/55/60/569725560.db2.gz YVZXBSMKQFASDF-XMMPIXPASA-N -1 1 484.618 5.703 50 0 JKAAMM O=C1CS[C@H](c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)N1c1ccc(F)cc1 ZINC000035910275 569725576 /nfs/dbraw/zinc/72/55/76/569725576.db2.gz XYBNBSQBAGYIKE-OAQYLSRUSA-N -1 1 462.955 5.059 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3SCC(=O)N3c3ccc(C)c(C)c3)c2)cc1 ZINC000035910955 569726229 /nfs/dbraw/zinc/72/62/29/569726229.db2.gz NVRUGWRQUYMJNC-XMMPIXPASA-N -1 1 452.601 5.191 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)cc1 ZINC000035910970 569726238 /nfs/dbraw/zinc/72/62/38/569726238.db2.gz VRXHVMNSRWUMOR-AREMUKBSSA-N -1 1 474.607 5.728 50 0 JKAAMM COc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000035910983 569726244 /nfs/dbraw/zinc/72/62/44/569726244.db2.gz QZNLDIMFIVFLHT-RUZDIDTESA-N -1 1 496.654 5.572 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 ZINC000035912481 569727545 /nfs/dbraw/zinc/72/75/45/569727545.db2.gz APWJLBKDNUWAQE-QHCPKHFHSA-N -1 1 473.019 5.536 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C ZINC000035912497 569727599 /nfs/dbraw/zinc/72/75/99/569727599.db2.gz XSKBRPBREXLTJH-SANMLTNESA-N -1 1 494.682 6.180 50 0 JKAAMM CCc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000035912513 569727631 /nfs/dbraw/zinc/72/76/31/569727631.db2.gz FDIJYOABHVTWEP-QHCPKHFHSA-N -1 1 473.019 5.482 50 0 JKAAMM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](O)CC([O-])(C(F)(F)F)C(F)(F)F ZINC000095680473 569728502 /nfs/dbraw/zinc/72/85/02/569728502.db2.gz OHKBOEWLASAFLW-FJWDNACWSA-N -1 1 484.521 5.533 50 0 in-vitro JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)S1 ZINC000096116609 569735425 /nfs/dbraw/zinc/73/54/25/569735425.db2.gz IWJRWEXSYILGGN-HNAYVOBHSA-N -1 1 457.987 5.236 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(OCc3ccccn3)cc2)S1 ZINC000096117164 569735550 /nfs/dbraw/zinc/73/55/50/569735550.db2.gz UFQMHRUCSVCBSM-SIKLNZKXSA-N -1 1 464.591 5.167 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(OCc3ccccn3)cc2)S1 ZINC000096117163 569735552 /nfs/dbraw/zinc/73/55/52/569735552.db2.gz UFQMHRUCSVCBSM-DENIHFKCSA-N -1 1 464.591 5.167 50 0 JKAAMM CN(C)c1nc2ccccc2cc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096221419 569738828 /nfs/dbraw/zinc/73/88/28/569738828.db2.gz BUNHYUCSPJFINW-SFHVURJKSA-N -1 1 478.504 5.221 50 0 biogenic JKAAMM CN(C)c1nc2ccccc2cc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096221419 569738829 /nfs/dbraw/zinc/73/88/29/569738829.db2.gz BUNHYUCSPJFINW-SFHVURJKSA-N -1 1 478.504 5.221 50 0 biogenic JKAAMM O=C(Cc1sc(Nc2ccc(Oc3ccccc3)cc2)nc1[O-])Nc1ccccc1Cl ZINC000096580249 569741673 /nfs/dbraw/zinc/74/16/73/569741673.db2.gz IKTVKPHNXJZKCG-HXUWFJFHSA-N -1 1 451.935 5.571 50 0 JKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000096791726 569743054 /nfs/dbraw/zinc/74/30/54/569743054.db2.gz GXPWKMBLSASAPE-VJGNERBWSA-N -1 1 486.568 5.234 50 0 JKAAMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072945 569750273 /nfs/dbraw/zinc/75/02/73/569750273.db2.gz AERMHSAPSHAPEW-UHFFFAOYSA-N -1 1 482.627 5.941 50 0 JKAAMM COc1cccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1 ZINC000100141805 569753688 /nfs/dbraw/zinc/75/36/88/569753688.db2.gz CWXOGTLMZSDICO-UHFFFAOYSA-N -1 1 466.541 5.275 50 0 JKAAMM Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccnc2)cc1 ZINC000100426036 569760191 /nfs/dbraw/zinc/76/01/91/569760191.db2.gz AQURXAZLEXEGHY-ONOMSOESSA-N -1 1 481.552 5.805 50 0 JKAAMM Cc1ccc(NC(=O)c2nc[n-]c2N=c2scc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000101388446 569795690 /nfs/dbraw/zinc/79/56/90/569795690.db2.gz HGNXHLQFOKYMIQ-QVTSOHHYSA-N -1 1 465.582 6.030 50 0 JKAAMM Cc1ccc(NC(=O)c2[n-]cnc2N=c2scc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000101388446 569795692 /nfs/dbraw/zinc/79/56/92/569795692.db2.gz HGNXHLQFOKYMIQ-QVTSOHHYSA-N -1 1 465.582 6.030 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=S ZINC000101495173 569800086 /nfs/dbraw/zinc/80/00/86/569800086.db2.gz LQCXGCKLMUIWFI-HXUWFJFHSA-N -1 1 467.616 5.778 50 0 JKAAMM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=S ZINC000101494889 569800117 /nfs/dbraw/zinc/80/01/17/569800117.db2.gz SWHFUDVWUMDZEB-MRXNPFEDSA-N -1 1 474.405 5.269 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(C(C)C)cc3)C2)c(=O)[nH]c1=S ZINC000101495352 569800295 /nfs/dbraw/zinc/80/02/95/569800295.db2.gz UYCIXHGAVYINJC-JOCHJYFZSA-N -1 1 479.671 6.893 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c(=O)[nH]c1=S ZINC000101495469 569800406 /nfs/dbraw/zinc/80/04/06/569800406.db2.gz JMGPOMKVNAUASZ-FQEVSTJZSA-N -1 1 481.599 5.498 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(OCC)cc3)C2)c(=O)[nH]c1=S ZINC000101495233 569800450 /nfs/dbraw/zinc/80/04/50/569800450.db2.gz GEQLCYLTWRTJAS-OAQYLSRUSA-N -1 1 481.643 6.168 50 0 JKAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101495460 569800488 /nfs/dbraw/zinc/80/04/88/569800488.db2.gz JQSVMVKNLCFUOE-XMMPIXPASA-N -1 1 499.592 5.215 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(C(C)C)cc3)C2)c(=O)[nH]c1=S ZINC000101495351 569800522 /nfs/dbraw/zinc/80/05/22/569800522.db2.gz UYCIXHGAVYINJC-QFIPXVFZSA-N -1 1 479.671 6.893 50 0 JKAAMM CC(C)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101766645 569804815 /nfs/dbraw/zinc/80/48/15/569804815.db2.gz QNGUMYWJPUCYBV-DEOSSOPVSA-N -1 1 489.641 6.229 50 0 JKAAMM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c(=O)n1C1CCCCC1 ZINC000101766667 569804855 /nfs/dbraw/zinc/80/48/55/569804855.db2.gz IBJVGOHBTUTGPR-LJQANCHMSA-N -1 1 453.589 5.167 50 0 JKAAMM Cc1cc(C)cc(-n2c(=O)[nH]c(=O)c(C3=Nc4ccccc4S[C@@H](c4cccs4)C3)c2[O-])c1 ZINC000101766819 569804949 /nfs/dbraw/zinc/80/49/49/569804949.db2.gz DSJWGWPXLGOSRS-OAQYLSRUSA-N -1 1 475.595 5.268 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=S ZINC000101767096 569804988 /nfs/dbraw/zinc/80/49/88/569804988.db2.gz GBFDEFSCHARRBH-OAQYLSRUSA-N -1 1 497.642 5.787 50 0 JKAAMM Cc1cc(C)cc(-n2c(=O)[nH]c(=O)c(C3=Nc4ccccc4S[C@H](c4cccs4)C3)c2[O-])c1 ZINC000101766812 569805070 /nfs/dbraw/zinc/80/50/70/569805070.db2.gz DSJWGWPXLGOSRS-NRFANRHFSA-N -1 1 475.595 5.268 50 0 JKAAMM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707289 569816518 /nfs/dbraw/zinc/81/65/18/569816518.db2.gz MJOIKRDLSPNTGC-CCDWMCETSA-N -1 1 454.913 5.544 50 0 JKAAMM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000102706835 569816618 /nfs/dbraw/zinc/81/66/18/569816618.db2.gz ROOIBETVYZGEJE-GMQQYTKMSA-N -1 1 464.521 5.290 50 0 JKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102738021 569819009 /nfs/dbraw/zinc/81/90/09/569819009.db2.gz GXPWKMBLSASAPE-ZONZVBGPSA-N -1 1 486.568 5.234 50 0 JKAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2-c2nnc(-c3ccccc3)[nH]2)c1 ZINC000040152017 569820000 /nfs/dbraw/zinc/82/00/00/569820000.db2.gz GMVGGRHDKZNQOC-UHFFFAOYSA-N -1 1 467.558 5.007 50 0 JKAAMM Cc1cccc(C(=O)Nc2ccc(-c3c(-c4cccc(C)c4)[n-]n(-c4ccccc4)c3=O)cc2)c1 ZINC000103174522 569833602 /nfs/dbraw/zinc/83/36/02/569833602.db2.gz KWFAMGLQKNCFKG-UHFFFAOYSA-N -1 1 459.549 6.781 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000104082653 569840573 /nfs/dbraw/zinc/84/05/73/569840573.db2.gz UTCYFHTZJRINDC-AFJIDDCJSA-N -1 1 484.527 6.241 50 0 JKAAMM O=c1oc2ccccc2c(NCc2ccccc2)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000045961926 569841085 /nfs/dbraw/zinc/84/10/85/569841085.db2.gz BZHMEGSICRIQFD-UHFFFAOYSA-N -1 1 491.388 5.030 50 0 JKAAMM C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421199 569846833 /nfs/dbraw/zinc/84/68/33/569846833.db2.gz FFHAUUYEASUADS-DENIHFKCSA-N -1 1 486.641 5.006 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NC4CCCCCC4)C2)nc3=O)cc1 ZINC000049421264 569847020 /nfs/dbraw/zinc/84/70/20/569847020.db2.gz XNONAAJCQIHKTH-IBGZPJMESA-N -1 1 464.635 5.015 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C2)nc3=O)cc1 ZINC000049421291 569847151 /nfs/dbraw/zinc/84/71/51/569847151.db2.gz QVFHDKFNEYURGG-LJQANCHMSA-N -1 1 493.032 5.146 50 0 JKAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@@H](C(=O)NC3CCCCCC3)C1)nc2=O ZINC000049421428 569847371 /nfs/dbraw/zinc/84/73/71/569847371.db2.gz MSGGFKMDXCKOLE-GOSISDBHSA-N -1 1 464.635 5.015 50 0 JKAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@@H](C(=O)NC3CCCCCCC3)C1)nc2=O ZINC000049421430 569847432 /nfs/dbraw/zinc/84/74/32/569847432.db2.gz XEYYGACIGYLNMB-LJQANCHMSA-N -1 1 478.662 5.406 50 0 JKAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@@H](C(=O)NCCC3=CCCCC3)C1)nc2=O ZINC000049421432 569847441 /nfs/dbraw/zinc/84/74/41/569847441.db2.gz TWCHCCHDGNPMHW-HXUWFJFHSA-N -1 1 476.646 5.183 50 0 JKAAMM CC(C)(C)c1cc(N2C(=O)C(c3ccc(Br)cc3)=C([O-])C2=C(O)c2ccccc2)no1 ZINC000137089511 569864840 /nfs/dbraw/zinc/86/48/40/569864840.db2.gz KGILIKLHVCXISF-HXUWFJFHSA-N -1 1 481.346 5.302 50 0 JKAAMM O=C1C([O-])=C(c2ccccc2)C(=C(O)c2ccccc2)N1c1nc2cc(Br)ccc2s1 ZINC000137081600 569864890 /nfs/dbraw/zinc/86/48/90/569864890.db2.gz FCUADCJAIJTKEK-FQEVSTJZSA-N -1 1 491.366 5.626 50 0 JKAAMM Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3C)C([O-])=C2ON1c1ccccc1 ZINC000137978664 569865509 /nfs/dbraw/zinc/86/55/09/569865509.db2.gz XIHVMRAZUQUDDW-UBFVSLLYSA-N -1 1 471.944 5.489 50 0 JKAAMM CC(=O)[C@@H]1C(=C(O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000245312838 570063947 /nfs/dbraw/zinc/06/39/47/570063947.db2.gz XSQCPFOFYOILOK-LCQQBMRFSA-N -1 1 480.539 5.086 50 0 JKAAMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc3ccccc3nc2Cl)cc1 ZINC000245329493 570066357 /nfs/dbraw/zinc/06/63/57/570066357.db2.gz ZQMYTSYIOLXNNG-WXFUMESZSA-N -1 1 469.928 5.248 50 0 JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](c1ccnc3ccccc31)CC(=O)O2 ZINC000253398275 570096243 /nfs/dbraw/zinc/09/62/43/570096243.db2.gz CAURDBJBZNIANF-SFHVURJKSA-N -1 1 469.880 5.808 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000253401224 570096541 /nfs/dbraw/zinc/09/65/41/570096541.db2.gz FLGLRJWTRKAETA-GOSISDBHSA-N -1 1 469.880 5.808 50 0 biogenic JKAAMM CSc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1 ZINC000253401281 570096554 /nfs/dbraw/zinc/09/65/54/570096554.db2.gz FMOLJAPKVSTRIH-QGZVFWFLSA-N -1 1 464.926 5.982 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000253401230 570096564 /nfs/dbraw/zinc/09/65/64/570096564.db2.gz FLGLRJWTRKAETA-SFHVURJKSA-N -1 1 469.880 5.808 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2 ZINC000253410171 570097573 /nfs/dbraw/zinc/09/75/73/570097573.db2.gz MXHMSSXPBFHUFL-INIZCTEOSA-N -1 1 476.868 5.031 50 0 biogenic JKAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1OC ZINC000253413782 570098330 /nfs/dbraw/zinc/09/83/30/570098330.db2.gz VQKIVQJEIITPIO-MRXNPFEDSA-N -1 1 478.884 5.277 50 0 biogenic JKAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)C1)nc2=O ZINC000253496385 570100215 /nfs/dbraw/zinc/10/02/15/570100215.db2.gz YOTUHFMMCNRKFC-WFXMLNOXSA-N -1 1 464.635 5.284 50 0 JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000253623675 570105255 /nfs/dbraw/zinc/10/52/55/570105255.db2.gz FMCAAZWYLLYYCW-MRXNPFEDSA-N -1 1 485.879 5.514 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(SC)cc3)CC(=O)O4)c2=O)cc1OC ZINC000263586876 570172004 /nfs/dbraw/zinc/17/20/04/570172004.db2.gz ZFLRHFSSLDIJRQ-QGZVFWFLSA-N -1 1 490.533 5.346 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(SC)cc2)cc1OC ZINC000263586876 570172006 /nfs/dbraw/zinc/17/20/06/570172006.db2.gz ZFLRHFSSLDIJRQ-QGZVFWFLSA-N -1 1 490.533 5.346 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(SC)cc3)CC(=O)O4)c2=O)cc1OC ZINC000263586875 570172059 /nfs/dbraw/zinc/17/20/59/570172059.db2.gz ZFLRHFSSLDIJRQ-KRWDZBQOSA-N -1 1 490.533 5.346 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(SC)cc2)cc1OC ZINC000263586875 570172060 /nfs/dbraw/zinc/17/20/60/570172060.db2.gz ZFLRHFSSLDIJRQ-KRWDZBQOSA-N -1 1 490.533 5.346 50 0 biogenic JKAAMM O=S(=O)([N-]c1ccc(-c2cc3cc(Cl)ccc3o2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001042310 194008120 /nfs/dbraw/zinc/00/81/20/194008120.db2.gz VXHYAACTGPZWLE-UHFFFAOYSA-N -1 1 452.746 6.861 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1)c1ccc(Cl)cc1 ZINC000001044971 194008672 /nfs/dbraw/zinc/00/86/72/194008672.db2.gz MWYLZLGCVRPRIY-UHFFFAOYSA-N -1 1 454.857 5.412 50 0 JKAAMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1C ZINC000001057500 194011382 /nfs/dbraw/zinc/01/13/82/194011382.db2.gz LDNYVWKTVGBCFC-UHFFFAOYSA-N -1 1 466.584 5.058 50 0 JKAAMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)c(C)c1 ZINC000001073278 194016871 /nfs/dbraw/zinc/01/68/71/194016871.db2.gz APIRUQBWYHUPDU-UHFFFAOYSA-N -1 1 466.584 5.058 50 0 JKAAMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1Cl ZINC000001077706 194019012 /nfs/dbraw/zinc/01/90/12/194019012.db2.gz PDVXDMLSFGIJCU-UHFFFAOYSA-N -1 1 458.967 5.327 50 0 JKAAMM O=C(Nc1ccc(Br)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001078727 194019748 /nfs/dbraw/zinc/01/97/48/194019748.db2.gz BQZQWXYEYAHLKQ-UHFFFAOYSA-N -1 1 465.756 5.156 50 0 JKAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(Cl)cc1 ZINC000001146058 194047700 /nfs/dbraw/zinc/04/77/00/194047700.db2.gz AREVHEOGKALQMF-UHFFFAOYSA-N -1 1 491.805 5.248 50 0 JKAAMM Cc1ccc(N2C(=O)[N-]C(=O)[C@@](CCc3ccccn3)(Cc3cccc(Cl)c3Cl)C2=O)cc1 ZINC000001131721 194039524 /nfs/dbraw/zinc/03/95/24/194039524.db2.gz XUHOHQAVMURDHW-RUZDIDTESA-N -1 1 482.367 5.982 50 0 JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c(C)c1 ZINC000001148455 194049473 /nfs/dbraw/zinc/04/94/73/194049473.db2.gz SVBKDJNOBIQLPF-UHFFFAOYSA-N -1 1 499.441 5.520 50 0 JKAAMM O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001150760 194050485 /nfs/dbraw/zinc/05/04/85/194050485.db2.gz INIJJHCGADKFHM-UHFFFAOYSA-N -1 1 484.883 5.177 50 0 JKAAMM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000001151148 194050761 /nfs/dbraw/zinc/05/07/61/194050761.db2.gz VTDCCFFLCRCTOI-AWEZNQCLSA-N -1 1 481.426 5.914 50 0 JKAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(Cl)cc1 ZINC000001161418 194054984 /nfs/dbraw/zinc/05/49/84/194054984.db2.gz YHDAFGPTNGJPOR-UHFFFAOYSA-N -1 1 491.805 5.248 50 0 JKAAMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc(Br)cc1 ZINC000001172761 194061010 /nfs/dbraw/zinc/06/10/10/194061010.db2.gz WMJNWRKTCHFADB-UHFFFAOYSA-N -1 1 468.332 5.090 50 0 JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c(Br)c2)c(C)c1 ZINC000001207617 194070342 /nfs/dbraw/zinc/07/03/42/194070342.db2.gz IZQXFEGIIFDNKE-UHFFFAOYSA-N -1 1 462.365 5.440 50 0 JKAAMM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000001183154 194063872 /nfs/dbraw/zinc/06/38/72/194063872.db2.gz DSDGROHKAOBPOF-UHFFFAOYSA-N -1 1 469.522 5.489 50 0 JKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2c1C(=O)Nc1ccccc1 ZINC000001210632 194071137 /nfs/dbraw/zinc/07/11/37/194071137.db2.gz IEHSHIVALMLNNZ-UHFFFAOYSA-N -1 1 485.359 5.557 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2ccccc2OC)cc1 ZINC000001430339 194119890 /nfs/dbraw/zinc/11/98/90/194119890.db2.gz VJRDMWHREGMSGM-QHCPKHFHSA-N -1 1 459.527 5.073 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2ccccc2OC)cc1 ZINC000001430339 194119893 /nfs/dbraw/zinc/11/98/93/194119893.db2.gz VJRDMWHREGMSGM-QHCPKHFHSA-N -1 1 459.527 5.073 50 0 JKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccccc3)c3ccccc3c2oc1-c1ccccc1 ZINC000001405355 194115661 /nfs/dbraw/zinc/11/56/61/194115661.db2.gz PJKPENUAVCBHSN-UHFFFAOYSA-N -1 1 471.534 6.231 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000001406199 194115881 /nfs/dbraw/zinc/11/58/81/194115881.db2.gz WKJZCIGDQBBFCI-UHFFFAOYSA-N -1 1 497.425 5.534 50 0 JKAAMM CCC(C)(C)[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(OC)cc4)c4ccccc34)c2C1 ZINC000001405396 194115904 /nfs/dbraw/zinc/11/59/04/194115904.db2.gz NFEAUYCFARPLPX-SFHVURJKSA-N -1 1 477.626 6.937 50 0 JKAAMM CC[C@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000001407731 194116292 /nfs/dbraw/zinc/11/62/92/194116292.db2.gz UPNMJCXUQZQTCY-HSZRJFAPSA-N -1 1 473.520 5.410 50 0 JKAAMM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccccc3F)C2)cc1 ZINC000001409029 194116382 /nfs/dbraw/zinc/11/63/82/194116382.db2.gz FONMMFZSDPCAHI-KEEVHDRGSA-N -1 1 498.554 6.549 50 0 JKAAMM CC[C@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3cc(Cl)ccc3C)[n-]c(=O)c21 ZINC000001407733 194116424 /nfs/dbraw/zinc/11/64/24/194116424.db2.gz AHBKQFVTWMTIOI-XMMPIXPASA-N -1 1 453.995 5.353 50 0 JKAAMM CCC(C)(C)c1ccc(OCCCCNC(=O)c2ccc3ccccc3c2[O-])c(C(C)(C)CC)c1 ZINC000001609166 194129336 /nfs/dbraw/zinc/12/93/36/194129336.db2.gz DHEJKONKJWLHGP-UHFFFAOYSA-N -1 1 475.673 7.510 50 0 JKAAMM COc1ccc(-c2c(C)oc3cc(OCc4ccc(Br)cc4)cc(=O)c-3c2[O-])cc1OC ZINC000001447826 194122805 /nfs/dbraw/zinc/12/28/05/194122805.db2.gz VHWTVJPQKHECFQ-UHFFFAOYSA-N -1 1 497.341 5.833 50 0 biogenic JKAAMM COc1ccc(-c2c(C)oc3cc(OCc4ccc(Br)cc4)cc([O-])c3c2=O)cc1OC ZINC000001447826 194122808 /nfs/dbraw/zinc/12/28/08/194122808.db2.gz VHWTVJPQKHECFQ-UHFFFAOYSA-N -1 1 497.341 5.833 50 0 biogenic JKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3c2oc1-c1ccccc1 ZINC000001773930 194137452 /nfs/dbraw/zinc/13/74/52/194137452.db2.gz YSNLVVIAHLNTPF-UHFFFAOYSA-N -1 1 485.561 6.539 50 0 JKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(CC)cc3)c3ccccc3c2oc1-c1ccccc1 ZINC000001773927 194137635 /nfs/dbraw/zinc/13/76/35/194137635.db2.gz OWTCEDRXYCPNHB-UHFFFAOYSA-N -1 1 499.588 6.793 50 0 JKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccccc4)cs3)/c(=N/c3ccccc3C)oc2cc1[O-] ZINC000002964014 194183471 /nfs/dbraw/zinc/18/34/71/194183471.db2.gz KGOGHGIKZFZKQK-GCUVURNUSA-N -1 1 494.660 8.593 50 0 JKAAMM O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1sc2ccccc2c1Cl ZINC000002968716 194186497 /nfs/dbraw/zinc/18/64/97/194186497.db2.gz AGPGJQFVVNNUIX-UHFFFAOYSA-N -1 1 455.322 6.974 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2N2CCCCC2)cc1 ZINC000003056434 194221215 /nfs/dbraw/zinc/22/12/15/194221215.db2.gz FFPRUXCOPZNEPX-UHFFFAOYSA-N -1 1 498.048 5.370 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCCCC3)ccc2N2CCCCC2)cc1 ZINC000003056430 194221224 /nfs/dbraw/zinc/22/12/24/194221224.db2.gz MFWRJQICBBTUJJ-UHFFFAOYSA-N -1 1 469.651 5.239 50 0 JKAAMM O=C(OC(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1ccco1 ZINC000003170757 194233963 /nfs/dbraw/zinc/23/39/63/194233963.db2.gz ZBMISTJQZCBCKJ-UHFFFAOYSA-N -1 1 493.381 5.257 50 0 JKAAMM Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)c2)c1 ZINC000003262478 194255700 /nfs/dbraw/zinc/25/57/00/194255700.db2.gz OAHADYWTXNRPMI-UHFFFAOYSA-N -1 1 486.593 5.936 50 0 JKAAMM CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(C)ccc1C)c1ccccc21 ZINC000003259461 194254635 /nfs/dbraw/zinc/25/46/35/194254635.db2.gz OFGSHBPCHHFPDA-UHFFFAOYSA-N -1 1 465.571 6.269 50 0 JKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccccc23)c1C(=O)OC(C)C ZINC000003296770 194270513 /nfs/dbraw/zinc/27/05/13/194270513.db2.gz PTGLSFPFOKKUSI-UHFFFAOYSA-N -1 1 479.598 6.558 50 0 JKAAMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1oc2ccccc2c1CSC1CCCCC1 ZINC000003365747 194303232 /nfs/dbraw/zinc/30/32/32/194303232.db2.gz DBOGCKOTESWPDV-UHFFFAOYSA-N -1 1 464.539 6.168 50 0 JKAAMM O=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000003388904 194310829 /nfs/dbraw/zinc/31/08/29/194310829.db2.gz BHXQMBQGKMGQIV-UHFFFAOYSA-N -1 1 468.578 5.895 50 0 JKAAMM COC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 ZINC000003635643 194345233 /nfs/dbraw/zinc/34/52/33/194345233.db2.gz CYSZYHXKKKGCOJ-UHFFFAOYSA-N -1 1 494.613 5.441 50 0 JKAAMM CC[C@@]1(C)Cc2ccccc2-c2nc(S[C@H](C)C(=O)N(c3ccccc3)c3ccccc3)[n-]c(=O)c21 ZINC000003771759 194361391 /nfs/dbraw/zinc/36/13/91/194361391.db2.gz HWRGDMGFKASBNL-KEEVHDRGSA-N -1 1 495.648 6.506 50 0 JKAAMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000003991741 194367975 /nfs/dbraw/zinc/36/79/75/194367975.db2.gz YSDJIVSUWLNOLU-UHFFFAOYSA-N -1 1 478.570 5.233 50 0 JKAAMM O=S(=O)([N-]c1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000003991887 194368129 /nfs/dbraw/zinc/36/81/29/194368129.db2.gz VOIAONVFDKTKQG-UHFFFAOYSA-N -1 1 473.175 6.349 50 0 JKAAMM CCOc1cccc2cc(-c3nc(=O)c4c(C)c(C(=O)Nc5cccc(C)c5)sc4[n-]3)c(=O)oc21 ZINC000009405637 194745120 /nfs/dbraw/zinc/74/51/20/194745120.db2.gz PFNAZKFGUSXLCJ-UHFFFAOYSA-N -1 1 487.537 5.026 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3Cl)s2)n1 ZINC000009431854 194776738 /nfs/dbraw/zinc/77/67/38/194776738.db2.gz LVXMIGIZTBWOPY-UHFFFAOYSA-N -1 1 472.448 5.682 50 0 JKAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009715501 194913589 /nfs/dbraw/zinc/91/35/89/194913589.db2.gz PGKHYTBXJXRABD-GOSISDBHSA-N -1 1 495.601 5.256 50 0 JKAAMM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2c(F)cccc2F)c(OC)c1 ZINC000009959340 195038112 /nfs/dbraw/zinc/03/81/12/195038112.db2.gz NKJIYYSNPYYZHL-UHFFFAOYSA-N -1 1 452.413 5.233 50 0 JKAAMM COc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)cc1OC(F)F ZINC000012605203 195050455 /nfs/dbraw/zinc/05/04/55/195050455.db2.gz WFEIHWWELSERAO-UHFFFAOYSA-N -1 1 496.919 5.312 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)c2)c1 ZINC000012605627 195051427 /nfs/dbraw/zinc/05/14/27/195051427.db2.gz ZWIWHYCDROWGNR-QGZVFWFLSA-N -1 1 465.600 5.239 50 0 JKAAMM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012764649 195112709 /nfs/dbraw/zinc/11/27/09/195112709.db2.gz ZMSWXABSMNDGIQ-HNNXBMFYSA-N -1 1 486.018 5.584 50 0 JKAAMM CCCOc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)cc1OC ZINC000012800737 195139104 /nfs/dbraw/zinc/13/91/04/195139104.db2.gz YNMDKTSFTHWELE-UHFFFAOYSA-N -1 1 468.575 5.154 50 0 JKAAMM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c(C)c1 ZINC000012823191 195150368 /nfs/dbraw/zinc/15/03/68/195150368.db2.gz FIAXTXLHULUAPN-UHFFFAOYSA-N -1 1 463.386 5.592 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCCCCC3)ccc2N2CCCC2)cc1 ZINC000020684809 195204809 /nfs/dbraw/zinc/20/48/09/195204809.db2.gz GVDPGCQUYPABJW-UHFFFAOYSA-N -1 1 469.651 5.239 50 0 JKAAMM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020714098 195205854 /nfs/dbraw/zinc/20/58/54/195205854.db2.gz GXNCJWSTDKKJAO-AREMUKBSSA-N -1 1 459.977 5.354 50 0 JKAAMM Cc1cc(=O)[n-]c(SCC(=O)N2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@H]2CCC4)n1 ZINC000020807899 195228596 /nfs/dbraw/zinc/22/85/96/195228596.db2.gz KZRWIIUXLOWXEP-HSZRJFAPSA-N -1 1 476.646 5.093 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])cc1F ZINC000020903862 195243628 /nfs/dbraw/zinc/24/36/28/195243628.db2.gz YPXHGRLKXNXJGY-UNMCSNQZSA-N -1 1 492.601 5.374 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])cc1F ZINC000020903857 195243672 /nfs/dbraw/zinc/24/36/72/195243672.db2.gz YPXHGRLKXNXJGY-IRLDBZIGSA-N -1 1 492.601 5.374 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1F ZINC000020903660 195243697 /nfs/dbraw/zinc/24/36/97/195243697.db2.gz FUFRCZQMPBCVDK-PKTZIBPZSA-N -1 1 490.535 5.143 50 0 JKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000020903571 195243815 /nfs/dbraw/zinc/24/38/15/195243815.db2.gz COKHHJVZSGWOHG-CLJLJLNGSA-N -1 1 496.636 5.790 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903588 195243830 /nfs/dbraw/zinc/24/38/30/195243830.db2.gz HYMJGNVSDVYDNA-BJKOFHAPSA-N -1 1 486.572 5.312 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccccc1Cl ZINC000020903939 195244176 /nfs/dbraw/zinc/24/41/76/195244176.db2.gz SRJFOPWGCHJJJC-CTNGQTDRSA-N -1 1 495.029 5.579 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])cc1C ZINC000020903890 195244323 /nfs/dbraw/zinc/24/43/23/195244323.db2.gz YVXXPJKXKKWJHN-JTHBVZDNSA-N -1 1 488.638 5.543 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000020903917 195244339 /nfs/dbraw/zinc/24/43/39/195244339.db2.gz JYBBSGQVXULRSY-TZIWHRDSSA-N -1 1 496.564 5.204 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])c(C)c1 ZINC000020903903 195244413 /nfs/dbraw/zinc/24/44/13/195244413.db2.gz JOBWVSIHHMSWIT-GMAHTHKFSA-N -1 1 488.638 5.543 50 0 JKAAMM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)N3CCC(C)CC3)no2)cc1 ZINC000021525834 195304790 /nfs/dbraw/zinc/30/47/90/195304790.db2.gz DMRPOEYECGWDIP-UHFFFAOYSA-N -1 1 459.502 5.221 50 0 JKAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(Sc3ccccc3Cl)cc2)c1 ZINC000058017096 195362741 /nfs/dbraw/zinc/36/27/41/195362741.db2.gz LDYVIXSCZNDHEQ-UHFFFAOYSA-N -1 1 467.019 6.359 50 0 JKAAMM COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000021784404 195321034 /nfs/dbraw/zinc/32/10/34/195321034.db2.gz VQCTVTOKSZODMF-INIZCTEOSA-N -1 1 486.391 5.028 50 0 JKAAMM CC(C)Oc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)cc1 ZINC000021784735 195321234 /nfs/dbraw/zinc/32/12/34/195321234.db2.gz PIIHVGMNJDGJBU-SFHVURJKSA-N -1 1 455.967 5.389 50 0 JKAAMM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]Cc3ccccc3C(F)(F)F)c2)n1 ZINC000033297812 519078737 /nfs/dbraw/zinc/07/87/37/519078737.db2.gz JIQZIEGILLNIOV-UHFFFAOYSA-N -1 1 460.568 5.666 50 0 JKAAMM CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000035479656 519838711 /nfs/dbraw/zinc/83/87/11/519838711.db2.gz IZEZSDKOVYCLCT-UHFFFAOYSA-N -1 1 493.629 5.163 50 0 JKAAMM CC(C)c1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000024828720 519841795 /nfs/dbraw/zinc/84/17/95/519841795.db2.gz ZLGLTKDWPFMFJI-UHFFFAOYSA-N -1 1 477.413 6.099 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(C)c(F)c2)n1 ZINC000009431846 520569941 /nfs/dbraw/zinc/56/99/41/520569941.db2.gz ITGIWZQLKNADTC-UHFFFAOYSA-N -1 1 483.952 6.309 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)n1 ZINC000009431839 520570027 /nfs/dbraw/zinc/57/00/27/520570027.db2.gz QVALQMSEMKNIME-UHFFFAOYSA-N -1 1 486.380 6.515 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2oc3ccccc3c2C(=O)c2ccc(OCC)cc2)n1 ZINC000016742471 520570727 /nfs/dbraw/zinc/57/07/27/520570727.db2.gz USYZXFFMFYVHJO-UHFFFAOYSA-N -1 1 495.988 6.260 50 0 JKAAMM CCCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)nc1 ZINC000033138662 520684795 /nfs/dbraw/zinc/68/47/95/520684795.db2.gz MHGSWEPLRDAFBG-UHFFFAOYSA-N -1 1 469.632 5.180 50 0 JKAAMM CCOc1ccc(-c2noc(-c3oc4ccc(S(=O)(=O)[N-]c5cccc(C)c5)cc4c3C)n2)cc1 ZINC000064948582 520825488 /nfs/dbraw/zinc/82/54/88/520825488.db2.gz WOLRNLBNDBQIAD-UHFFFAOYSA-N -1 1 489.553 5.966 50 0 JKAAMM CCCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000021784602 520899520 /nfs/dbraw/zinc/89/95/20/520899520.db2.gz UDLADRJQHSIHQV-LJQANCHMSA-N -1 1 453.539 5.267 50 0 JKAAMM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CC1 ZINC000033130279 520991136 /nfs/dbraw/zinc/99/11/36/520991136.db2.gz MAWYHYWRWNDZDO-UHFFFAOYSA-N -1 1 452.551 5.166 50 0 JKAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1 ZINC000033297928 521194833 /nfs/dbraw/zinc/19/48/33/521194833.db2.gz YOQHTPUZIBPGTE-QINSGFPZSA-N -1 1 453.564 5.174 50 0 JKAAMM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)s1 ZINC000033306568 521196010 /nfs/dbraw/zinc/19/60/10/521196010.db2.gz MAJLXOIKVMCALR-VMPITWQZSA-N -1 1 469.947 5.157 50 0 JKAAMM CCCc1cc(=O)[n-]c(SCc2nc(-c3cc(Br)ccc3OC)oc2C)n1 ZINC000016840828 521384823 /nfs/dbraw/zinc/38/48/23/521384823.db2.gz HDARZWAAAUNWCJ-UHFFFAOYSA-N -1 1 450.358 5.162 50 0 JKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Cl)c(C)c1)c1ccccc21 ZINC000008974160 521401322 /nfs/dbraw/zinc/40/13/22/521401322.db2.gz IZGCRYRTLMHMMG-UHFFFAOYSA-N -1 1 457.935 5.834 50 0 JKAAMM CCCc1oc2c(cc([N-]S(=O)(=O)c3ccc(CC)cc3)c3ccccc23)c1C(=O)OCC ZINC000008439220 521600557 /nfs/dbraw/zinc/60/05/57/521600557.db2.gz HKKFXPXWGITLKI-UHFFFAOYSA-N -1 1 465.571 6.078 50 0 JKAAMM COC(=O)c1c([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)scc1-c1ccc(Cl)cc1 ZINC000002752583 521769170 /nfs/dbraw/zinc/76/91/70/521769170.db2.gz SWNVQGVPOJARAL-UHFFFAOYSA-N -1 1 461.795 5.803 50 0 JKAAMM 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ZINC000011867722 555845204 /nfs/dbraw/zinc/84/52/04/555845204.db2.gz LNAPVBVMWWWPKX-UHFFFAOYSA-N -1 1 452.890 5.724 50 0 JKAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000020604352 555845250 /nfs/dbraw/zinc/84/52/50/555845250.db2.gz WWMYZEZYZJEOHE-UHFFFAOYSA-N -1 1 480.487 5.093 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)ccc2N2CCCCC2)cc1 ZINC000020725155 555847280 /nfs/dbraw/zinc/84/72/80/555847280.db2.gz RNKBNEBKBZTUTJ-YZUZCNPQSA-N -1 1 483.678 5.341 50 0 JKAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000012007921 555883739 /nfs/dbraw/zinc/88/37/39/555883739.db2.gz NXEQBDTWPBCEJU-UHFFFAOYSA-N -1 1 493.523 5.215 50 0 JKAAMM COc1cc(Cl)c(C)cc1NC(=O)Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1[O-] ZINC000015231896 555889814 /nfs/dbraw/zinc/88/98/14/555889814.db2.gz OIPHXZXIOVASKH-MRXNPFEDSA-N -1 1 471.888 5.115 50 0 JKAAMM CCOc1ccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012112464 555908651 /nfs/dbraw/zinc/90/86/51/555908651.db2.gz IXEUGFRUGRKVKC-UHFFFAOYSA-N -1 1 493.610 5.039 50 0 JKAAMM CC(C)c1ccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012112472 555908771 /nfs/dbraw/zinc/90/87/71/555908771.db2.gz LGUSVIIPOUOVTI-UHFFFAOYSA-N -1 1 491.638 5.764 50 0 JKAAMM Cc1c(Cl)cccc1NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112459 555908880 /nfs/dbraw/zinc/90/88/80/555908880.db2.gz CZEWFKKLTFGXGF-UHFFFAOYSA-N -1 1 498.029 5.602 50 0 JKAAMM Cc1ccc(NC(=O)CSc2[n-]c(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012112506 555909120 /nfs/dbraw/zinc/90/91/20/555909120.db2.gz LAWFTRVVTZBKKP-UHFFFAOYSA-N -1 1 477.611 5.257 50 0 JKAAMM CCc1ccccc1NC(=O)CSc1[n-]c(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112518 555909274 /nfs/dbraw/zinc/90/92/74/555909274.db2.gz QEVMMRRODVUIOM-UHFFFAOYSA-N -1 1 491.638 5.511 50 0 JKAAMM Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)ccc3Cl)ccc2o1 ZINC000015541080 555914272 /nfs/dbraw/zinc/91/42/72/555914272.db2.gz RKZASRNYUHZCDK-UHFFFAOYSA-N -1 1 469.950 5.460 50 0 JKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000015621250 555920019 /nfs/dbraw/zinc/92/00/19/555920019.db2.gz CMDAJQAFTUTXII-INIZCTEOSA-N -1 1 473.392 5.049 50 0 JKAAMM O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000022917309 555971013 /nfs/dbraw/zinc/97/10/13/555971013.db2.gz AALKSFICMMZWGQ-UHFFFAOYSA-N -1 1 460.961 5.059 50 0 JKAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4cc5cc(Cl)ccc5[nH]4)cc3)cc2C[C@@H]1C ZINC000015730137 555971400 /nfs/dbraw/zinc/97/14/00/555971400.db2.gz ZHWHNZDCSITBFH-HNNXBMFYSA-N -1 1 479.989 5.587 50 0 JKAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4cc5cc(Cl)ccc5[nH]4)cc3)cc2C[C@H]1C ZINC000015730136 555971451 /nfs/dbraw/zinc/97/14/51/555971451.db2.gz ZHWHNZDCSITBFH-OAHLLOKOSA-N -1 1 479.989 5.587 50 0 JKAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(-c4ccc5ccccc5n4)c3)cc2C[C@@H]1C ZINC000015827837 556015261 /nfs/dbraw/zinc/01/52/61/556015261.db2.gz KSWVHLQRKRBPTK-KRWDZBQOSA-N -1 1 457.555 5.000 50 0 JKAAMM Cc1ccc(NC(=O)CSc2nc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3s2)cc1 ZINC000015838841 556022282 /nfs/dbraw/zinc/02/22/82/556022282.db2.gz WFTRIYTWTYOHPK-UHFFFAOYSA-N -1 1 487.603 5.275 50 0 JKAAMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1OC ZINC000012546648 556022779 /nfs/dbraw/zinc/02/27/79/556022779.db2.gz PNCCNKANOQYTBW-FPYGCLRLSA-N -1 1 497.613 5.070 50 0 JKAAMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCCCOc1cc(C)ccc1C(C)C ZINC000015857072 556024627 /nfs/dbraw/zinc/02/46/27/556024627.db2.gz ZCFOQAGRJGLNTK-HAHDFKILSA-N -1 1 455.576 5.689 50 0 JKAAMM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000015869522 556048661 /nfs/dbraw/zinc/04/86/61/556048661.db2.gz WFHYFAIQCDDZAO-IBGZPJMESA-N -1 1 454.636 5.481 50 0 JKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc(Cc4ccc(C)cc4)o3)c2)cc1 ZINC000015869321 556048728 /nfs/dbraw/zinc/04/87/28/556048728.db2.gz NTZMKGJVYOWFBZ-UHFFFAOYSA-N -1 1 451.523 5.138 50 0 JKAAMM O=C(Nc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc2s1)C1CCCCC1 ZINC000015870248 556050011 /nfs/dbraw/zinc/05/00/11/556050011.db2.gz DTTQACKTMBCXQH-UHFFFAOYSA-N -1 1 469.632 5.495 50 0 JKAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000015870266 556050095 /nfs/dbraw/zinc/05/00/95/556050095.db2.gz IBQBKQQELMGCIK-UHFFFAOYSA-N -1 1 459.593 5.015 50 0 JKAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000015870277 556050148 /nfs/dbraw/zinc/05/01/48/556050148.db2.gz CJIBSZZCMLIOFD-UHFFFAOYSA-N -1 1 464.012 5.578 50 0 JKAAMM CCCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000015870738 556050867 /nfs/dbraw/zinc/05/08/67/556050867.db2.gz MKOJOCLJFKVSHI-UHFFFAOYSA-N -1 1 453.995 5.686 50 0 JKAAMM CCCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015870778 556050904 /nfs/dbraw/zinc/05/09/04/556050904.db2.gz AUSJIZJQPQCTLU-UHFFFAOYSA-N -1 1 455.530 5.311 50 0 JKAAMM CCCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000015870770 556050912 /nfs/dbraw/zinc/05/09/12/556050912.db2.gz WNSVKKPHQAILFN-UHFFFAOYSA-N -1 1 453.995 5.686 50 0 JKAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)c1 ZINC000015870829 556051421 /nfs/dbraw/zinc/05/14/21/556051421.db2.gz SVMJXPRBLHXKKT-UHFFFAOYSA-N -1 1 467.594 5.920 50 0 JKAAMM CC(C)c1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cc1 ZINC000012560792 556053389 /nfs/dbraw/zinc/05/33/89/556053389.db2.gz DJTLUJBFRKOOGS-UHFFFAOYSA-N -1 1 466.559 5.024 50 0 JKAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c(C)cc1Cl ZINC000015882195 556055477 /nfs/dbraw/zinc/05/54/77/556055477.db2.gz LQNPJUGAAPTHGG-UHFFFAOYSA-N -1 1 471.026 5.451 50 0 JKAAMM Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000012564550 556060668 /nfs/dbraw/zinc/06/06/68/556060668.db2.gz SNFGQBKZUJNMKA-UHFFFAOYSA-N -1 1 483.899 6.112 50 0 JKAAMM O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000015906141 556063368 /nfs/dbraw/zinc/06/33/68/556063368.db2.gz HPFJTGCUJOOJFI-UHFFFAOYSA-N -1 1 490.195 6.353 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000012566431 556064237 /nfs/dbraw/zinc/06/42/37/556064237.db2.gz KSDFUGMFAIJYNX-UHFFFAOYSA-N -1 1 468.884 5.720 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000015913186 556066169 /nfs/dbraw/zinc/06/61/69/556066169.db2.gz SYCRMHCEZSSDDB-UHFFFAOYSA-N -1 1 483.977 5.202 50 0 JKAAMM Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000015913458 556066180 /nfs/dbraw/zinc/06/61/80/556066180.db2.gz BSPXCNMFUXHULY-UHFFFAOYSA-N -1 1 479.385 5.429 50 0 JKAAMM O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015979387 556098748 /nfs/dbraw/zinc/09/87/48/556098748.db2.gz CIOWESUGYPGDPM-UHFFFAOYSA-N -1 1 469.777 5.629 50 0 JKAAMM Cc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000015981214 556099921 /nfs/dbraw/zinc/09/99/21/556099921.db2.gz SZYZLBNGIUVFRN-UHFFFAOYSA-N -1 1 483.804 5.937 50 0 JKAAMM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000012781252 556111565 /nfs/dbraw/zinc/11/15/65/556111565.db2.gz CIDHXLPVBWIMRN-OAHLLOKOSA-N -1 1 486.018 5.584 50 0 JKAAMM COc1ccc(C(C)(C)C)cc1NC(=O)CCc1c(C)nc(SCc2ccccc2)[n-]c1=O ZINC000012785305 556112626 /nfs/dbraw/zinc/11/26/26/556112626.db2.gz LGDSUIJDAJIVQT-UHFFFAOYSA-N -1 1 465.619 5.248 50 0 JKAAMM CC(C)(C)OC(=O)NCC1CCC(C(=O)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)CC1 ZINC000012872097 556121149 /nfs/dbraw/zinc/12/11/49/556121149.db2.gz WFOFORPOTPCAOD-UHFFFAOYSA-N -1 1 493.556 5.402 50 0 biogenic JKAAMM CC(C)(C)OC(=O)NCC1CCC(C(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)CC1 ZINC000012872097 556121153 /nfs/dbraw/zinc/12/11/53/556121153.db2.gz WFOFORPOTPCAOD-UHFFFAOYSA-N -1 1 493.556 5.402 50 0 biogenic JKAAMM CCOc1ccc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1 ZINC000016043668 556123285 /nfs/dbraw/zinc/12/32/85/556123285.db2.gz MROHAHZCHJHAHP-UHFFFAOYSA-N -1 1 486.977 5.141 50 0 JKAAMM Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000016044981 556125591 /nfs/dbraw/zinc/12/55/91/556125591.db2.gz DIGKMTVGYFZGDW-INIZCTEOSA-N -1 1 491.588 5.793 50 0 JKAAMM O=C(Nc1ccccc1Sc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000016400676 556137785 /nfs/dbraw/zinc/13/77/85/556137785.db2.gz UYSFLHCACBODST-UHFFFAOYSA-N -1 1 460.580 5.891 50 0 JKAAMM O=C(Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1)c1ccco1 ZINC000012932129 556148390 /nfs/dbraw/zinc/14/83/90/556148390.db2.gz JPTNMBHMPKVEAN-UHFFFAOYSA-N -1 1 495.944 5.238 50 0 JKAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000024761931 556152177 /nfs/dbraw/zinc/15/21/77/556152177.db2.gz YFSGBKHPUWQMIV-UHFFFAOYSA-N -1 1 497.664 5.575 50 0 JKAAMM COc1ccc(-c2cc(NC(=O)c3cc(Br)c([O-])c(OC)c3)ccc2OC(F)F)cc1 ZINC000024831774 556158064 /nfs/dbraw/zinc/15/80/64/556158064.db2.gz RQZHPJLYJKKCFV-UHFFFAOYSA-N -1 1 494.288 5.693 50 0 JKAAMM Cc1c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2oc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000016844306 556166155 /nfs/dbraw/zinc/16/61/55/556166155.db2.gz FDISDSCSTLSSGZ-UHFFFAOYSA-N -1 1 489.509 5.296 50 0 JKAAMM CCCCc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000024981422 556168280 /nfs/dbraw/zinc/16/82/80/556168280.db2.gz FMQVQZFPNQOORP-UHFFFAOYSA-N -1 1 491.440 6.318 50 0 JKAAMM CC(C)c1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000024981409 556168327 /nfs/dbraw/zinc/16/83/27/556168327.db2.gz VGUHBJZXNKLBDZ-UHFFFAOYSA-N -1 1 477.413 6.099 50 0 JKAAMM CCc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000024984011 556168902 /nfs/dbraw/zinc/16/89/02/556168902.db2.gz SPAHCSDNUBAETE-UHFFFAOYSA-N -1 1 463.386 5.538 50 0 JKAAMM CC(C)c1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000024986307 556169713 /nfs/dbraw/zinc/16/97/13/556169713.db2.gz BQHAPAZGFKEGFM-UHFFFAOYSA-N -1 1 477.413 6.099 50 0 JKAAMM O=C(Nc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000025063937 556177720 /nfs/dbraw/zinc/17/77/20/556177720.db2.gz JCVHVZJDJQYVHN-UHFFFAOYSA-N -1 1 451.426 5.030 50 0 JKAAMM CC[C@@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3cccc4ccccc43)[n-]c(=O)c21 ZINC000016957152 556187969 /nfs/dbraw/zinc/18/79/69/556187969.db2.gz PRSPZVKQOOUYGO-MHZLTWQESA-N -1 1 455.583 5.545 50 0 JKAAMM CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C)cc(C)c2)c1NC(=O)c1ccccc1[O-] ZINC000025150928 556191501 /nfs/dbraw/zinc/19/15/01/556191501.db2.gz YAEIAJOLXZGDRW-UHFFFAOYSA-N -1 1 485.584 6.105 50 0 JKAAMM Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)cc1Cl ZINC000017120621 556219175 /nfs/dbraw/zinc/21/91/75/556219175.db2.gz BOWYUAGCZKMLMR-UHFFFAOYSA-N -1 1 475.020 5.197 50 0 JKAAMM CCOc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000017138322 556224462 /nfs/dbraw/zinc/22/44/62/556224462.db2.gz PHAYKRVRSAYQGZ-HKPSVDRMSA-N -1 1 489.593 7.032 50 0 JKAAMM Cc1ccc2nc(-c3ccc(NC(=O)c4c([O-])n5c6c(cccc6c4=O)CC5)cc3)sc2c1 ZINC000017162915 556230087 /nfs/dbraw/zinc/23/00/87/556230087.db2.gz QABYHNJFKZZWIS-UHFFFAOYSA-N -1 1 453.523 5.101 50 0 JKAAMM O=c1c2ccccc2[n-]c(=S)n1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000025782729 556234503 /nfs/dbraw/zinc/23/45/03/556234503.db2.gz ZCNBZFRECRPCKU-UHFFFAOYSA-N -1 1 489.591 5.561 50 0 in-vitro JKAAMM COc1ccccc1C(=O)Oc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=C1SC(=S)[N-]C1=O ZINC000017248834 556247494 /nfs/dbraw/zinc/24/74/94/556247494.db2.gz WPTLBGXXIFTROC-HGCZGKCMSA-N -1 1 494.594 5.246 50 0 JKAAMM COc1ccccc1C(=O)Oc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=C1SC(=S)[N-]C1=O ZINC000017248839 556247554 /nfs/dbraw/zinc/24/75/54/556247554.db2.gz WPTLBGXXIFTROC-LDTKGLONSA-N -1 1 494.594 5.246 50 0 JKAAMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1ccccc1 ZINC000017282440 556250619 /nfs/dbraw/zinc/25/06/19/556250619.db2.gz IQMCXQXHRSJHGR-VSGBNLITSA-N -1 1 492.623 6.082 50 0 JKAAMM O=C1[C@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000017748106 556265752 /nfs/dbraw/zinc/26/57/52/556265752.db2.gz LKKNGOPEDJTLJJ-DSNGMDLFSA-N -1 1 499.364 5.653 50 0 JKAAMM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc1C ZINC000013069731 556266745 /nfs/dbraw/zinc/26/67/45/556266745.db2.gz AWCJRYHIBRSTSB-UHFFFAOYSA-N -1 1 462.493 5.304 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000017992839 556274778 /nfs/dbraw/zinc/27/47/78/556274778.db2.gz WYSNQLAPGDPWBR-VJGNERBWSA-N -1 1 486.568 5.234 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018024369 556277552 /nfs/dbraw/zinc/27/75/52/556277552.db2.gz MMWXNOTWBPHFDY-PFBJBMPXSA-N -1 1 486.568 5.234 50 0 JKAAMM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(Br)cc1)c1ccc(F)cc1Cl ZINC000027522949 556286981 /nfs/dbraw/zinc/28/69/81/556286981.db2.gz LXCIMLFGFZOPRZ-UHFFFAOYSA-N -1 1 472.701 5.002 50 0 JKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1 ZINC000027531801 556292449 /nfs/dbraw/zinc/29/24/49/556292449.db2.gz VYXLSGMZRBDOAK-DEDYPNTBSA-N -1 1 494.034 5.769 50 0 JKAAMM Cc1[nH]c2ccccc2c1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C([O-])=C2ON1c1ccccc1 ZINC000018193696 556301620 /nfs/dbraw/zinc/30/16/20/556301620.db2.gz XIHVMRAZUQUDDW-GVAUOCQISA-N -1 1 471.944 5.489 50 0 JKAAMM CCc1c(C)sc2nc(SCC(=O)c3ccc([O-])cc3O)n(-c3cccc(C)c3)c(=O)c21 ZINC000013112918 556315832 /nfs/dbraw/zinc/31/58/32/556315832.db2.gz LZJQFBGYMYJFTI-UHFFFAOYSA-N -1 1 466.584 5.013 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccccc1 ZINC000028156638 556316105 /nfs/dbraw/zinc/31/61/05/556316105.db2.gz JKGLFSNRJCEUTA-DHIUTWEWSA-N -1 1 472.545 5.004 50 0 JKAAMM O=C(Nc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c([O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000030563352 556367062 /nfs/dbraw/zinc/36/70/62/556367062.db2.gz PVXVGZFROUJLFX-UHFFFAOYSA-N -1 1 484.339 5.096 50 0 JKAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000013137880 556369003 /nfs/dbraw/zinc/36/90/03/556369003.db2.gz DDLQZRKWEAJIKE-UHFFFAOYSA-N -1 1 471.022 5.677 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(c4ccccc24)O[C@@]2(N4CCOCC4)CCCC[C@@H]32)cc1 ZINC000019774837 556369091 /nfs/dbraw/zinc/36/90/91/556369091.db2.gz HFRLHXRUNICERG-IGKIAQTJSA-N -1 1 478.614 5.028 50 0 JKAAMM O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Br)cc(Cc2ccccc2)c1[O-] ZINC000019800214 556377127 /nfs/dbraw/zinc/37/71/27/556377127.db2.gz TXFZUJBTCNXMJL-UHFFFAOYSA-N -1 1 485.592 6.958 50 0 JKAAMM COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4ccc(Cl)cc42)CC3)cc1OC ZINC000031816910 556407375 /nfs/dbraw/zinc/40/73/75/556407375.db2.gz HTZJWXPFFQYEON-QFIPXVFZSA-N -1 1 483.977 5.146 50 0 JKAAMM COc1cccc(-n2c3nc(SCc4cccc(Br)c4)[n-]c(=O)c3sc2=S)c1 ZINC000032948257 556563093 /nfs/dbraw/zinc/56/30/93/556563093.db2.gz QCLYOFAIFCVDDW-UHFFFAOYSA-N -1 1 492.445 5.568 50 0 JKAAMM O=c1[n-]c(SCc2ccc(Br)cc2)nc2c1sc(=S)n2-c1ccc(Cl)cc1 ZINC000032948339 556563338 /nfs/dbraw/zinc/56/33/38/556563338.db2.gz AVHZSGAOAUNSBG-UHFFFAOYSA-N -1 1 496.864 6.213 50 0 JKAAMM O=c1[n-]c(SCc2cccc(Br)c2)nc2c1sc(=S)n2-c1ccc(Cl)cc1 ZINC000032948337 556563373 /nfs/dbraw/zinc/56/33/73/556563373.db2.gz WBWMLSXGLJKPLZ-UHFFFAOYSA-N -1 1 496.864 6.213 50 0 JKAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1)Nc1cccc(Cl)c1 ZINC000032948369 556563657 /nfs/dbraw/zinc/56/36/57/556563657.db2.gz RVYLZVDIHXMTHR-UHFFFAOYSA-N -1 1 495.438 5.542 50 0 JKAAMM Cc1ccccc1-n1c2nc(SCc3ccc(Br)cc3)[n-]c(=O)c2sc1=S ZINC000032948407 556563695 /nfs/dbraw/zinc/56/36/95/556563695.db2.gz SWQARZLSUJHEKJ-UHFFFAOYSA-N -1 1 476.446 5.868 50 0 JKAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1)Nc1ccc(Cl)cc1 ZINC000032948382 556563747 /nfs/dbraw/zinc/56/37/47/556563747.db2.gz XSGQYMAWYGSLOQ-UHFFFAOYSA-N -1 1 495.438 5.542 50 0 JKAAMM Cc1ccc(F)cc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000032948397 556563764 /nfs/dbraw/zinc/56/37/64/556563764.db2.gz RTIQWYWDMBBTHF-UHFFFAOYSA-N -1 1 493.010 5.337 50 0 JKAAMM Cc1ccc(-n2c3nc(SCC(=O)Nc4ccc(F)c(Cl)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948653 556564663 /nfs/dbraw/zinc/56/46/63/556564663.db2.gz YVCMGLXHNUDPKF-UHFFFAOYSA-N -1 1 493.010 5.337 50 0 JKAAMM CCCCCCc1cc2cc(-c3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)c(=O)oc2cc1[O-] ZINC000008441054 562939308 /nfs/dbraw/zinc/93/93/08/562939308.db2.gz WCKFIDDCBFITOV-UHFFFAOYSA-N -1 1 480.517 5.364 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008595434 562943775 /nfs/dbraw/zinc/94/37/75/562943775.db2.gz JBIFOYRZGHCSSN-RUZDIDTESA-N -1 1 485.609 6.362 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008595434 562943776 /nfs/dbraw/zinc/94/37/76/562943776.db2.gz JBIFOYRZGHCSSN-RUZDIDTESA-N -1 1 485.609 6.362 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008595436 562943797 /nfs/dbraw/zinc/94/37/97/562943797.db2.gz JBIFOYRZGHCSSN-VWLOTQADSA-N 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JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@H](C(C)(C)C)C4)cc1C ZINC000008439291 569589660 /nfs/dbraw/zinc/58/96/60/569589660.db2.gz OJCRRAMZLJEJQQ-FQEVSTJZSA-N -1 1 475.654 7.463 50 0 JKAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1cc(Cl)sc1Cl ZINC000008720282 569597944 /nfs/dbraw/zinc/59/79/44/569597944.db2.gz UYQLDGVKKDUDRS-UHFFFAOYSA-N -1 1 499.397 5.269 50 0 JKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)CCCN3Cc2ccccc2)c1 ZINC000062592075 569612667 /nfs/dbraw/zinc/61/26/67/569612667.db2.gz GQWTVCCPZDEEJE-UHFFFAOYSA-N -1 1 483.641 5.898 50 0 JKAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000033007625 569615607 /nfs/dbraw/zinc/61/56/07/569615607.db2.gz GTOSCFGFEUMDEM-UHFFFAOYSA-N -1 1 451.573 5.302 50 0 JKAAMM CCCc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000033007807 569615611 /nfs/dbraw/zinc/61/56/11/569615611.db2.gz CMJIFOBFLJAVNU-UHFFFAOYSA-N -1 1 465.600 5.610 50 0 JKAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000033007846 569615620 /nfs/dbraw/zinc/61/56/20/569615620.db2.gz YLESVAHLSIOZPE-UHFFFAOYSA-N -1 1 451.573 5.220 50 0 JKAAMM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007838 569615638 /nfs/dbraw/zinc/61/56/38/569615638.db2.gz JMEIWICQKITZAA-UHFFFAOYSA-N -1 1 465.600 5.781 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1Cl ZINC000033007660 569615661 /nfs/dbraw/zinc/61/56/61/569615661.db2.gz XJAGKNUDNSPFSO-UHFFFAOYSA-N -1 1 473.963 5.011 50 0 JKAAMM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007861 569615741 /nfs/dbraw/zinc/61/57/41/569615741.db2.gz FCGNEJMXFHIAAL-UHFFFAOYSA-N -1 1 471.991 5.620 50 0 JKAAMM CCc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000064558256 569618536 /nfs/dbraw/zinc/61/85/36/569618536.db2.gz HCYQKWJLISMAAT-VWLOTQADSA-N -1 1 475.610 6.012 50 0 JKAAMM COc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000064558243 569618546 /nfs/dbraw/zinc/61/85/46/569618546.db2.gz LWSNSCWBDYSXKO-DEOSSOPVSA-N -1 1 477.582 5.458 50 0 JKAAMM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(SC)cc2)cc1 ZINC000064558204 569618557 /nfs/dbraw/zinc/61/85/57/569618557.db2.gz PSNIJMCUTXHOOX-QHCPKHFHSA-N -1 1 479.623 5.611 50 0 JKAAMM CSc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000064558239 569618580 /nfs/dbraw/zinc/61/85/80/569618580.db2.gz KADGYWZIQYFQCZ-XMMPIXPASA-N -1 1 493.650 6.172 50 0 JKAAMM CCc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000064558217 569618603 /nfs/dbraw/zinc/61/86/03/569618603.db2.gz PGTXKNUBSDBTAC-XMMPIXPASA-N -1 1 461.583 5.451 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1ccc(Br)cc1 ZINC000033020620 569618886 /nfs/dbraw/zinc/61/88/86/569618886.db2.gz AUGBXMIGTCPQPD-UHFFFAOYSA-N -1 1 461.768 6.052 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Cl ZINC000033169045 569621727 /nfs/dbraw/zinc/62/17/27/569621727.db2.gz FANSKSQASXQDFJ-UHFFFAOYSA-N -1 1 465.383 6.080 50 0 JKAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1 ZINC000033169099 569621731 /nfs/dbraw/zinc/62/17/31/569621731.db2.gz HMOXUPVMFFUROL-UHFFFAOYSA-N -1 1 483.829 7.033 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1OC ZINC000033169040 569621763 /nfs/dbraw/zinc/62/17/63/569621763.db2.gz TUVIGBWTWXMJHU-UHFFFAOYSA-N -1 1 460.964 5.435 50 0 JKAAMM CC(C)CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000033274784 569622007 /nfs/dbraw/zinc/62/20/07/569622007.db2.gz NMTDLNJIMHVCRC-UHFFFAOYSA-N -1 1 454.636 5.339 50 0 JKAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3c(C)cc(C)cc3C)[n-]c2=O)cc1 ZINC000064591985 569622076 /nfs/dbraw/zinc/62/20/76/569622076.db2.gz MGIAODVSRXZSDG-UHFFFAOYSA-N -1 1 499.658 5.014 50 0 JKAAMM Cc1cccc(N2CCN(c3nc(=O)c4scc(-c5ccc(Cl)cc5)c4[n-]3)C[C@@H]2C)c1 ZINC000064611598 569622946 /nfs/dbraw/zinc/62/29/46/569622946.db2.gz JDDGHNJGEUGMIM-INIZCTEOSA-N -1 1 450.995 5.329 50 0 JKAAMM O=C(CC(=CC(=C1SC(=S)[N-]C1=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000033887287 569637094 /nfs/dbraw/zinc/63/70/94/569637094.db2.gz CRSZQINWTRBXRQ-PRMAFZJDSA-N -1 1 476.022 7.396 50 0 JKAAMM CC(C)c1ccc(CN2CCCN(c3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)C2=O)cc1 ZINC000034737677 569654571 /nfs/dbraw/zinc/65/45/71/569654571.db2.gz KCFRAAQOMGETIW-UHFFFAOYSA-N -1 1 498.048 6.097 50 0 JKAAMM CC(C)CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000065059778 569654964 /nfs/dbraw/zinc/65/49/64/569654964.db2.gz VCXWADALPBVIPL-UHFFFAOYSA-N -1 1 495.645 5.649 50 0 JKAAMM CCCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000065059790 569654968 /nfs/dbraw/zinc/65/49/68/569654968.db2.gz CJLSYESHOCONRS-UHFFFAOYSA-N -1 1 495.645 5.793 50 0 JKAAMM CC[C@@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000065059748 569655018 /nfs/dbraw/zinc/65/50/18/569655018.db2.gz IICJFVHUMQEESU-LJQANCHMSA-N -1 1 481.618 5.402 50 0 JKAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CCCC3)c2)cc1 ZINC000065059766 569655044 /nfs/dbraw/zinc/65/50/44/569655044.db2.gz ATKSDSDXXBSLOZ-UHFFFAOYSA-N -1 1 493.629 5.546 50 0 JKAAMM COc1cc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc(OC)c1OC ZINC000065060160 569655168 /nfs/dbraw/zinc/65/51/68/569655168.db2.gz KELBHIMEYQMARF-UHFFFAOYSA-N -1 1 462.593 5.069 50 0 JKAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c1 ZINC000065116341 569666270 /nfs/dbraw/zinc/66/62/70/569666270.db2.gz CHBHNNVEHRUMAJ-UHFFFAOYSA-N -1 1 492.395 5.043 50 0 JKAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137514 569668349 /nfs/dbraw/zinc/66/83/49/569668349.db2.gz FHYOGHGNFWQOPE-UHFFFAOYSA-N -1 1 486.663 5.007 50 0 JKAAMM O=C(OCc1ccccc1Cl)c1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1 ZINC000034930186 569673506 /nfs/dbraw/zinc/67/35/06/569673506.db2.gz IXZKJKPNIPFBNO-ODLFYWEKSA-N -1 1 455.944 6.286 50 0 JKAAMM Cc1nc(SCc2nc(-c3ccc(F)c(Br)c3)no2)[n-]c(=O)c1Cc1ccccc1 ZINC000065331003 569675004 /nfs/dbraw/zinc/67/50/04/569675004.db2.gz DSCKSTKJEIBRDK-UHFFFAOYSA-N -1 1 487.354 5.325 50 0 JKAAMM Cc1nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[n-]c(=O)c1Cc1ccccc1 ZINC000065330901 569675008 /nfs/dbraw/zinc/67/50/08/569675008.db2.gz FRXBRMZAPWXTIV-UHFFFAOYSA-N -1 1 458.465 5.443 50 0 JKAAMM O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccccc3OCc3ccccc3)no2)[n-]1 ZINC000065330974 569675075 /nfs/dbraw/zinc/67/50/75/569675075.db2.gz GNPFVJHMFQKWSJ-UHFFFAOYSA-N -1 1 468.538 5.771 50 0 JKAAMM O=c1cc(-c2cccc(Cl)c2)nc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)[n-]1 ZINC000065330980 569675099 /nfs/dbraw/zinc/67/50/99/569675099.db2.gz HHTSYSDVLBQQNB-UHFFFAOYSA-N -1 1 480.855 5.744 50 0 JKAAMM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cc1OC1CCCC1 ZINC000070017565 569694986 /nfs/dbraw/zinc/69/49/86/569694986.db2.gz NRTRBMBROVCDNI-QHCPKHFHSA-N -1 1 474.557 5.119 50 0 JKAAMM CCOc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000071328679 569696980 /nfs/dbraw/zinc/69/69/80/569696980.db2.gz NBMQVDLEVVNIKS-QHCPKHFHSA-N -1 1 463.555 5.034 50 0 JKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(C)c(F)c1 ZINC000035671358 569706056 /nfs/dbraw/zinc/70/60/56/569706056.db2.gz BCYALBDLLGQQES-UHFFFAOYSA-N -1 1 454.457 6.327 50 0 JKAAMM Cc1noc(-c2ccc(C)cc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000035672307 569706411 /nfs/dbraw/zinc/70/64/11/569706411.db2.gz KVNHYFWMPAHAIN-UHFFFAOYSA-N -1 1 470.912 6.841 50 0 JKAAMM O=C(c1ccccc1)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccco1 ZINC000035683991 569706694 /nfs/dbraw/zinc/70/66/94/569706694.db2.gz CSMKXXLFPDYSDQ-XMMPIXPASA-N -1 1 471.538 5.072 50 0 JKAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000085412224 569710500 /nfs/dbraw/zinc/71/05/00/569710500.db2.gz AGXGTHZSBXDUAD-OAQYLSRUSA-N -1 1 457.983 5.884 50 0 JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(C(C)C)cc3)CC(=O)O4)c2=O)cc1 ZINC000085875627 569715900 /nfs/dbraw/zinc/71/59/00/569715900.db2.gz BNIFIOCMZQXQBN-HXUWFJFHSA-N -1 1 456.494 5.739 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(C(C)C)cc2)cc1 ZINC000085875627 569715901 /nfs/dbraw/zinc/71/59/01/569715901.db2.gz BNIFIOCMZQXQBN-HXUWFJFHSA-N -1 1 456.494 5.739 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cccc3ccccc32)cc1 ZINC000085877984 569715996 /nfs/dbraw/zinc/71/59/96/569715996.db2.gz LMBALRLGSQCFTD-NRFANRHFSA-N -1 1 464.473 5.768 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(OC(C)C)cc3)CC(=O)O4)c2=O)cc1 ZINC000085876989 569716041 /nfs/dbraw/zinc/71/60/41/569716041.db2.gz CDDHAXIBBPNNSQ-HXUWFJFHSA-N -1 1 472.493 5.402 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OC(C)C)cc2)cc1 ZINC000085876989 569716042 /nfs/dbraw/zinc/71/60/42/569716042.db2.gz CDDHAXIBBPNNSQ-HXUWFJFHSA-N -1 1 472.493 5.402 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2coc3ccc(C)cc3c2=O)cc1 ZINC000085879190 569716279 /nfs/dbraw/zinc/71/62/79/569716279.db2.gz DSZYJMVYZVMKCX-QGZVFWFLSA-N -1 1 496.471 5.030 50 0 biogenic JKAAMM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000095350578 569722632 /nfs/dbraw/zinc/72/26/32/569722632.db2.gz FLVVCLVRXLKGNX-UHFFFAOYSA-N -1 1 458.543 5.187 50 0 JKAAMM CC[C@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2O[C@@H](CC)C1=O ZINC000035910038 569725220 /nfs/dbraw/zinc/72/52/20/569725220.db2.gz KYPSQRSFGYCPMD-RPBOFIJWSA-N -1 1 496.604 5.586 50 0 JKAAMM CC[C@@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2O[C@@H](CC)C1=O ZINC000035910036 569725225 /nfs/dbraw/zinc/72/52/25/569725225.db2.gz KYPSQRSFGYCPMD-DQEYMECFSA-N -1 1 496.604 5.586 50 0 JKAAMM CC[C@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2O[C@H](CC)C1=O ZINC000035910037 569725251 /nfs/dbraw/zinc/72/52/51/569725251.db2.gz KYPSQRSFGYCPMD-JWQCQUIFSA-N -1 1 496.604 5.586 50 0 JKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc([C@H]3SCC(=O)N3c3ccc(F)cc3)c2)cc1 ZINC000035910285 569725527 /nfs/dbraw/zinc/72/55/27/569725527.db2.gz DRHQIMYVFNKVLP-XMMPIXPASA-N -1 1 484.618 5.703 50 0 JKAAMM O=C1CS[C@@H](c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)N1c1ccccc1F ZINC000035910249 569725585 /nfs/dbraw/zinc/72/55/85/569725585.db2.gz FJRVYGRISKSMAR-NRFANRHFSA-N -1 1 462.955 5.059 50 0 JKAAMM Cc1cccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)c1 ZINC000035910507 569725805 /nfs/dbraw/zinc/72/58/05/569725805.db2.gz DJGXXDICSLHDID-SANMLTNESA-N -1 1 474.607 5.728 50 0 JKAAMM CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000035910520 569725827 /nfs/dbraw/zinc/72/58/27/569725827.db2.gz TZQGEURMXWCJLT-XMMPIXPASA-N -1 1 452.601 5.389 50 0 JKAAMM Cc1cccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000035910509 569725850 /nfs/dbraw/zinc/72/58/50/569725850.db2.gz VPDWZPFPEXMLQT-VWLOTQADSA-N -1 1 480.655 5.872 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1C ZINC000035910954 569726204 /nfs/dbraw/zinc/72/62/04/569726204.db2.gz VDEMDWGVBWOHEV-HSZRJFAPSA-N -1 1 456.564 5.022 50 0 JKAAMM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)ccc1Br ZINC000098071663 569750161 /nfs/dbraw/zinc/75/01/61/569750161.db2.gz LAACVCCANYGRHR-UHFFFAOYSA-N -1 1 473.108 5.340 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)c(C)c1 ZINC000035912483 569727507 /nfs/dbraw/zinc/72/75/07/569727507.db2.gz IJGYVAPVZPKNAD-MHZLTWQESA-N -1 1 488.634 6.036 50 0 JKAAMM CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035927663 569730705 /nfs/dbraw/zinc/73/07/05/569730705.db2.gz GKKFCNTYFRJHGA-DEOSSOPVSA-N -1 1 470.591 5.529 50 0 JKAAMM C[C@H]1Oc2ccccc2C=C1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096115782 569734749 /nfs/dbraw/zinc/73/47/49/569734749.db2.gz LBPOKOVKEVUSKJ-KUHUBIRLSA-N -1 1 468.461 5.128 50 0 biogenic JKAAMM C[C@H]1Oc2ccccc2C=C1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096115782 569734750 /nfs/dbraw/zinc/73/47/50/569734750.db2.gz LBPOKOVKEVUSKJ-KUHUBIRLSA-N -1 1 468.461 5.128 50 0 biogenic JKAAMM CC(C)Oc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096115809 569734830 /nfs/dbraw/zinc/73/48/30/569734830.db2.gz NUROWUSADGXUDA-LJQANCHMSA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM CC(C)Oc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096115809 569734831 /nfs/dbraw/zinc/73/48/31/569734831.db2.gz NUROWUSADGXUDA-LJQANCHMSA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)S1 ZINC000096116607 569735409 /nfs/dbraw/zinc/73/54/09/569735409.db2.gz IWJRWEXSYILGGN-KXBFYZLASA-N -1 1 457.987 5.236 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)S1 ZINC000096116606 569735440 /nfs/dbraw/zinc/73/54/40/569735440.db2.gz IWJRWEXSYILGGN-BEFAXECRSA-N -1 1 457.987 5.236 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2OCc2ccccn2)S1 ZINC000096116658 569735450 /nfs/dbraw/zinc/73/54/50/569735450.db2.gz GCEWQAZEMHAPKE-PGRDOPGGSA-N -1 1 464.591 5.167 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)S1 ZINC000096116608 569735452 /nfs/dbraw/zinc/73/54/52/569735452.db2.gz IWJRWEXSYILGGN-DNVCBOLYSA-N -1 1 457.987 5.236 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(Br)cc2F)S1 ZINC000096117174 569735548 /nfs/dbraw/zinc/73/55/48/569735548.db2.gz CISDJWDCWFQQOV-WBMJQRKESA-N -1 1 454.365 5.094 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(OCc3ccccn3)cc2)S1 ZINC000096117162 569735656 /nfs/dbraw/zinc/73/56/56/569735656.db2.gz UFQMHRUCSVCBSM-UGKGYDQZSA-N -1 1 464.591 5.167 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(OCc3ccccn3)cc2)S1 ZINC000096117161 569735694 /nfs/dbraw/zinc/73/56/94/569735694.db2.gz UFQMHRUCSVCBSM-KNQAVFIVSA-N -1 1 464.591 5.167 50 0 JKAAMM Cn1c(C(=O)NCc2ccccc2)cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000036007841 569747738 /nfs/dbraw/zinc/74/77/38/569747738.db2.gz ODRNTUUOYMFYTE-UHFFFAOYSA-N -1 1 475.614 5.207 50 0 JKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(=O)NCc4ccccc4)cc3c2)cc1 ZINC000036007834 569747749 /nfs/dbraw/zinc/74/77/49/569747749.db2.gz IENRTXIXEVBQPD-UHFFFAOYSA-N -1 1 461.587 5.196 50 0 JKAAMM COc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000100065338 569752254 /nfs/dbraw/zinc/75/22/54/569752254.db2.gz WMMYQFDQTLOUMA-UHFFFAOYSA-N -1 1 496.567 5.283 50 0 JKAAMM Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3C)C([O-])=C2ON1c1ccccc1 ZINC000101144582 569784470 /nfs/dbraw/zinc/78/44/70/569784470.db2.gz XIHVMRAZUQUDDW-SDHSZQHLSA-N -1 1 471.944 5.489 50 0 JKAAMM CCOc1ccc(-c2c(C)[n-]n3c2nc(C)c(NCCc2c[nH]c4ccccc24)c3=O)cc1OCC ZINC000101438607 569797537 /nfs/dbraw/zinc/79/75/37/569797537.db2.gz AZSHBLSZCUOTTM-UHFFFAOYSA-N -1 1 485.588 5.652 50 0 JKAAMM Cc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3[O-])=Nc3ccccc3S2)s1 ZINC000101494738 569799848 /nfs/dbraw/zinc/79/98/48/569799848.db2.gz GZRYPMJMDOUUAX-HXUWFJFHSA-N -1 1 496.013 5.613 50 0 JKAAMM Cc1ccsc1[C@H]1CC(c2c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c2[O-])=Nc2ccccc2S1 ZINC000101494821 569800148 /nfs/dbraw/zinc/80/01/48/569800148.db2.gz TYMHARCVTGXEMT-LJQANCHMSA-N -1 1 496.013 5.613 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(OCC)cc3)C2)c(=O)[nH]c1=S ZINC000101495232 569800388 /nfs/dbraw/zinc/80/03/88/569800388.db2.gz GEQLCYLTWRTJAS-NRFANRHFSA-N -1 1 481.643 6.168 50 0 JKAAMM O=C(c1ccc(Cl)cc1)c1c(=O)[n-]c2nc3n(c(=O)c2c1-c1ccc(Cl)cc1)CCCCC3 ZINC000101735669 569803459 /nfs/dbraw/zinc/80/34/59/569803459.db2.gz GRHCUDZFMZHTRG-UHFFFAOYSA-N -1 1 480.351 5.016 50 0 JKAAMM Cc1cc(C)cc(-n2c([O-])c(C3=Nc4ccccc4S[C@H](c4ccccc4)C3)c(=O)[nH]c2=O)c1 ZINC000101766789 569804886 /nfs/dbraw/zinc/80/48/86/569804886.db2.gz SUALRPWAXMYCHE-QHCPKHFHSA-N -1 1 469.566 5.206 50 0 JKAAMM Cc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3[O-])=Nc3ccccc3S2)s1 ZINC000101766828 569805076 /nfs/dbraw/zinc/80/50/76/569805076.db2.gz SPBKRRCCUPSRDJ-JOCHJYFZSA-N -1 1 489.622 5.576 50 0 JKAAMM Cc1nc2[n-]c(N(Cc3cccs3)C(=O)C3CCCCC3)nn2c(=O)c1Cc1ccc(Cl)cc1 ZINC000101861530 569806582 /nfs/dbraw/zinc/80/65/82/569806582.db2.gz BMLYDYZPQONLTJ-UHFFFAOYSA-N -1 1 496.036 5.145 50 0 JKAAMM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707307 569816503 /nfs/dbraw/zinc/81/65/03/569816503.db2.gz IWRYMFUIBSOYMV-CCDWMCETSA-N -1 1 454.913 5.544 50 0 JKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000040135073 569817227 /nfs/dbraw/zinc/81/72/27/569817227.db2.gz QUOJZQZVMGLPGH-QFIPXVFZSA-N -1 1 473.598 5.297 50 0 JKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000040135074 569817295 /nfs/dbraw/zinc/81/72/95/569817295.db2.gz QUOJZQZVMGLPGH-JOCHJYFZSA-N -1 1 473.598 5.297 50 0 JKAAMM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102727700 569817876 /nfs/dbraw/zinc/81/78/76/569817876.db2.gz MCHXRCKPXYDWTL-TZRRMPRUSA-N -1 1 469.928 5.248 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102750880 569820770 /nfs/dbraw/zinc/82/07/70/569820770.db2.gz WYSNQLAPGDPWBR-ZONZVBGPSA-N -1 1 486.568 5.234 50 0 JKAAMM O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000040160774 569822775 /nfs/dbraw/zinc/82/27/75/569822775.db2.gz YDCRTEQYDADEOI-UHFFFAOYSA-N -1 1 468.934 5.708 50 0 JKAAMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000040476999 569829537 /nfs/dbraw/zinc/82/95/37/569829537.db2.gz LCADSYWWLKMYRF-UHFFFAOYSA-N -1 1 495.453 6.224 50 0 JKAAMM Cc1cc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)nc2[O-])ccc1F ZINC000040484944 569829917 /nfs/dbraw/zinc/82/99/17/569829917.db2.gz WJSVFIOQLBJDCI-DNQXCXABSA-N -1 1 486.572 5.312 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000104082648 569840520 /nfs/dbraw/zinc/84/05/20/569840520.db2.gz UTCYFHTZJRINDC-WRONEBCDSA-N -1 1 484.527 6.241 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000104082658 569840538 /nfs/dbraw/zinc/84/05/38/569840538.db2.gz UTCYFHTZJRINDC-ACSYHNTCSA-N -1 1 484.527 6.241 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cccs1 ZINC000104082674 569840541 /nfs/dbraw/zinc/84/05/41/569840541.db2.gz JOISOZCMNGDPJM-SOKVYYICSA-N -1 1 490.556 6.302 50 0 JKAAMM C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421198 569846927 /nfs/dbraw/zinc/84/69/27/569846927.db2.gz FFHAUUYEASUADS-SIKLNZKXSA-N -1 1 486.641 5.006 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C2)nc3=O)cc1 ZINC000049421293 569846989 /nfs/dbraw/zinc/84/69/89/569846989.db2.gz JOVFKCHJUHNQGI-LJQANCHMSA-N -1 1 493.032 5.146 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCCC4=CCCCC4)C2)nc3=O)cc1 ZINC000049421269 569847070 /nfs/dbraw/zinc/84/70/70/569847070.db2.gz HEFGPHFARXBGRD-OAQYLSRUSA-N -1 1 476.646 5.183 50 0 JKAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N[C@H](C)c4ccccc4)CC2)nc3=O)c1 ZINC000049421388 569847217 /nfs/dbraw/zinc/84/72/17/569847217.db2.gz WJSBBDRCMMPKMF-GOSISDBHSA-N -1 1 472.614 5.054 50 0 JKAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCCC4=CCCCC4)CC2)nc3=O)c1 ZINC000049421374 569847282 /nfs/dbraw/zinc/84/72/82/569847282.db2.gz XQLMJSVTKCGEHN-UHFFFAOYSA-N -1 1 476.646 5.183 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)N[C@H](C)c4ccccc4)C2)nc3=O)cc1 ZINC000106002012 569853667 /nfs/dbraw/zinc/85/36/67/569853667.db2.gz SFFVKDORCFDUOD-NQIIRXRSSA-N -1 1 472.614 5.054 50 0 JKAAMM CC(C)(C)c1cc(N2C(=O)C(c3ccc(Br)cc3)=C([O-])C2=C(O)c2ccccc2)no1 ZINC000137089552 569864829 /nfs/dbraw/zinc/86/48/29/569864829.db2.gz KGILIKLHVCXISF-FQEVSTJZSA-N -1 1 481.346 5.302 50 0 JKAAMM O=C(c1ccco1)N1N=C(c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2)C[C@H]1c1ccco1 ZINC000170618895 569873094 /nfs/dbraw/zinc/87/30/94/569873094.db2.gz RNHKIXORODNEHT-NRFANRHFSA-N -1 1 495.944 5.318 50 0 JKAAMM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1 ZINC000229953773 570042617 /nfs/dbraw/zinc/04/26/17/570042617.db2.gz ROOIBETVYZGEJE-OYUWMTPXSA-N -1 1 464.521 5.290 50 0 JKAAMM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1Cl ZINC000229953586 570042691 /nfs/dbraw/zinc/04/26/91/570042691.db2.gz KGDAWQUMZNCGLS-JIMJEQGWSA-N -1 1 468.940 5.853 50 0 JKAAMM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000229953698 570042700 /nfs/dbraw/zinc/04/27/00/570042700.db2.gz RQHFDMPZWSUWKG-ISJGIBHGSA-N -1 1 499.364 5.653 50 0 JKAAMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1Cl ZINC000245310735 570063368 /nfs/dbraw/zinc/06/33/68/570063368.db2.gz KGDAWQUMZNCGLS-TWJOJJKGSA-N -1 1 468.940 5.853 50 0 JKAAMM CCCC[C@H](CC)[C@@H]1c2c(O)n(-c3ccc(Br)cc3)c(O)c2ON1c1ccccc1 ZINC000245312299 570063698 /nfs/dbraw/zinc/06/36/98/570063698.db2.gz TUOGVVHZFULDKU-ZIPUMODLSA-N -1 1 471.395 5.344 50 0 JKAAMM O=C(c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000252498151 570082093 /nfs/dbraw/zinc/08/20/93/570082093.db2.gz QVHULUMKQNRCEC-DEOSSOPVSA-N -1 1 471.538 5.072 50 0 JKAAMM O=C(c1ccco1)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000252498438 570082239 /nfs/dbraw/zinc/08/22/39/570082239.db2.gz RCEXKCZDTRQXTM-NRFANRHFSA-N -1 1 495.944 5.318 50 0 JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc5ncccc5c3)CC(=O)O4)c2=O)cc1OC ZINC000263585541 570171224 /nfs/dbraw/zinc/17/12/24/570171224.db2.gz JVTQXRAZPBJQKO-SFHVURJKSA-N -1 1 495.487 5.172 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc3ncccc3c2)cc1OC ZINC000263585541 570171225 /nfs/dbraw/zinc/17/12/25/570171225.db2.gz JVTQXRAZPBJQKO-SFHVURJKSA-N -1 1 495.487 5.172 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](C3=Cc5ccccc5OC3)CC(=O)O4)c2=O)cc1OC ZINC000263586512 570171759 /nfs/dbraw/zinc/17/17/59/570171759.db2.gz VDJSOVMZKIXPMQ-GOSISDBHSA-N -1 1 498.487 5.052 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4C2=Cc3ccccc3OC2)cc1OC ZINC000263586512 570171760 /nfs/dbraw/zinc/17/17/60/570171760.db2.gz VDJSOVMZKIXPMQ-GOSISDBHSA-N -1 1 498.487 5.052 50 0 biogenic JKAAMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)c2)cc1 ZINC000263639882 570173831 /nfs/dbraw/zinc/17/38/31/570173831.db2.gz MZFZANZLNKTEPD-UHFFFAOYSA-N -1 1 479.911 6.037 50 0 JKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)cc2)cc1 ZINC000263639974 570173877 /nfs/dbraw/zinc/17/38/77/570173877.db2.gz QROXRLSWOHVFBO-UHFFFAOYSA-N -1 1 479.911 6.037 50 0 JKAAMM CCC(C)(C)[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3c2C1 ZINC000000645622 193871998 /nfs/dbraw/zinc/87/19/98/193871998.db2.gz XLBVRSRQQGMDQS-HNNXBMFYSA-N -1 1 476.436 6.537 50 0 JKAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)c1 ZINC000001003647 194001758 /nfs/dbraw/zinc/00/17/58/194001758.db2.gz ZKPYEENKRUAOKB-UHFFFAOYSA-N -1 1 459.365 5.119 50 0 JKAAMM Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000001062750 194012611 /nfs/dbraw/zinc/01/26/11/194012611.db2.gz QPAPYSSTTIDNOL-UHFFFAOYSA-N -1 1 479.783 5.464 50 0 JKAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)c1 ZINC000001093059 194022466 /nfs/dbraw/zinc/02/24/66/194022466.db2.gz SGXQALSRXDZSBE-UHFFFAOYSA-N -1 1 461.008 5.488 50 0 JKAAMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000001096271 194023420 /nfs/dbraw/zinc/02/34/20/194023420.db2.gz XCOHMGAZTCGXGQ-UHFFFAOYSA-N -1 1 461.008 5.570 50 0 JKAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc2ccccc2c1 ZINC000001116668 194030565 /nfs/dbraw/zinc/03/05/65/194030565.db2.gz HOOSYTFGPJJCGP-UHFFFAOYSA-N -1 1 472.975 5.095 50 0 JKAAMM Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000001143959 194046438 /nfs/dbraw/zinc/04/64/38/194046438.db2.gz NYHYBBCGFFUCQT-UHFFFAOYSA-N -1 1 480.533 5.545 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(Br)cc1 ZINC000001152274 194051311 /nfs/dbraw/zinc/05/13/11/194051311.db2.gz MECVOYRXOZXWMV-UHFFFAOYSA-N -1 1 481.371 5.655 50 0 JKAAMM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001153253 194051675 /nfs/dbraw/zinc/05/16/75/194051675.db2.gz CQRUIBRGYASXLG-UHFFFAOYSA-N -1 1 471.534 5.194 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)cc2)c1 ZINC000001202221 194068817 /nfs/dbraw/zinc/06/88/17/194068817.db2.gz QRPLRNGQYWCLNH-UHFFFAOYSA-N -1 1 493.588 6.263 50 0 JKAAMM Cc1ccc2oc(-c3cc(NC(=O)c4ccc(I)cc4)ccc3[O-])nc2c1 ZINC000001207958 194070585 /nfs/dbraw/zinc/07/05/85/194070585.db2.gz PZVNSIJOUWIQNX-UHFFFAOYSA-N -1 1 470.266 5.366 50 0 JKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000001251840 194080115 /nfs/dbraw/zinc/08/01/15/194080115.db2.gz LCFQAVXMORLZAL-DBXWQHBBSA-N -1 1 499.272 5.357 50 0 JKAAMM COC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000001431510 194119878 /nfs/dbraw/zinc/11/98/78/194119878.db2.gz ORSFCPPFGHUNCN-UHFFFAOYSA-N -1 1 456.608 5.312 50 0 JKAAMM O=S(=O)([N-]c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc(Cl)cc1 ZINC000001392032 194114396 /nfs/dbraw/zinc/11/43/96/194114396.db2.gz YMFINWCCPLXMTI-UHFFFAOYSA-N -1 1 461.292 5.799 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1F ZINC000001408984 194116266 /nfs/dbraw/zinc/11/62/66/194116266.db2.gz YKLYNOHWRPFQOH-ADXZGYQBSA-N -1 1 484.527 6.241 50 0 JKAAMM Cc1ccc(CNC(=O)c2ccc(N3CCCCC3)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000002941176 194174875 /nfs/dbraw/zinc/17/48/75/194174875.db2.gz XOQNGKASXRQYSG-UHFFFAOYSA-N -1 1 477.630 5.025 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3Cl)ccc2N2CCCCC2)cc1 ZINC000003007804 194202662 /nfs/dbraw/zinc/20/26/62/194202662.db2.gz 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Cc1nc2ccc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccccc4F)c(Cl)cc3Cl)cc2o1 ZINC000024978652 556167460 /nfs/dbraw/zinc/16/74/60/556167460.db2.gz RESBKHJEXDISSJ-UHFFFAOYSA-N -1 1 494.331 5.635 50 0 JKAAMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)c(C)cc1Cl ZINC000017010272 556199809 /nfs/dbraw/zinc/19/98/09/556199809.db2.gz IDLNUEZETFENBV-UHFFFAOYSA-N -1 1 471.026 5.451 50 0 JKAAMM O=C1C[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000017045357 556210765 /nfs/dbraw/zinc/21/07/65/556210765.db2.gz KDJXXYAYXWYZRL-OAQYLSRUSA-N -1 1 457.917 5.143 50 0 JKAAMM COc1cc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)ccc1OCc1ccccc1Cl ZINC000017058120 556214404 /nfs/dbraw/zinc/21/44/04/556214404.db2.gz OMLKQYVGYYJNLK-IBGZPJMESA-N -1 1 487.943 5.152 50 0 JKAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1)Nc1ccccc1F ZINC000017177945 556232802 /nfs/dbraw/zinc/23/28/02/556232802.db2.gz UDNTZDQHEKBQFD-UHFFFAOYSA-N -1 1 478.983 5.028 50 0 JKAAMM CCOc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000017180602 556234807 /nfs/dbraw/zinc/23/48/07/556234807.db2.gz DMRGHHCDPKFISP-DFOZZHOTSA-N -1 1 471.603 6.893 50 0 JKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3cccs3)ccc2N2CCCCC2)cc1 ZINC000013040897 556245071 /nfs/dbraw/zinc/24/50/71/556245071.db2.gz LKMMTPRDEBVFPA-UHFFFAOYSA-N -1 1 499.658 5.119 50 0 JKAAMM COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000013070688 556268054 /nfs/dbraw/zinc/26/80/54/556268054.db2.gz QROCFIJIOMRCEA-UHFFFAOYSA-N -1 1 484.883 5.421 50 0 JKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000017960268 556272730 /nfs/dbraw/zinc/27/27/30/556272730.db2.gz RTULGYFPWHZERJ-UHFFFAOYSA-N -1 1 463.632 5.322 50 0 JKAAMM COCc1cc(=O)[n-]c(Sc2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2Cl)n1 ZINC000017993855 556275011 /nfs/dbraw/zinc/27/50/11/556275011.db2.gz IIDKHPWEVDLXQI-UHFFFAOYSA-N -1 1 460.342 5.295 50 0 JKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3cccs3)ccc2N2CCCCC2)cc1 ZINC000013075066 556276057 /nfs/dbraw/zinc/27/60/57/556276057.db2.gz RBKKJPYGSRZXBS-WYMLVPIESA-N -1 1 497.642 5.200 50 0 JKAAMM CCOC(=O)c1c(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccc2)sc2c1CCCC2 ZINC000027520231 556283016 /nfs/dbraw/zinc/28/30/16/556283016.db2.gz QOZOLAWDLHCQSD-GNVQSUKOSA-N -1 1 488.565 5.740 50 0 JKAAMM COc1ccc([C@H](CNC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000018074723 556283879 /nfs/dbraw/zinc/28/38/79/556283879.db2.gz QTLJOZDKYFMIOQ-IBGZPJMESA-N -1 1 489.626 5.107 50 0 JKAAMM CCC(C)(C)[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(Cl)cc4)c4ccccc34)c2C1 ZINC000027552255 556296795 /nfs/dbraw/zinc/29/67/95/556296795.db2.gz DUPYUZIAXFSDGT-KRWDZBQOSA-N -1 1 482.045 7.581 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccccc1 ZINC000028156648 556315974 /nfs/dbraw/zinc/31/59/74/556315974.db2.gz JKGLFSNRJCEUTA-GOTSBHOMSA-N -1 1 472.545 5.004 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccccc1 ZINC000028156641 556316137 /nfs/dbraw/zinc/31/61/37/556316137.db2.gz JKGLFSNRJCEUTA-PKTZIBPZSA-N -1 1 472.545 5.004 50 0 JKAAMM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000018323392 556319618 /nfs/dbraw/zinc/31/96/18/556319618.db2.gz DGPDLHVHLXWXGT-NPMXOYFQSA-N -1 1 467.518 5.010 50 0 biogenic JKAAMM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000018323392 556319619 /nfs/dbraw/zinc/31/96/19/556319619.db2.gz DGPDLHVHLXWXGT-NPMXOYFQSA-N -1 1 467.518 5.010 50 0 biogenic JKAAMM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000029632428 556354545 /nfs/dbraw/zinc/35/45/45/556354545.db2.gz LDGDWDSNKSTIHH-UHFFFAOYSA-N -1 1 489.041 5.100 50 0 JKAAMM COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4ccc(Cl)cc42)CC3)cc1OC ZINC000031816905 556407468 /nfs/dbraw/zinc/40/74/68/556407468.db2.gz HTZJWXPFFQYEON-JOCHJYFZSA-N -1 1 483.977 5.146 50 0 JKAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(OCc3cccc(C)c3)cc2)cc1 ZINC000031932084 556411088 /nfs/dbraw/zinc/41/10/88/556411088.db2.gz RVETZLZEPMKZEX-UHFFFAOYSA-N -1 1 488.613 5.210 50 0 JKAAMM O=C(Nc1ccc(-c2nc3cnccc3o2)c([O-])c1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000032105275 556417855 /nfs/dbraw/zinc/41/78/55/556417855.db2.gz RIZKEEKRUZWFAL-UHFFFAOYSA-N -1 1 476.286 5.870 50 0 JKAAMM CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc21 ZINC000032943881 556556031 /nfs/dbraw/zinc/55/60/31/556556031.db2.gz IHGAWCLKYNVXIO-SNVBAGLBSA-N -1 1 464.918 5.007 50 0 JKAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000032948563 556564358 /nfs/dbraw/zinc/56/43/58/556564358.db2.gz RWJDPIXJPFJNFR-UHFFFAOYSA-N -1 1 494.545 5.254 50 0 JKAAMM Cc1ccc(-n2c3nc(SCc4cccc(C(F)(F)F)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948585 556564397 /nfs/dbraw/zinc/56/43/97/556564397.db2.gz TXRDSDMZENWASA-UHFFFAOYSA-N -1 1 465.547 6.124 50 0 JKAAMM COc1ccc(Cl)cc1-n1c2nc(SCCOc3ccccc3)[n-]c(=O)c2sc1=S ZINC000032948682 556564641 /nfs/dbraw/zinc/56/46/41/556564641.db2.gz VQSPMGXZYPZMRU-UHFFFAOYSA-N -1 1 478.020 5.338 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008595432 562943847 /nfs/dbraw/zinc/94/38/47/562943847.db2.gz KEFIZCPJCNWBHF-RUZDIDTESA-N -1 1 471.582 6.188 50 0 aggregator JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008595432 562943848 /nfs/dbraw/zinc/94/38/48/562943848.db2.gz KEFIZCPJCNWBHF-RUZDIDTESA-N -1 1 471.582 6.188 50 0 aggregator JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008595449 562943886 /nfs/dbraw/zinc/94/38/86/562943886.db2.gz XJPSEKVZHWXAJM-DEOSSOPVSA-N -1 1 473.554 5.463 50 0 aggregator JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008595449 562943887 /nfs/dbraw/zinc/94/38/87/562943887.db2.gz XJPSEKVZHWXAJM-DEOSSOPVSA-N -1 1 473.554 5.463 50 0 aggregator JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000008595846 562944203 /nfs/dbraw/zinc/94/42/03/562944203.db2.gz IPJFMMUNGFVXQN-QHCPKHFHSA-N -1 1 459.527 5.073 50 0 aggregator JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000008595846 562944205 /nfs/dbraw/zinc/94/42/05/562944205.db2.gz IPJFMMUNGFVXQN-QHCPKHFHSA-N -1 1 459.527 5.073 50 0 aggregator JKAAMM Cc1cc(OCCCSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[n-]n32)ccc1Cl ZINC000008673348 562950121 /nfs/dbraw/zinc/95/01/21/562950121.db2.gz KZQGPFWXAIIZPC-UHFFFAOYSA-N -1 1 483.037 5.905 50 0 aggregator JKAAMM O=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000008686656 562952854 /nfs/dbraw/zinc/95/28/54/562952854.db2.gz GXNWQBGSHNETMO-UHFFFAOYSA-N -1 1 468.884 5.090 50 0 JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@@H](C(C)(C)C)C4)cc1C ZINC000008439292 569589738 /nfs/dbraw/zinc/58/97/38/569589738.db2.gz OJCRRAMZLJEJQQ-HXUWFJFHSA-N -1 1 475.654 7.463 50 0 JKAAMM COc1ccc(C(C)=O)cc1CSc1nc(C)c(Cc2ccc(OCC(C)C)cc2)c(=O)[n-]1 ZINC000008441861 569590371 /nfs/dbraw/zinc/59/03/71/569590371.db2.gz AHXGOQSJAJFTGW-UHFFFAOYSA-N -1 1 466.603 5.620 50 0 JKAAMM COc1ccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2OC)cc1 ZINC000008718988 569597307 /nfs/dbraw/zinc/59/73/07/569597307.db2.gz HJUCOBMKJNMIDZ-UHFFFAOYSA-N -1 1 488.565 5.424 50 0 JKAAMM COc1ccc(-c2cc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)ccc2OC)cc1 ZINC000008720243 569597903 /nfs/dbraw/zinc/59/79/03/569597903.db2.gz UXLGRLGPMQAVIU-UHFFFAOYSA-N -1 1 488.565 5.424 50 0 JKAAMM Cc1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007844 569615567 /nfs/dbraw/zinc/61/55/67/569615567.db2.gz MFOMRIJIDZEUGP-UHFFFAOYSA-N -1 1 479.627 5.856 50 0 JKAAMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007837 569615609 /nfs/dbraw/zinc/61/56/09/569615609.db2.gz XVCQQWDJLFLTCS-UHFFFAOYSA-N -1 1 451.573 5.275 50 0 JKAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007833 569615628 /nfs/dbraw/zinc/61/56/28/569615628.db2.gz WPQFCVZIOOAARH-UHFFFAOYSA-N -1 1 477.611 5.537 50 0 JKAAMM O=C(Nc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2s1)c1ccccc1 ZINC000033007651 569615652 /nfs/dbraw/zinc/61/56/52/569615652.db2.gz CMAFANTZCOJGQE-UHFFFAOYSA-N -1 1 463.584 5.228 50 0 JKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)c1 ZINC000033007825 569615655 /nfs/dbraw/zinc/61/56/55/569615655.db2.gz MGSFUQJGWUGDHM-UHFFFAOYSA-N -1 1 451.573 5.275 50 0 JKAAMM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008007 569615737 /nfs/dbraw/zinc/61/57/37/569615737.db2.gz GTGLMEZKNHMJIT-UHFFFAOYSA-N -1 1 473.963 5.011 50 0 JKAAMM COc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007985 569615779 /nfs/dbraw/zinc/61/57/79/569615779.db2.gz FDRYCUYOMCURMN-UHFFFAOYSA-N -1 1 495.626 5.656 50 0 JKAAMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007995 569615788 /nfs/dbraw/zinc/61/57/88/569615788.db2.gz ROXWUWJZADKYBH-UHFFFAOYSA-N -1 1 491.953 5.151 50 0 JKAAMM CCc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000064558255 569618530 /nfs/dbraw/zinc/61/85/30/569618530.db2.gz HCYQKWJLISMAAT-RUZDIDTESA-N -1 1 475.610 6.012 50 0 JKAAMM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000064558262 569618538 /nfs/dbraw/zinc/61/85/38/569618538.db2.gz GUJKHQSAMVNLEF-SANMLTNESA-N -1 1 489.637 6.573 50 0 JKAAMM CCOc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000064558259 569618599 /nfs/dbraw/zinc/61/85/99/569618599.db2.gz FOIARYSNJUOCLP-VWLOTQADSA-N -1 1 491.609 5.849 50 0 JKAAMM CSc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000064558240 569618632 /nfs/dbraw/zinc/61/86/32/569618632.db2.gz KADGYWZIQYFQCZ-DEOSSOPVSA-N -1 1 493.650 6.172 50 0 JKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)cc1 ZINC000064580861 569620764 /nfs/dbraw/zinc/62/07/64/569620764.db2.gz YBSKGFWZGQODQK-UHFFFAOYSA-N -1 1 485.606 5.092 50 0 JKAAMM CC(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033025789 569620816 /nfs/dbraw/zinc/62/08/16/569620816.db2.gz HYUOXCISVWVWOM-UHFFFAOYSA-N -1 1 482.005 6.274 50 0 JKAAMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1 ZINC000033169100 569621723 /nfs/dbraw/zinc/62/17/23/569621723.db2.gz RRFSTQKSKUECAW-UHFFFAOYSA-N -1 1 463.411 6.633 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000033169097 569621781 /nfs/dbraw/zinc/62/17/81/569621781.db2.gz KSCZJAJEFDTEDW-UHFFFAOYSA-N -1 1 471.337 6.349 50 0 JKAAMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1 ZINC000033169096 569621807 /nfs/dbraw/zinc/62/18/07/569621807.db2.gz FUEUJHOUWPAILD-UHFFFAOYSA-N -1 1 467.374 6.518 50 0 JKAAMM CCOC(=O)c1ccc(NC(=S)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000034703270 569649340 /nfs/dbraw/zinc/64/93/40/569649340.db2.gz AEPALJLWULCZCQ-UHFFFAOYSA-N -1 1 490.006 5.126 50 0 JKAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC(C)C)c2)cc1 ZINC000065059717 569654844 /nfs/dbraw/zinc/65/48/44/569654844.db2.gz XWWDLYJFJAQXKW-UHFFFAOYSA-N -1 1 467.591 5.011 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NCCC(C)C)c2)c(C)c1 ZINC000065059776 569655042 /nfs/dbraw/zinc/65/50/42/569655042.db2.gz KWKATBQFAURPAU-UHFFFAOYSA-N -1 1 467.591 5.067 50 0 JKAAMM O=C(NC1CC1)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000065059893 569655172 /nfs/dbraw/zinc/65/51/72/569655172.db2.gz LCMJFGOCKKEXRN-UHFFFAOYSA-N -1 1 491.613 5.615 50 0 JKAAMM CCCCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000065063600 569657043 /nfs/dbraw/zinc/65/70/43/569657043.db2.gz ASLCMSVVJVVPAY-UHFFFAOYSA-N -1 1 473.982 5.248 50 0 JKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000034828723 569663001 /nfs/dbraw/zinc/66/30/01/569663001.db2.gz GDWJBLZVPDECHM-LZYBPNLTSA-N -1 1 468.478 5.061 50 0 JKAAMM O=c1cc(-c2ccc(Cl)cc2)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[n-]1 ZINC000065330969 569674979 /nfs/dbraw/zinc/67/49/79/569674979.db2.gz YAXBYKDOMLIZFH-UHFFFAOYSA-N -1 1 464.856 5.864 50 0 JKAAMM CC(C)(C)c1ccc(-c2noc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[n-]3)n2)cc1 ZINC000065330982 569675021 /nfs/dbraw/zinc/67/50/21/569675021.db2.gz LJBJREMXGRAIEX-UHFFFAOYSA-N -1 1 452.967 6.142 50 0 JKAAMM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OC(=C([O-])c3cccs3)c3cccs3)C2)cc1 ZINC000065563365 569675998 /nfs/dbraw/zinc/67/59/98/569675998.db2.gz PBUPUTXKPHNVJL-GCJKJVERSA-N -1 1 453.585 5.138 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1sc2ccccc2c1Cl ZINC000035263616 569678997 /nfs/dbraw/zinc/67/89/97/569678997.db2.gz TVTHFVWYRKKSOC-UHFFFAOYSA-N -1 1 477.394 6.261 50 0 JKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(OC(F)(F)F)cc2)nc1 ZINC000067294380 569686196 /nfs/dbraw/zinc/68/61/96/569686196.db2.gz LBLIHSIGEPAODT-SLMZUGIISA-N -1 1 455.392 5.225 50 0 JKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1cccc(C)c1 ZINC000035671391 569706074 /nfs/dbraw/zinc/70/60/74/569706074.db2.gz RFWADIYBZBWUCZ-UHFFFAOYSA-N -1 1 451.482 6.209 50 0 JKAAMM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2-c2ccccc2)cc1Cl ZINC000035671356 569706098 /nfs/dbraw/zinc/70/60/98/569706098.db2.gz UPHGPVAIRSOYFC-UHFFFAOYSA-N -1 1 486.911 6.542 50 0 JKAAMM Cc1noc(-c2ccc(C)cc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1cccc(C)c1 ZINC000035672303 569706323 /nfs/dbraw/zinc/70/63/23/569706323.db2.gz XZURQVYDDXRBAQ-UHFFFAOYSA-N -1 1 465.509 6.518 50 0 JKAAMM Cc1noc(-c2ccc(C)cc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000035672301 569706371 /nfs/dbraw/zinc/70/63/71/569706371.db2.gz XVXDFXZTTIRGAM-UHFFFAOYSA-N -1 1 450.494 6.496 50 0 JKAAMM Cc1noc(-c2ccc(C)cc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000035672323 569706393 /nfs/dbraw/zinc/70/63/93/569706393.db2.gz MECRLLLSQPQEMB-UHFFFAOYSA-N -1 1 454.457 6.327 50 0 JKAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)ccc1OCc1ccccc1Cl ZINC000085412200 569710474 /nfs/dbraw/zinc/71/04/74/569710474.db2.gz PIOUJWFCIUGPSD-OAQYLSRUSA-N -1 1 457.983 5.884 50 0 JKAAMM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)c(C)c1 ZINC000085664780 569714827 /nfs/dbraw/zinc/71/48/27/569714827.db2.gz KVZJTAOCIAVZBP-UHFFFAOYSA-N -1 1 458.531 5.112 50 0 JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cccnc3N3CCCCC3)CC(=O)O4)c2=O)cc1 ZINC000085875271 569715690 /nfs/dbraw/zinc/71/56/90/569715690.db2.gz RRYMXPRROAMQOB-HXUWFJFHSA-N -1 1 498.535 5.001 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cccnc2N2CCCCC2)cc1 ZINC000085875271 569715691 /nfs/dbraw/zinc/71/56/91/569715691.db2.gz RRYMXPRROAMQOB-HXUWFJFHSA-N -1 1 498.535 5.001 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(OC(C)C)cc3)CC(=O)O4)c2=O)cc1 ZINC000085876986 569716092 /nfs/dbraw/zinc/71/60/92/569716092.db2.gz CDDHAXIBBPNNSQ-FQEVSTJZSA-N -1 1 472.493 5.402 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OC(C)C)cc2)cc1 ZINC000085876986 569716093 /nfs/dbraw/zinc/71/60/93/569716093.db2.gz CDDHAXIBBPNNSQ-FQEVSTJZSA-N -1 1 472.493 5.402 50 0 biogenic JKAAMM CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000086057464 569717351 /nfs/dbraw/zinc/71/73/51/569717351.db2.gz ZDHUVHVAVTVXSS-SFHVURJKSA-N -1 1 469.994 5.369 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN([C@H]2CCCc4ccccc42)C(=O)[C@H](C)O3)cc1F ZINC000035886905 569720697 /nfs/dbraw/zinc/72/06/97/569720697.db2.gz BDUMFTSMNPGMPO-BVZFJXPGSA-N -1 1 494.588 5.122 50 0 JKAAMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2CN(Cc2ccccc2Cl)C1=O ZINC000035887146 569720898 /nfs/dbraw/zinc/72/08/98/569720898.db2.gz PRCIJOJBAYOOPG-HNNXBMFYSA-N -1 1 491.396 5.104 50 0 JKAAMM CC[C@@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2OCC1=O ZINC000035910063 569725241 /nfs/dbraw/zinc/72/52/41/569725241.db2.gz IRKRUJVNDVGAEX-QFIPXVFZSA-N -1 1 470.978 5.013 50 0 JKAAMM CC[C@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2O[C@@H](C)C1=O ZINC000035910062 569725265 /nfs/dbraw/zinc/72/52/65/569725265.db2.gz LAQLNAWDQZSLNJ-MHECFPHRSA-N -1 1 482.577 5.196 50 0 JKAAMM COc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000035910982 569726233 /nfs/dbraw/zinc/72/62/33/569726233.db2.gz XCKWRCZSYNGUCF-AREMUKBSSA-N -1 1 490.606 5.428 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000035912490 569727531 /nfs/dbraw/zinc/72/75/31/569727531.db2.gz NWDTWCUJKZMQDU-HSZRJFAPSA-N -1 1 473.019 5.536 50 0 JKAAMM CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000035912468 569727534 /nfs/dbraw/zinc/72/75/34/569727534.db2.gz TWHDGQBZKMSFME-HSZRJFAPSA-N -1 1 489.018 5.318 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 ZINC000035912482 569727582 /nfs/dbraw/zinc/72/75/82/569727582.db2.gz APWJLBKDNUWAQE-HSZRJFAPSA-N -1 1 473.019 5.536 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C ZINC000035912498 569727605 /nfs/dbraw/zinc/72/76/05/569727605.db2.gz XSKBRPBREXLTJH-AREMUKBSSA-N -1 1 494.682 6.180 50 0 JKAAMM CCc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000035912520 569727700 /nfs/dbraw/zinc/72/77/00/569727700.db2.gz SFDXHZOOSGEEBY-HHHXNRCGSA-N -1 1 488.634 5.982 50 0 JKAAMM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)CC([O-])(C(F)(F)F)C(F)(F)F ZINC000095680471 569728506 /nfs/dbraw/zinc/72/85/06/569728506.db2.gz OHKBOEWLASAFLW-YHVBFONYSA-N -1 1 484.521 5.533 50 0 in-vitro JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3SCC(=O)N3c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000035927655 569730742 /nfs/dbraw/zinc/73/07/42/569730742.db2.gz WQEVUGJMLVHCOF-JOCHJYFZSA-N -1 1 492.544 5.593 50 0 JKAAMM CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000035927661 569730758 /nfs/dbraw/zinc/73/07/58/569730758.db2.gz CHLAMNCOCLUMEC-DEOSSOPVSA-N -1 1 487.046 6.043 50 0 JKAAMM CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035927664 569730766 /nfs/dbraw/zinc/73/07/66/569730766.db2.gz GKKFCNTYFRJHGA-XMMPIXPASA-N -1 1 470.591 5.529 50 0 JKAAMM CC(C)Oc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096115808 569734584 /nfs/dbraw/zinc/73/45/84/569734584.db2.gz NUROWUSADGXUDA-IBGZPJMESA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM CC(C)Oc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096115808 569734586 /nfs/dbraw/zinc/73/45/86/569734586.db2.gz NUROWUSADGXUDA-IBGZPJMESA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccccc2OCc2ccccn2)S1 ZINC000096116655 569735503 /nfs/dbraw/zinc/73/55/03/569735503.db2.gz GCEWQAZEMHAPKE-GCJKJVERSA-N -1 1 464.591 5.167 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Br)cc2F)S1 ZINC000096117176 569735663 /nfs/dbraw/zinc/73/56/63/569735663.db2.gz CISDJWDCWFQQOV-MLGOLLRUSA-N -1 1 454.365 5.094 50 0 JKAAMM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072915 569750150 /nfs/dbraw/zinc/75/01/50/569750150.db2.gz ODGYDCOMARNWQP-UHFFFAOYSA-N -1 1 477.071 5.170 50 0 JKAAMM O=S(=O)([N-]c1ccc(Br)cc1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073027 569750236 /nfs/dbraw/zinc/75/02/36/569750236.db2.gz ASHVFQZCHHFMMM-UHFFFAOYSA-N -1 1 459.081 5.031 50 0 JKAAMM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072841 569750281 /nfs/dbraw/zinc/75/02/81/569750281.db2.gz RZECWUPGMPAGPI-UHFFFAOYSA-N -1 1 459.081 5.031 50 0 JKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(N(C)C)cc1 ZINC000100028618 569751456 /nfs/dbraw/zinc/75/14/56/569751456.db2.gz UCTIUJOLDIUMTK-UHFFFAOYSA-N -1 1 479.584 5.332 50 0 JKAAMM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccccc3F)C2)cc1 ZINC000100426045 569760188 /nfs/dbraw/zinc/76/01/88/569760188.db2.gz FONMMFZSDPCAHI-WENCNXQZSA-N -1 1 498.554 6.549 50 0 JKAAMM Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccnc2)cc1 ZINC000100426029 569760224 /nfs/dbraw/zinc/76/02/24/569760224.db2.gz AQURXAZLEXEGHY-PBBNMVCDSA-N -1 1 481.552 5.805 50 0 JKAAMM CCCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000100425559 569760264 /nfs/dbraw/zinc/76/02/64/569760264.db2.gz XZYMGZZGAZFIOJ-NDEPHWFRSA-N -1 1 490.600 6.523 50 0 JKAAMM CCc1cc2c(cc1[O-])oc(=O)c1c2-c2sc3nc(C)cc(C)c3c2N[C@H]1c1ccc(Cl)cc1 ZINC000100656651 569766125 /nfs/dbraw/zinc/76/61/25/569766125.db2.gz VWPKLYTXRZXYBY-QHCPKHFHSA-N -1 1 488.996 7.123 50 0 JKAAMM CCc1cc2c(cc1[O-])oc(=O)c1c2-c2sc3nc(C)cc(C)c3c2N[C@@H]1c1ccc(Cl)cc1 ZINC000100656648 569766133 /nfs/dbraw/zinc/76/61/33/569766133.db2.gz VWPKLYTXRZXYBY-HSZRJFAPSA-N -1 1 488.996 7.123 50 0 JKAAMM CCN(CC)C1=Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc21 ZINC000100942865 569777002 /nfs/dbraw/zinc/77/70/02/569777002.db2.gz FZAUTOBCHMSKQG-UHFFFAOYSA-N -1 1 451.548 5.022 50 0 JKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Cl)cc1 ZINC000100950190 569777765 /nfs/dbraw/zinc/77/77/65/569777765.db2.gz KRKNSQVJAJITBJ-ZEQRLZLVSA-N -1 1 470.960 5.501 50 0 JKAAMM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(F)cc2)c1=O)c1ccc(O)cc1 ZINC000100956366 569777874 /nfs/dbraw/zinc/77/78/74/569777874.db2.gz NLOMYDBWAXDNKV-UHFFFAOYSA-N -1 1 488.494 5.250 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3OCC)C2)c(=O)[nH]c1=S ZINC000101494670 569799888 /nfs/dbraw/zinc/79/98/88/569799888.db2.gz ZHMFZOBIERSYFX-NRFANRHFSA-N -1 1 481.643 6.168 50 0 JKAAMM O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C1=Nc2ccccc2S[C@H](c2cccs2)C1 ZINC000101495164 569800015 /nfs/dbraw/zinc/80/00/15/569800015.db2.gz RIXKQKFJTBRQJE-IBGZPJMESA-N -1 1 481.986 5.304 50 0 JKAAMM CCN(CC)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101494746 569800093 /nfs/dbraw/zinc/80/00/93/569800093.db2.gz CNXYDAYSUUFJSP-FQEVSTJZSA-N -1 1 466.632 5.353 50 0 JKAAMM CC(C)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101494867 569800122 /nfs/dbraw/zinc/80/01/22/569800122.db2.gz FKYYRRWOTBVZIC-VWLOTQADSA-N -1 1 497.620 5.772 50 0 JKAAMM CCN(CC)c1ccc([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101494748 569800169 /nfs/dbraw/zinc/80/01/69/569800169.db2.gz CNXYDAYSUUFJSP-HXUWFJFHSA-N -1 1 466.632 5.353 50 0 JKAAMM O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2cccs2)C1 ZINC000101495162 569800183 /nfs/dbraw/zinc/80/01/83/569800183.db2.gz RIXKQKFJTBRQJE-LJQANCHMSA-N -1 1 481.986 5.304 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)c(OC)c3)C2)c(=O)[nH]c1=S ZINC000101495299 569800274 /nfs/dbraw/zinc/80/02/74/569800274.db2.gz ASRHSALUORRANN-HXUWFJFHSA-N -1 1 483.615 5.484 50 0 JKAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101495459 569800356 /nfs/dbraw/zinc/80/03/56/569800356.db2.gz JQSVMVKNLCFUOE-DEOSSOPVSA-N -1 1 499.592 5.215 50 0 JKAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(C(C)C)cc3)C2)c1=O ZINC000101495514 569800508 /nfs/dbraw/zinc/80/05/08/569800508.db2.gz QNFJUOFRYXVTCX-JOCHJYFZSA-N -1 1 463.603 5.524 50 0 JKAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c1=O ZINC000101495591 569800776 /nfs/dbraw/zinc/80/07/76/569800776.db2.gz ISOVKPAUUCTNAS-IBGZPJMESA-N -1 1 455.967 5.054 50 0 JKAAMM CCOc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101766625 569804672 /nfs/dbraw/zinc/80/46/72/569804672.db2.gz ULVMHXOPLCCPPB-QHCPKHFHSA-N -1 1 491.613 5.504 50 0 JKAAMM CN(C)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101766634 569804680 /nfs/dbraw/zinc/80/46/80/569804680.db2.gz GCPQFBVECBSTMH-QHCPKHFHSA-N -1 1 490.629 5.171 50 0 JKAAMM CC(C)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101766650 569804690 /nfs/dbraw/zinc/80/46/90/569804690.db2.gz QNGUMYWJPUCYBV-XMMPIXPASA-N -1 1 489.641 6.229 50 0 JKAAMM CCOc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)=Nc2ccccc2S1 ZINC000101766664 569804848 /nfs/dbraw/zinc/80/48/48/569804848.db2.gz MNBPFPXTEPNHPA-HSZRJFAPSA-N -1 1 491.613 5.504 50 0 JKAAMM O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(F)c(Br)c3)no2)[n-]1 ZINC000038654268 569805896 /nfs/dbraw/zinc/80/58/96/569805896.db2.gz INAIEHNGLMQVEH-UHFFFAOYSA-N -1 1 459.300 5.093 50 0 JKAAMM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000039383674 569809597 /nfs/dbraw/zinc/80/95/97/569809597.db2.gz BVCSQDSAUYYPMA-UHFFFAOYSA-N -1 1 468.561 5.308 50 0 JKAAMM O=C(Cc1sc(Nc2ccccc2)nc1[O-])Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039930969 569812313 /nfs/dbraw/zinc/81/23/13/569812313.db2.gz HWFWGMIPFCIPLJ-FQEVSTJZSA-N -1 1 451.935 5.571 50 0 JKAAMM O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000040050850 569814976 /nfs/dbraw/zinc/81/49/76/569814976.db2.gz BKIWXMSTJSJFAG-UHFFFAOYSA-N -1 1 486.553 5.384 50 0 JKAAMM O=C1N[C@H](c2ccc(-c3ccccc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000102692516 569815864 /nfs/dbraw/zinc/81/58/64/569815864.db2.gz KUYQRMQSFAKNDF-WAOWUJCRSA-N -1 1 499.272 5.357 50 0 JKAAMM O=C1[C@@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707093 569816556 /nfs/dbraw/zinc/81/65/56/569816556.db2.gz LKKNGOPEDJTLJJ-CCDWMCETSA-N -1 1 499.364 5.653 50 0 JKAAMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1Cl ZINC000102706724 569816633 /nfs/dbraw/zinc/81/66/33/569816633.db2.gz KGDAWQUMZNCGLS-UODIDJSMSA-N -1 1 468.940 5.853 50 0 JKAAMM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc3ccccc3nc2Cl)cc1 ZINC000102724686 569817520 /nfs/dbraw/zinc/81/75/20/569817520.db2.gz ZQMYTSYIOLXNNG-KMDXXIMOSA-N -1 1 469.928 5.248 50 0 JKAAMM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cn(C)c3ccccc23)cc1 ZINC000102730735 569818039 /nfs/dbraw/zinc/81/80/39/569818039.db2.gz DEHFZJUHONNBRJ-KWXIBIRDSA-N -1 1 481.552 5.018 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cccs1 ZINC000104082679 569840543 /nfs/dbraw/zinc/84/05/43/569840543.db2.gz JOISOZCMNGDPJM-CRYYWNKWSA-N -1 1 490.556 6.302 50 0 JKAAMM C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421201 569846934 /nfs/dbraw/zinc/84/69/34/569846934.db2.gz FFHAUUYEASUADS-KNQAVFIVSA-N -1 1 486.641 5.006 50 0 JKAAMM CCc1ccc(CNC(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccc(C)cc5)c4[n-]3)C2)cc1 ZINC000049421277 569847129 /nfs/dbraw/zinc/84/71/29/569847129.db2.gz OIIULFAVYYWQPJ-QFIPXVFZSA-N -1 1 486.641 5.055 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)N[C@@H](C)c4ccccc4)C2)nc3=O)cc1 ZINC000049421298 569847149 /nfs/dbraw/zinc/84/71/49/569847149.db2.gz SFFVKDORCFDUOD-RXVVDRJESA-N -1 1 472.614 5.054 50 0 JKAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N[C@H](C)c4ccc(F)cc4)CC2)nc3=O)c1 ZINC000049421390 569847195 /nfs/dbraw/zinc/84/71/95/569847195.db2.gz DUWQJGVWIFFCDZ-QGZVFWFLSA-N -1 1 490.604 5.193 50 0 JKAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCc4ccccc4Cl)CC2)nc3=O)c1 ZINC000049421382 569847299 /nfs/dbraw/zinc/84/72/99/569847299.db2.gz XYWJAGBFTGNNTD-UHFFFAOYSA-N -1 1 493.032 5.146 50 0 JKAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)NC3CCCCCC3)C1)nc2=O ZINC000049421427 569847458 /nfs/dbraw/zinc/84/74/58/569847458.db2.gz MSGGFKMDXCKOLE-SFHVURJKSA-N -1 1 464.635 5.015 50 0 JKAAMM CCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000137585047 569865029 /nfs/dbraw/zinc/86/50/29/569865029.db2.gz QELXDQHSKNAKKE-JIMJEQGWSA-N -1 1 490.531 5.064 50 0 JKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169691874 569871436 /nfs/dbraw/zinc/87/14/36/569871436.db2.gz LCFQAVXMORLZAL-UEXGIBASSA-N -1 1 499.272 5.357 50 0 JKAAMM O=C(c1ccco1)N1N=C(c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2)C[C@@H]1c1ccco1 ZINC000170618896 569873086 /nfs/dbraw/zinc/87/30/86/569873086.db2.gz RNHKIXORODNEHT-OAQYLSRUSA-N -1 1 495.944 5.318 50 0 JKAAMM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245311368 570063582 /nfs/dbraw/zinc/06/35/82/570063582.db2.gz ODIDMQZZPSHRFJ-SODQHWRNSA-N -1 1 496.632 5.645 50 0 JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1cccc3cccnc31)CC(=O)O2 ZINC000253409974 570097595 /nfs/dbraw/zinc/09/75/95/570097595.db2.gz MSECJNBQFJOWEM-GOSISDBHSA-N -1 1 469.880 5.808 50 0 biogenic JKAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)c(OC)c1 ZINC000253412484 570097988 /nfs/dbraw/zinc/09/79/88/570097988.db2.gz RDPNSBJNNTYUMS-KRWDZBQOSA-N -1 1 478.884 5.277 50 0 biogenic JKAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1OC ZINC000253413781 570098323 /nfs/dbraw/zinc/09/83/23/570098323.db2.gz VQKIVQJEIITPIO-INIZCTEOSA-N -1 1 478.884 5.277 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1cccnc1Cl)CC(=O)O2 ZINC000263588184 570172424 /nfs/dbraw/zinc/17/24/24/570172424.db2.gz QDIVASKULICKTG-CQSZACIVSA-N -1 1 454.265 5.308 50 0 JKAAMM O=S(=O)([N-]c1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1)c1ccccc1 ZINC000263639854 570173857 /nfs/dbraw/zinc/17/38/57/570173857.db2.gz MAHHNMRVIWRGNI-UHFFFAOYSA-N -1 1 451.857 5.474 50 0 JKAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1 ZINC000000674200 193889858 /nfs/dbraw/zinc/88/98/58/193889858.db2.gz YJYBXXLXBFTWKQ-MRXNPFEDSA-N -1 1 493.412 5.817 50 0 JKAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3c(C(=O)OC)c(C(C)(C)C)oc3c3ccccc23)cc1 ZINC000000940632 193987064 /nfs/dbraw/zinc/98/70/64/193987064.db2.gz FZVMUNVAHOVLSA-UHFFFAOYSA-N -1 1 465.571 6.033 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2cccc3c2cccc3S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000001054112 194010985 /nfs/dbraw/zinc/01/09/85/194010985.db2.gz HXRAUTJDTQBKEO-UHFFFAOYSA-N -1 1 466.584 5.058 50 0 JKAAMM Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000001076470 194018276 /nfs/dbraw/zinc/01/82/76/194018276.db2.gz LMWPUPFYBJMAJN-UHFFFAOYSA-N -1 1 459.365 5.119 50 0 JKAAMM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000001064323 194013056 /nfs/dbraw/zinc/01/30/56/194013056.db2.gz IZDVXTQPPRWUDI-UHFFFAOYSA-N -1 1 486.977 5.105 50 0 JKAAMM Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000001096279 194023369 /nfs/dbraw/zinc/02/33/69/194023369.db2.gz JHOLTUMXQUZINI-UHFFFAOYSA-N -1 1 476.623 5.821 50 0 JKAAMM CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)cc(C)c3C)cc2)cc1 ZINC000001122570 194034608 /nfs/dbraw/zinc/03/46/08/194034608.db2.gz KKMITSMZFWHKCT-UHFFFAOYSA-N -1 1 493.629 5.612 50 0 aggregator JKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000001123546 194034999 /nfs/dbraw/zinc/03/49/99/194034999.db2.gz MMCYUWHFXPZPKB-UHFFFAOYSA-N -1 1 462.615 5.199 50 0 JKAAMM Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000001165158 194057184 /nfs/dbraw/zinc/05/71/84/194057184.db2.gz CVROUYZBVORBSK-UHFFFAOYSA-N -1 1 459.365 5.119 50 0 JKAAMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000001150704 194050397 /nfs/dbraw/zinc/05/03/97/194050397.db2.gz ZGGVBELFEFQMFH-UHFFFAOYSA-N -1 1 481.426 5.833 50 0 JKAAMM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000001151149 194050625 /nfs/dbraw/zinc/05/06/25/194050625.db2.gz VTDCCFFLCRCTOI-CQSZACIVSA-N -1 1 481.426 5.914 50 0 JKAAMM O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000001161372 194055031 /nfs/dbraw/zinc/05/50/31/194055031.db2.gz PLHNPYTYYOGBDB-UHFFFAOYSA-N -1 1 484.883 5.177 50 0 JKAAMM O=C(Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccccc1I ZINC000001208506 194070632 /nfs/dbraw/zinc/07/06/32/194070632.db2.gz ZMFNPBFHXJAJAJ-UHFFFAOYSA-N -1 1 456.239 5.057 50 0 JKAAMM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Br ZINC000001177399 194062349 /nfs/dbraw/zinc/06/23/49/194062349.db2.gz LDVINOSHGZZWQN-UHFFFAOYSA-N -1 1 465.756 5.156 50 0 JKAAMM O=S(=O)([N-]c1ccccc1Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 ZINC000001382012 194113434 /nfs/dbraw/zinc/11/34/34/194113434.db2.gz BBYIDNLGNZXCMU-UHFFFAOYSA-N -1 1 462.877 5.845 50 0 JKAAMM CCCN1C(=O)N(c2cccc(Cl)c2)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000001507020 194126251 /nfs/dbraw/zinc/12/62/51/194126251.db2.gz AIRXIHBNHVMCDN-GOSISDBHSA-N -1 1 451.354 5.673 50 0 JKAAMM CCCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000001507014 194126329 /nfs/dbraw/zinc/12/63/29/194126329.db2.gz AIRXIHBNHVMCDN-SFHVURJKSA-N -1 1 451.354 5.673 50 0 JKAAMM Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000001508698 194126519 /nfs/dbraw/zinc/12/65/19/194126519.db2.gz OLOXKGAQJIMFKR-UHFFFAOYSA-N -1 1 464.768 5.443 50 0 JKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)sc2c1 ZINC000001514717 194127117 /nfs/dbraw/zinc/12/71/17/194127117.db2.gz KHSKVTJEZXLNOG-UHFFFAOYSA-N -1 1 459.390 5.835 50 0 JKAAMM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001750374 194134260 /nfs/dbraw/zinc/13/42/60/194134260.db2.gz CRZLKQUEJZRJJG-GOSISDBHSA-N -1 1 467.518 5.010 50 0 biogenic JKAAMM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000001750374 194134264 /nfs/dbraw/zinc/13/42/64/194134264.db2.gz CRZLKQUEJZRJJG-GOSISDBHSA-N -1 1 467.518 5.010 50 0 biogenic JKAAMM CCCCCn1c2ccccc2nc1NCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001752283 194134401 /nfs/dbraw/zinc/13/44/01/194134401.db2.gz AMJBNVBAVDOANH-UHFFFAOYSA-N -1 1 462.619 5.948 50 0 JKAAMM CCCCN(CC)C(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000003007805 194202546 /nfs/dbraw/zinc/20/25/46/194202546.db2.gz VHTSCZUFFBMJMT-UHFFFAOYSA-N -1 1 457.640 5.048 50 0 JKAAMM CCOc1ccc(-n2c3nc(SCc4c(F)cccc4Cl)[n-]c(=O)c3sc2=S)cc1 ZINC000003034053 194213837 /nfs/dbraw/zinc/21/38/37/194213837.db2.gz VODAVRISHPLJSZ-UHFFFAOYSA-N -1 1 480.011 5.988 50 0 JKAAMM CCOc1ccccc1C(=O)NC([N-]c1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000003103650 194226095 /nfs/dbraw/zinc/22/60/95/194226095.db2.gz CBTXYFOOSCDKGF-UHFFFAOYSA-N -1 1 475.216 6.055 50 0 JKAAMM O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003167497 194233370 /nfs/dbraw/zinc/23/33/70/194233370.db2.gz TYOWIFIWVGSPGX-UHFFFAOYSA-N -1 1 455.750 5.700 50 0 JKAAMM O=C(Nc1c(Cl)cccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003167581 194233416 /nfs/dbraw/zinc/23/34/16/194233416.db2.gz BKQUVVPVIOTRKH-UHFFFAOYSA-N -1 1 455.750 5.700 50 0 JKAAMM COC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3c2oc1C(C)(C)C ZINC000003200554 194238234 /nfs/dbraw/zinc/23/82/34/194238234.db2.gz AGTLTZRAIGDFIW-UHFFFAOYSA-N -1 1 451.544 5.779 50 0 JKAAMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)N1CCc2ccccc21 ZINC000003215704 194240615 /nfs/dbraw/zinc/24/06/15/194240615.db2.gz NTMNKTKIMBKRQL-UHFFFAOYSA-N -1 1 480.895 5.363 50 0 JKAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Br)cc1)cc2Br ZINC000003221625 194242661 /nfs/dbraw/zinc/24/26/61/194242661.db2.gz FEJOYOGTSQOFHE-UHFFFAOYSA-N -1 1 487.169 5.270 50 0 JKAAMM O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3)c1ccc([O-])cc1O ZINC000003309645 194276279 /nfs/dbraw/zinc/27/62/79/194276279.db2.gz MYBMXHVUKUJTDB-UHFFFAOYSA-N -1 1 470.616 5.228 50 0 JKAAMM CCCc1oc2c(cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)c1C(=O)OCC ZINC000003368334 194304348 /nfs/dbraw/zinc/30/43/48/194304348.db2.gz ZCWCDNXFWYSPTQ-UHFFFAOYSA-N -1 1 471.962 6.169 50 0 JKAAMM CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc21 ZINC000003368581 194304467 /nfs/dbraw/zinc/30/44/67/194304467.db2.gz CIKJUFFYPWCOEH-UHFFFAOYSA-N -1 1 451.544 5.961 50 0 JKAAMM CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc21 ZINC000003368453 194304516 /nfs/dbraw/zinc/30/45/16/194304516.db2.gz MYQRZFCVOASKCP-UHFFFAOYSA-N -1 1 471.962 6.306 50 0 JKAAMM CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OCC)cc1)c1ccccc21 ZINC000003368507 194304542 /nfs/dbraw/zinc/30/45/42/194304542.db2.gz ZBJFRYCSJCIRMY-UHFFFAOYSA-N -1 1 481.570 6.051 50 0 JKAAMM CCCc1oc2c(cc([N-]S(=O)(=O)c3ccc(C)cc3C)c3ccccc23)c1C(=O)OCC ZINC000003368400 194304639 /nfs/dbraw/zinc/30/46/39/194304639.db2.gz OPUYSLVAGIIHTR-UHFFFAOYSA-N -1 1 465.571 6.133 50 0 JKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(OCC)cc3)ccc2oc1-c1ccccc1 ZINC000003368615 194304646 /nfs/dbraw/zinc/30/46/46/194304646.db2.gz RYHXRQYTJCEIPX-UHFFFAOYSA-N -1 1 465.527 5.476 50 0 JKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3ccccc3)c3ccccc23)c1C(=O)OCc1ccccc1 ZINC000003368425 194304673 /nfs/dbraw/zinc/30/46/73/194304673.db2.gz CWINOVWDYLJXJF-UHFFFAOYSA-N -1 1 471.534 6.052 50 0 JKAAMM CCc1cc2c(COC(=O)c3cc(Br)c(Br)s3)cc(=O)oc2cc1[O-] ZINC000003433645 194323404 /nfs/dbraw/zinc/32/34/04/194323404.db2.gz KTEDGQOENDRARZ-UHFFFAOYSA-N -1 1 488.153 5.005 50 0 JKAAMM COc1ccc(C(=O)Nc2cc(C(C)C)c([O-])c(S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 ZINC000003620695 194341711 /nfs/dbraw/zinc/34/17/11/194341711.db2.gz HSDHQAMFIJABMJ-UHFFFAOYSA-N -1 1 473.978 5.571 50 0 aggregator JKAAMM S=c1[n-]nc(CCCCc2n[nH]c(=S)n2-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000003620577 194341834 /nfs/dbraw/zinc/34/18/34/194341834.db2.gz FDYAQTZPDDVWDT-UHFFFAOYSA-N -1 1 477.446 6.045 50 0 JKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc2oc1-c1ccccc1 ZINC000003656781 194353443 /nfs/dbraw/zinc/35/34/43/194353443.db2.gz WXRDRUDACTVAKE-UHFFFAOYSA-N -1 1 453.491 5.525 50 0 JKAAMM CCCCCc1ccc(OCCCCNC(=O)c2ccc3ccccc3c2[O-])c(CCCCC)c1 ZINC000004583578 194392632 /nfs/dbraw/zinc/39/26/32/194392632.db2.gz UVGVGBHENHKSCY-UHFFFAOYSA-N -1 1 475.673 7.600 50 0 JKAAMM CCC(C)(C)[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4c(C)cc(C)cc4C)c4ccccc34)c2C1 ZINC000004635089 194392798 /nfs/dbraw/zinc/39/27/98/194392798.db2.gz NKNJXEZZHJLREC-NRFANRHFSA-N -1 1 489.681 7.853 50 0 JKAAMM CCC(C)(C)[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4c(C)cc(C)cc4C)c4ccccc34)c2C1 ZINC000004635088 194392851 /nfs/dbraw/zinc/39/28/51/194392851.db2.gz NKNJXEZZHJLREC-OAQYLSRUSA-N -1 1 489.681 7.853 50 0 JKAAMM CCC(C)(C)[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4cc(C)ccc4C)c4ccccc34)c2C1 ZINC000006059791 194410983 /nfs/dbraw/zinc/41/09/83/194410983.db2.gz LBUYKVMVAGCOIK-FQEVSTJZSA-N -1 1 475.654 7.545 50 0 JKAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009865744 195003726 /nfs/dbraw/zinc/00/37/26/195003726.db2.gz JFKPFBGVRXHDAM-UHFFFAOYSA-N -1 1 495.601 5.256 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)c2)c1 ZINC000012605629 195051305 /nfs/dbraw/zinc/05/13/05/195051305.db2.gz ZWIWHYCDROWGNR-KRWDZBQOSA-N -1 1 465.600 5.239 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000012654991 195078028 /nfs/dbraw/zinc/07/80/28/195078028.db2.gz BCWPJHZOYYGFQT-NYYWCZLTSA-N -1 1 495.815 6.408 50 0 JKAAMM Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)ccc3Cl)ccc2o1 ZINC000012755905 195108390 /nfs/dbraw/zinc/10/83/90/195108390.db2.gz MVCITUQVLTYADM-UHFFFAOYSA-N -1 1 490.368 5.805 50 0 JKAAMM CC(C)Cc1ccc(-c2cnc(CCC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)o2)cc1 ZINC000012779226 195123306 /nfs/dbraw/zinc/12/33/06/195123306.db2.gz WNWFFCLPYVQABH-UHFFFAOYSA-N -1 1 460.574 5.300 50 0 JKAAMM Cc1c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)sc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000012786096 195128206 /nfs/dbraw/zinc/12/82/06/195128206.db2.gz BYYXACXUQNMKSV-UHFFFAOYSA-N -1 1 477.571 5.015 50 0 JKAAMM O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 ZINC000012861276 195159304 /nfs/dbraw/zinc/15/93/04/195159304.db2.gz SLKGEFFILYBNJD-UHFFFAOYSA-N -1 1 496.032 6.273 50 0 JKAAMM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020714152 195206035 /nfs/dbraw/zinc/20/60/35/195206035.db2.gz UWSRELQESLBWOM-SANMLTNESA-N -1 1 495.957 5.632 50 0 JKAAMM O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000020722445 195206717 /nfs/dbraw/zinc/20/67/17/195206717.db2.gz BKORCBPCOSCNAL-RUZDIDTESA-N -1 1 486.959 5.449 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)ccc4C)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020850206 195230885 /nfs/dbraw/zinc/23/08/85/195230885.db2.gz SNIIRZCTXCHKRR-CLJLJLNGSA-N -1 1 496.636 5.790 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020849962 195230892 /nfs/dbraw/zinc/23/08/92/195230892.db2.gz FVTITBKFPBYJAD-UIOOFZCWSA-N -1 1 496.636 5.790 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903835 195243787 /nfs/dbraw/zinc/24/37/87/195243787.db2.gz FUGNYFJVUPQXCC-UNMCSNQZSA-N -1 1 474.611 5.234 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1F ZINC000020903659 195243796 /nfs/dbraw/zinc/24/37/96/195243796.db2.gz FUFRCZQMPBCVDK-GOTSBHOMSA-N -1 1 490.535 5.143 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])c(C)c1 ZINC000020903902 195244244 /nfs/dbraw/zinc/24/42/44/195244244.db2.gz JOBWVSIHHMSWIT-FYYLOGMGSA-N -1 1 488.638 5.543 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000020903919 195244348 /nfs/dbraw/zinc/24/43/48/195244348.db2.gz JYBBSGQVXULRSY-FPOVZHCZSA-N -1 1 496.564 5.204 50 0 JKAAMM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)nn1 ZINC000021089730 195274581 /nfs/dbraw/zinc/27/45/81/195274581.db2.gz NNNQFULJGAWYNR-UHFFFAOYSA-N -1 1 461.543 5.526 50 0 JKAAMM Cn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000021357375 195297844 /nfs/dbraw/zinc/29/78/44/195297844.db2.gz FKYBDUTXWMJCRY-UHFFFAOYSA-N -1 1 459.493 5.178 50 0 JKAAMM CCCc1ccc(-c2nc(NC(=O)c3sc4[n-]c(COC)nc(=O)c4c3C)sc2C)cc1 ZINC000058312137 195376956 /nfs/dbraw/zinc/37/69/56/195376956.db2.gz DRBXDMWFUXZYHD-UHFFFAOYSA-N -1 1 468.604 5.076 50 0 JKAAMM COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000021784410 195320909 /nfs/dbraw/zinc/32/09/09/195320909.db2.gz HHLFSWUHRWIRLK-INIZCTEOSA-N -1 1 486.391 5.028 50 0 JKAAMM COc1ccc(Br)cc1[C@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000021784413 195320983 /nfs/dbraw/zinc/32/09/83/195320983.db2.gz HHLFSWUHRWIRLK-MRXNPFEDSA-N -1 1 486.391 5.028 50 0 JKAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000009223468 518408157 /nfs/dbraw/zinc/40/81/57/518408157.db2.gz NDRXOVXVFPRQIT-HNNXBMFYSA-N -1 1 490.503 5.200 50 0 JKAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000009223469 518409195 /nfs/dbraw/zinc/40/91/95/518409195.db2.gz NDRXOVXVFPRQIT-OAHLLOKOSA-N -1 1 490.503 5.200 50 0 JKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1 ZINC000033274820 519046438 /nfs/dbraw/zinc/04/64/38/519046438.db2.gz GBJJBHFFMTYCPI-UHFFFAOYSA-N -1 1 454.636 5.265 50 0 JKAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1Cl ZINC000033289324 519731850 /nfs/dbraw/zinc/73/18/50/519731850.db2.gz XCDHXPDDOJVKTR-UHFFFAOYSA-N -1 1 471.991 5.684 50 0 JKAAMM CC(C)c1ccc(CNC(=O)[C@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)cc1 ZINC000049421143 519836141 /nfs/dbraw/zinc/83/61/41/519836141.db2.gz ILMDDVNAOLVNNO-QFIPXVFZSA-N -1 1 486.641 5.308 50 0 JKAAMM CCCCCCc1cc2cc(-c3csc(Nc4ccc(Cl)cc4Cl)n3)c(=O)oc2cc1[O-] ZINC000027498970 520137752 /nfs/dbraw/zinc/13/77/52/520137752.db2.gz ZOHUKVWYHQBQCD-UHFFFAOYSA-N -1 1 489.424 7.795 50 0 biogenic JKAAMM CCCCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000033138409 520222621 /nfs/dbraw/zinc/22/26/21/520222621.db2.gz QLJNTSAXYPDLCT-UHFFFAOYSA-N -1 1 473.595 5.093 50 0 JKAAMM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3n2C)cc1 ZINC000033277017 520546543 /nfs/dbraw/zinc/54/65/43/520546543.db2.gz IRUXAGLTAUMJHX-UHFFFAOYSA-N -1 1 497.020 5.177 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(OCC)cc2)n1 ZINC000009431845 520570052 /nfs/dbraw/zinc/57/00/52/520570052.db2.gz YKUSJXXRATXOIA-UHFFFAOYSA-N -1 1 495.988 6.260 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2oc3ccccc3c2C(=O)c2ccc(Cl)cc2)n1 ZINC000016742470 520570236 /nfs/dbraw/zinc/57/02/36/520570236.db2.gz KLJKMLZGGRFEOM-UHFFFAOYSA-N -1 1 486.380 6.515 50 0 JKAAMM CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1N([O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008951170 520616502 /nfs/dbraw/zinc/61/65/02/520616502.db2.gz BDWDVEMCGTXJLA-INIZCTEOSA-N -1 1 455.527 5.567 50 0 JKAAMM CCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21 ZINC000004149911 520720190 /nfs/dbraw/zinc/72/01/90/520720190.db2.gz LWESVAXZNLNFCM-UHFFFAOYSA-N -1 1 478.526 5.218 50 0 JKAAMM CC1CCC(NC(=O)C2(c3ccc([N-]S(=O)(=O)c4ccc(F)c(Cl)c4)cc3)CC2)CC1 ZINC000033115475 520943806 /nfs/dbraw/zinc/94/38/06/520943806.db2.gz ICOPPDCCZIQVQW-UHFFFAOYSA-N -1 1 464.990 5.006 50 0 JKAAMM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)s1 ZINC000033306531 521193200 /nfs/dbraw/zinc/19/32/00/521193200.db2.gz NNDYLAFTICSAPD-RMKNXTFCSA-N -1 1 465.984 5.326 50 0 JKAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000033297905 521195191 /nfs/dbraw/zinc/19/51/91/521195191.db2.gz WCWXYGZZXNZWNH-WQLSENKSSA-N -1 1 459.955 5.265 50 0 JKAAMM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)s1 ZINC000033306565 521195558 /nfs/dbraw/zinc/19/55/58/521195558.db2.gz WJQKLBUWYSNNHK-VMPITWQZSA-N -1 1 469.947 5.157 50 0 JKAAMM CCCc1cc(Sc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n2ncnc2n1 ZINC000033122321 521386701 /nfs/dbraw/zinc/38/67/01/521386701.db2.gz BAPRRPDQYDODPU-UHFFFAOYSA-N -1 1 481.647 5.326 50 0 JKAAMM CCCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(C)cc2)n(C)c(=O)n3C)cc1 ZINC000045941177 521411033 /nfs/dbraw/zinc/41/10/33/521411033.db2.gz FPMSZOQHSNTHLJ-UHFFFAOYSA-N -1 1 481.643 5.090 50 0 JKAAMM CCOc1ccccc1-c1nc(CSc2nc(-c3ccc(Cl)cc3)cc(=O)[n-]2)c(C)o1 ZINC000045924746 521439633 /nfs/dbraw/zinc/43/96/33/521439633.db2.gz JFFAZSNRTIBTGC-UHFFFAOYSA-N -1 1 453.951 6.157 50 0 JKAAMM COc1c(Br)cc(Br)cc1C(=O)Nc1cc(C(C)(C)C)cc(Cl)c1[O-] ZINC000016158023 521777442 /nfs/dbraw/zinc/77/74/42/521777442.db2.gz OXEMIDZFNKTBDH-UHFFFAOYSA-N -1 1 491.607 6.129 50 0 JKAAMM CCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(C)cc2)n1 ZINC000009431780 521788328 /nfs/dbraw/zinc/78/83/28/521788328.db2.gz LPQXLYFJLKJZTD-UHFFFAOYSA-N -1 1 451.935 5.780 50 0 JKAAMM CCc1ccccc1NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000012252630 521874711 /nfs/dbraw/zinc/87/47/11/521874711.db2.gz CANOEZFFGPGNEU-UHFFFAOYSA-N -1 1 491.638 5.511 50 0 JKAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(OC(C)C)cc4)oc3C)n2)cc1 ZINC000035480790 523090566 /nfs/dbraw/zinc/09/05/66/523090566.db2.gz IJGFPFCXENQVJU-UHFFFAOYSA-N -1 1 463.559 5.488 50 0 JKAAMM COc1ccc(-c2nc(C)c(-c3cc(=O)[n-]c(SCC(=O)Nc4ccc(C)c(C)c4)n3)s2)cc1 ZINC000033170114 523191568 /nfs/dbraw/zinc/19/15/68/523191568.db2.gz ULQINAHDSCZPKK-UHFFFAOYSA-N -1 1 492.626 5.637 50 0 JKAAMM CCn1c2cc([N-]S(=O)(=O)c3ccc(C)cc3)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045941049 523258735 /nfs/dbraw/zinc/25/87/35/523258735.db2.gz KKVPLCXUJZZSHF-UHFFFAOYSA-N -1 1 467.616 5.103 50 0 JKAAMM CCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000033116516 523285608 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Cc1sc2[n-]c(=S)n(NC(=O)[C@@H](C)Oc3cc(C)ccc3Cl)c(=O)c2c1-c1ccccc1 ZINC000020357259 526885609 /nfs/dbraw/zinc/88/56/09/526885609.db2.gz WRDVQGSWBLTSNN-CYBMUJFWSA-N -1 1 486.018 5.595 50 0 JKAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)Nc1ccc(F)c(Cl)c1 ZINC000017200351 527058264 /nfs/dbraw/zinc/05/82/64/527058264.db2.gz FNNPTAKHCAQQON-UHFFFAOYSA-N -1 1 478.983 5.028 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000016450716 527255545 /nfs/dbraw/zinc/25/55/45/527255545.db2.gz JYUYRRJOZWDGIY-JJIBRWJFSA-N -1 1 478.957 5.913 50 0 JKAAMM O=C(Nc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000033130320 527290788 /nfs/dbraw/zinc/29/07/88/527290788.db2.gz MLENULJNDHDKKI-UHFFFAOYSA-N -1 1 472.522 5.135 50 0 JKAAMM O=c1nc(N2CCN(c3ccccc3F)CC2)[n-]c2c(-c3ccc(Cl)c(Cl)c3)csc21 ZINC000042379793 527440104 /nfs/dbraw/zinc/44/01/04/527440104.db2.gz IOHKVSWFTZPAHP-UHFFFAOYSA-N -1 1 475.376 5.424 50 0 JKAAMM O=c1nc(N2CCN(c3cccc(Cl)c3)CC2)[n-]c2c(-c3cccc(Cl)c3)csc21 ZINC000048988984 527440367 /nfs/dbraw/zinc/44/03/67/527440367.db2.gz DLOCONNDHCYNPJ-UHFFFAOYSA-N -1 1 457.386 5.285 50 0 JKAAMM O=c1[n-]nc(SCc2cccc(C(F)(F)F)c2)n1-c1ccc(OCc2ccccc2)cc1 ZINC000012370054 527447126 /nfs/dbraw/zinc/44/71/26/527447126.db2.gz WTFPFAYMYHVZMI-UHFFFAOYSA-N -1 1 457.477 5.451 50 0 JKAAMM Cc1nn(-c2ccccc2)nc1C(=O)[N-]c1nnc(Sc2ccnc3cc(Cl)ccc32)s1 ZINC000008647752 527564532 /nfs/dbraw/zinc/56/45/32/527564532.db2.gz GIXBJTXZUKHDSK-UHFFFAOYSA-N -1 1 479.978 5.032 50 0 JKAAMM COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)c(Cl)c(Br)c1[O-] ZINC000000624377 553713135 /nfs/dbraw/zinc/71/31/35/553713135.db2.gz VPYOQIZHGGFJMT-OAQYLSRUSA-N -1 1 489.753 5.596 50 0 JKAAMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000000673835 553746907 /nfs/dbraw/zinc/74/69/07/553746907.db2.gz BSTBADYKDMQHKW-UHFFFAOYSA-N -1 1 451.331 5.055 50 0 JKAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)c1 ZINC000000674193 553747539 /nfs/dbraw/zinc/74/75/39/553747539.db2.gz AWFYDWZMILTIEC-UHFFFAOYSA-N -1 1 458.967 5.084 50 0 JKAAMM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000000676849 553750479 /nfs/dbraw/zinc/75/04/79/553750479.db2.gz HAUFKBWCNFSXQX-HXUWFJFHSA-N -1 1 466.603 5.635 50 0 JKAAMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000000809201 553785055 /nfs/dbraw/zinc/78/50/55/553785055.db2.gz UDAVJHQMROFWRQ-LFVJCYFKSA-N -1 1 474.586 5.131 50 0 JKAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc21 ZINC000000834423 553791252 /nfs/dbraw/zinc/79/12/52/553791252.db2.gz FJEHPFYJJIRPDL-UHFFFAOYSA-N -1 1 458.333 5.660 50 0 JKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2oc1-c1ccccc1 ZINC000000944116 553878409 /nfs/dbraw/zinc/87/84/09/553878409.db2.gz LIPSJFMLBPUDKP-UHFFFAOYSA-N -1 1 455.919 5.731 50 0 JKAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1C ZINC000001104234 553908492 /nfs/dbraw/zinc/90/84/92/553908492.db2.gz QRWLKJQXOFUYCL-UHFFFAOYSA-N -1 1 490.669 5.816 50 0 JKAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(=O)OCc4ccccc4)c3c2)cc1 ZINC000001167058 553920461 /nfs/dbraw/zinc/92/04/61/553920461.db2.gz LUXJSQIHWNRCRX-UHFFFAOYSA-N -1 1 465.527 5.298 50 0 JKAAMM CC(C)(C)OC(=O)NCCCCCC(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001750366 553985786 /nfs/dbraw/zinc/98/57/86/553985786.db2.gz UBGZWDQTBZMHRL-UHFFFAOYSA-N -1 1 467.518 5.156 50 0 biogenic JKAAMM CC(C)(C)OC(=O)NCCCCCC(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000001750366 553985788 /nfs/dbraw/zinc/98/57/88/553985788.db2.gz UBGZWDQTBZMHRL-UHFFFAOYSA-N -1 1 467.518 5.156 50 0 biogenic JKAAMM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001750372 553985793 /nfs/dbraw/zinc/98/57/93/553985793.db2.gz CRZLKQUEJZRJJG-SFHVURJKSA-N -1 1 467.518 5.010 50 0 JKAAMM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000001750372 553985794 /nfs/dbraw/zinc/98/57/94/553985794.db2.gz CRZLKQUEJZRJJG-SFHVURJKSA-N -1 1 467.518 5.010 50 0 JKAAMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)cc3[O-])nc2c1 ZINC000002052210 554011391 /nfs/dbraw/zinc/01/13/91/554011391.db2.gz PHMDBMKFTXRSEP-UHFFFAOYSA-N -1 1 493.588 6.154 50 0 JKAAMM COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(C)ccc1C)c1ccccc21 ZINC000002184801 554081910 /nfs/dbraw/zinc/08/19/10/554081910.db2.gz UMYDPUIOUBHRCI-UHFFFAOYSA-N -1 1 467.543 5.115 50 0 JKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2c1C(=O)OCc1ccccc1 ZINC000002184856 554082298 /nfs/dbraw/zinc/08/22/98/554082298.db2.gz SKAAOJPQLKXICH-UHFFFAOYSA-N -1 1 471.534 6.052 50 0 JKAAMM COC(=O)c1c2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)c3ccccc3c2oc1C(C)(C)C ZINC000002184845 554082343 /nfs/dbraw/zinc/08/23/43/554082343.db2.gz LWXGPSPPUNYPHU-UHFFFAOYSA-N -1 1 479.598 6.396 50 0 JKAAMM Nc1ncc(Oc2ccccc2Br)c(-c2ccc(OCc3ccc(F)cc3)cc2[O-])n1 ZINC000002205104 554092605 /nfs/dbraw/zinc/09/26/05/554092605.db2.gz IDDFXDFZKGSZGB-UHFFFAOYSA-N -1 1 482.309 5.704 50 0 JKAAMM Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccc(Br)cc3)c([O-])c2)cc1 ZINC000002208676 554094117 /nfs/dbraw/zinc/09/41/17/554094117.db2.gz AVKIUIDFWHKMNP-UHFFFAOYSA-N -1 1 462.347 5.748 50 0 JKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccc(F)cc3)cc2[O-])nc(N)nc1C(F)(F)F ZINC000002216150 554097878 /nfs/dbraw/zinc/09/78/78/554097878.db2.gz SMSOWKORAUAKMN-UHFFFAOYSA-N -1 1 485.437 5.844 50 0 JKAAMM Cc1nc(N)nc(-c2ccc(OCc3ccc(Br)cc3)cc2[O-])c1-c1ccccc1 ZINC000002218805 554099569 /nfs/dbraw/zinc/09/95/69/554099569.db2.gz AUUGUUNWHVDUED-UHFFFAOYSA-N -1 1 462.347 5.748 50 0 JKAAMM COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2c(F)cccc2Cl)cc1[O-] ZINC000002241206 554109775 /nfs/dbraw/zinc/10/97/75/554109775.db2.gz KOXWSZUJODGUJH-UHFFFAOYSA-N -1 1 451.885 5.479 50 0 JKAAMM CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1[O-] ZINC000002330324 554151142 /nfs/dbraw/zinc/15/11/42/554151142.db2.gz ZCUNVYVSBXVWRI-UHFFFAOYSA-N -1 1 498.366 6.508 50 0 JKAAMM COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])cc1OC ZINC000002331958 554151656 /nfs/dbraw/zinc/15/16/56/554151656.db2.gz YDIBQMPIEHHWQI-UHFFFAOYSA-N -1 1 477.948 5.656 50 0 JKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(=O)oc2cc1[O-] ZINC000002350710 554161255 /nfs/dbraw/zinc/16/12/55/554161255.db2.gz OUQOBXBCAWNAQJ-UHFFFAOYSA-N -1 1 481.617 8.079 50 0 JKAAMM COc1ccccc1-c1c(C)nc(N)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1[O-] ZINC000002440765 554209592 /nfs/dbraw/zinc/20/95/92/554209592.db2.gz KFLDJEMWXSJWOC-UHFFFAOYSA-N -1 1 482.367 6.301 50 0 JKAAMM O=C(Nc1ccc(Br)cc1Br)c1cc(Cl)cc(Cc2ccccc2)c1[O-] ZINC000002506200 554230619 /nfs/dbraw/zinc/23/06/19/554230619.db2.gz MQKNAPHCDARWDY-UHFFFAOYSA-N -1 1 495.598 6.414 50 0 JKAAMM O=S(=O)([N-]c1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc2ccccc2c1 ZINC000002571148 554236769 /nfs/dbraw/zinc/23/67/69/554236769.db2.gz QEJYQHAUJYMMGS-UHFFFAOYSA-N -1 1 494.947 6.859 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1F ZINC000002622878 554247117 /nfs/dbraw/zinc/24/71/17/554247117.db2.gz XEWVLDTWCUJZMN-UHFFFAOYSA-N -1 1 453.322 5.494 50 0 JKAAMM O=C(NC1CCCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1 ZINC000002634793 554255563 /nfs/dbraw/zinc/25/55/63/554255563.db2.gz KXWSOHSQHHCARZ-UHFFFAOYSA-N -1 1 464.587 5.129 50 0 JKAAMM O=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000002647620 554264783 /nfs/dbraw/zinc/26/47/83/554264783.db2.gz CHDRZVZLFWSUCM-UHFFFAOYSA-N -1 1 468.884 5.090 50 0 JKAAMM O=C(OCc1csc(-c2ccccc2)n1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000002659882 554273767 /nfs/dbraw/zinc/27/37/67/554273767.db2.gz QZOIXMKSURKALF-UHFFFAOYSA-N -1 1 486.521 5.246 50 0 JKAAMM CCN(CC)C(=O)c1sc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)c(C(=O)OC(C)C)c1C ZINC000002742080 554322129 /nfs/dbraw/zinc/32/21/29/554322129.db2.gz YDJFOHPBOGLZIJ-UHFFFAOYSA-N -1 1 492.466 5.052 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccc(COCC(F)(F)F)c1 ZINC000002757377 554329141 /nfs/dbraw/zinc/32/91/41/554329141.db2.gz YNWHGWMTVHMXGR-UHFFFAOYSA-N -1 1 498.910 5.472 50 0 JKAAMM CCCCCCc1cc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccccc3OC)oc2cc1[O-] ZINC000002759178 554330936 /nfs/dbraw/zinc/33/09/36/554330936.db2.gz LDILFHKNGKGGFC-OVXWJCGASA-N -1 1 467.569 7.046 50 0 JKAAMM C[C@@H](c1ccccc1)n1c(=S)[n-]nc1-c1cccc(COc2ccccc2Br)c1 ZINC000002791932 554347485 /nfs/dbraw/zinc/34/74/85/554347485.db2.gz XVINFJDTGMRLBT-INIZCTEOSA-N -1 1 466.404 6.558 50 0 JKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)c(C)c1 ZINC000002875588 554398092 /nfs/dbraw/zinc/39/80/92/554398092.db2.gz VHLAURWSNBMIIC-UHFFFAOYSA-N -1 1 496.938 6.337 50 0 JKAAMM COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000002879545 554400736 /nfs/dbraw/zinc/40/07/36/554400736.db2.gz ZYZGYLGGAACLQO-UHFFFAOYSA-N -1 1 458.967 5.327 50 0 JKAAMM COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(C(C)(C)C)cc(Cl)c1[O-] ZINC000002881208 554403169 /nfs/dbraw/zinc/40/31/69/554403169.db2.gz XORWGJUGEZLYOO-UHFFFAOYSA-N -1 1 461.798 5.785 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3F)ccc2C)c1C ZINC000002882348 554404647 /nfs/dbraw/zinc/40/46/47/554404647.db2.gz OKGQWXGALFLTAD-UHFFFAOYSA-N -1 1 491.382 5.567 50 0 JKAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2F)ccc1C ZINC000002886840 554406694 /nfs/dbraw/zinc/40/66/94/554406694.db2.gz NRSYQHZXPMJSSA-UHFFFAOYSA-N -1 1 477.355 5.258 50 0 JKAAMM CCCCCCc1cc2cc(-c3csc(Nc4cc(OC)ccc4OC)n3)c(=O)oc2cc1[O-] ZINC000002956247 554413271 /nfs/dbraw/zinc/41/32/71/554413271.db2.gz RDTLWZNZAJIUTB-UHFFFAOYSA-N -1 1 480.586 6.506 50 0 biogenic JKAAMM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(=O)c1cccc(Cl)c1 ZINC000003287566 554443836 /nfs/dbraw/zinc/44/38/36/554443836.db2.gz ONKRKXXVDYMEGF-CQSZACIVSA-N -1 1 478.353 5.222 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1Cl ZINC000003329369 554452792 /nfs/dbraw/zinc/45/27/92/554452792.db2.gz NKTIMCOWMPKIIQ-UHFFFAOYSA-N -1 1 472.847 5.551 50 0 JKAAMM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000003358084 554457849 /nfs/dbraw/zinc/45/78/49/554457849.db2.gz SKDJZHRZFLQDOM-UHFFFAOYSA-N -1 1 461.008 5.570 50 0 JKAAMM Cc1sc2nc(SCC(=O)c3ccc([O-])cc3O)n(-c3cccc(C)c3C)c(=O)c2c1C ZINC000003458630 554465218 /nfs/dbraw/zinc/46/52/18/554465218.db2.gz GUGJQNSSQHOLJN-UHFFFAOYSA-N -1 1 466.584 5.067 50 0 JKAAMM CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)c([O-])c2)cc1 ZINC000004089545 554472831 /nfs/dbraw/zinc/47/28/31/554472831.db2.gz UNAOOTCJCVWQSJ-UHFFFAOYSA-N -1 1 489.597 6.123 50 0 JKAAMM COc1ccc(-c2nc(SC(=O)c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(C)cc3)[n-]2)cc1 ZINC000006017589 554499869 /nfs/dbraw/zinc/49/98/69/554499869.db2.gz BMSYVYMQAKMTSZ-UHFFFAOYSA-N -1 1 499.013 5.812 50 0 JKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000006023357 554500161 /nfs/dbraw/zinc/50/01/61/554500161.db2.gz SGRSJJOIUWFFAM-HXUWFJFHSA-N -1 1 489.681 7.835 50 0 JKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@H](C(C)(C)C)C4)cc1 ZINC000006023360 554500207 /nfs/dbraw/zinc/50/02/07/554500207.db2.gz JHEDMYLDGZOCOX-SFHVURJKSA-N -1 1 477.626 6.937 50 0 JKAAMM CCCCCCn1c2ccccc2nc1NCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000006023603 554500670 /nfs/dbraw/zinc/50/06/70/554500670.db2.gz FQCVHQHWQNKLNG-UHFFFAOYSA-N -1 1 476.646 6.338 50 0 JKAAMM CC(C)(C)[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3c2C1 ZINC000006059781 554500916 /nfs/dbraw/zinc/50/09/16/554500916.db2.gz UBJXNKMBOPWMLN-AWEZNQCLSA-N -1 1 462.409 6.147 50 0 JKAAMM CC(C)(C)[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3c2C1 ZINC000006059779 554500951 /nfs/dbraw/zinc/50/09/51/554500951.db2.gz UBJXNKMBOPWMLN-CQSZACIVSA-N -1 1 462.409 6.147 50 0 JKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(COc4cccc5ccccc54)nc3c2)cc1 ZINC000006093475 554505017 /nfs/dbraw/zinc/50/50/17/554505017.db2.gz QUWDHYVVJHSYHA-UHFFFAOYSA-N -1 1 459.527 5.105 50 0 JKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc3ccccc3c1)cc2Br 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TVPSBTPBWIYTRF-UHFFFAOYSA-N -1 1 483.181 5.805 50 0 JKAAMM COc1ccccc1-c1c(-c2ccc(OCc3cc(C)ccc3C)cc2[O-])ncnc1C(F)(F)F ZINC000009409726 555174858 /nfs/dbraw/zinc/17/48/58/555174858.db2.gz TVPIWBQYRHNJTQ-UHFFFAOYSA-N -1 1 480.486 6.739 50 0 JKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccccc4)cc3[O-])nc(N)nc2C(F)(F)F)cc1OC ZINC000009409658 555174944 /nfs/dbraw/zinc/17/49/44/555174944.db2.gz KJJJHWFBWHBFKX-UHFFFAOYSA-N -1 1 497.473 5.713 50 0 JKAAMM [O-]c1cc(OCc2cccc(Cl)c2)ccc1-c1ncncc1-c1ccc(Br)cc1 ZINC000009409919 555175382 /nfs/dbraw/zinc/17/53/82/555175382.db2.gz GMJKCMILLOPPKG-UHFFFAOYSA-N -1 1 467.750 6.511 50 0 JKAAMM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(Br)o2)c(OC)c1 ZINC000009414370 555181475 /nfs/dbraw/zinc/18/14/75/555181475.db2.gz LYGTTZQNOABFMP-UHFFFAOYSA-N -1 1 485.290 5.310 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccc(C)cc3)s2)n1 ZINC000009431850 555200838 /nfs/dbraw/zinc/20/08/38/555200838.db2.gz SVXOGEZKCHNOSM-UHFFFAOYSA-N -1 1 452.030 5.337 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3F)s2)n1 ZINC000009431852 555200870 /nfs/dbraw/zinc/20/08/70/555200870.db2.gz CNQRBCBPPSGHHR-UHFFFAOYSA-N -1 1 455.993 5.167 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3cccc(C)c3)s2)n1 ZINC000009431849 555200880 /nfs/dbraw/zinc/20/08/80/555200880.db2.gz OKHGDQXCYIKCEI-UHFFFAOYSA-N -1 1 452.030 5.337 50 0 JKAAMM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Cl)c1ccccc1 ZINC000009443586 555216222 /nfs/dbraw/zinc/21/62/22/555216222.db2.gz RHCIXTXFCSGJRS-UHFFFAOYSA-N -1 1 465.756 5.156 50 0 JKAAMM CCCc1nnc2c3ccccc3c(-c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)nn12 ZINC000009488348 555263631 /nfs/dbraw/zinc/26/36/31/555263631.db2.gz XCWSBIXSOKQRRY-UHFFFAOYSA-N -1 1 457.559 5.006 50 0 JKAAMM O=C(c1ccco1)N1N=C(c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C[C@@H]1c1ccco1 ZINC000009489498 555264363 /nfs/dbraw/zinc/26/43/63/555264363.db2.gz ZRNPHCYAYMTALS-OAQYLSRUSA-N -1 1 495.944 5.318 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc2ncsc2c1 ZINC000009508099 555293742 /nfs/dbraw/zinc/29/37/42/555293742.db2.gz LELWEEPPHUWLDQ-UHFFFAOYSA-N -1 1 473.963 5.011 50 0 JKAAMM Cc1nc(-c2cccc(NC(=O)Cc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)c2)cs1 ZINC000009516032 555307464 /nfs/dbraw/zinc/30/74/64/555307464.db2.gz SOMNHMPBPYMVBJ-UHFFFAOYSA-N -1 1 481.574 5.240 50 0 JKAAMM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Br)o1 ZINC000009518542 555313859 /nfs/dbraw/zinc/31/38/59/555313859.db2.gz QRNHEUKFFAHQTP-UHFFFAOYSA-N -1 1 483.274 5.064 50 0 JKAAMM COc1ccc(Cn2c3ccccc3c(CNCc3ccccc3Br)c2C(=O)[O-])cc1 ZINC000009531490 555326426 /nfs/dbraw/zinc/32/64/26/555326426.db2.gz UKZDHEDNPAFXRU-UHFFFAOYSA-N -1 1 479.374 5.449 50 0 JKAAMM COc1ccc2c(CNCc3ccccc3Br)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000009532424 555327177 /nfs/dbraw/zinc/32/71/77/555327177.db2.gz MSROXXUULZLWOI-UHFFFAOYSA-N -1 1 493.401 5.757 50 0 JKAAMM Cc1ccc2c(CNCc3ccccc3Br)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000009532921 555327964 /nfs/dbraw/zinc/32/79/64/555327964.db2.gz NWDUSRYESBCBFL-UHFFFAOYSA-N -1 1 463.375 5.749 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cccc(OC(F)F)c1 ZINC000009540060 555332671 /nfs/dbraw/zinc/33/26/71/555332671.db2.gz DVPLLSYPAZOYIQ-UHFFFAOYSA-N -1 1 482.892 5.003 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)CSCc1ccccc1 ZINC000009546001 555340001 /nfs/dbraw/zinc/34/00/01/555340001.db2.gz IGWUBNHAVDNBDV-UHFFFAOYSA-N -1 1 461.008 5.321 50 0 JKAAMM Cc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000009562168 555362135 /nfs/dbraw/zinc/36/21/35/555362135.db2.gz REIUNMKIRACTRR-UHFFFAOYSA-N -1 1 452.429 5.206 50 0 JKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009579349 555382719 /nfs/dbraw/zinc/38/27/19/555382719.db2.gz FZYFFKBIOVMTPR-UHFFFAOYSA-N -1 1 495.601 5.256 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)cc1OC ZINC000013359146 555385261 /nfs/dbraw/zinc/38/52/61/555385261.db2.gz QPQWFYQGHNBDCD-UHFFFAOYSA-N -1 1 450.516 5.135 50 0 JKAAMM O=S(=O)([N-]c1cccc(-c2nc(-c3ccccc3)co2)c1)c1ccc(C2CCCCC2)cc1 ZINC000013359126 555385271 /nfs/dbraw/zinc/38/52/71/555385271.db2.gz MWBXILBTLMJPPH-UHFFFAOYSA-N -1 1 458.583 6.857 50 0 JKAAMM Cc1ccc(-c2coc(-c3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)n2)c(C)c1 ZINC000013360657 555386331 /nfs/dbraw/zinc/38/63/31/555386331.db2.gz JTHXCWATZKCVSQ-UHFFFAOYSA-N -1 1 483.387 6.189 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009679538 555406418 /nfs/dbraw/zinc/40/64/18/555406418.db2.gz PJMBXARQUZMIRR-JOCHJYFZSA-N -1 1 482.323 5.903 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679555 555406882 /nfs/dbraw/zinc/40/68/82/555406882.db2.gz ZHPXXJGUQNUGSS-QFIPXVFZSA-N -1 1 492.329 5.359 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679552 555406960 /nfs/dbraw/zinc/40/69/60/555406960.db2.gz ZHPXXJGUQNUGSS-JOCHJYFZSA-N -1 1 492.329 5.359 50 0 JKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000009597353 555414019 /nfs/dbraw/zinc/41/40/19/555414019.db2.gz XUARRMJPEPLLRC-LOSJGSFVSA-N -1 1 498.608 5.182 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)nc2[O-])cc1F ZINC000009597343 555414037 /nfs/dbraw/zinc/41/40/37/555414037.db2.gz QSYDBQPPEJAVHQ-BJKOFHAPSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)nc2[O-])cc1F ZINC000009597346 555414086 /nfs/dbraw/zinc/41/40/86/555414086.db2.gz QSYDBQPPEJAVHQ-RPWUZVMVSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000009605059 555431752 /nfs/dbraw/zinc/43/17/52/555431752.db2.gz ZGJOGCMAZUMRAV-UHFFFAOYSA-N -1 1 497.573 5.223 50 0 JKAAMM CC(=O)c1sc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)nc1-c1ccccc1 ZINC000009714775 555445023 /nfs/dbraw/zinc/44/50/23/555445023.db2.gz RRZGVNRPULPRPA-UHFFFAOYSA-N -1 1 495.557 5.205 50 0 JKAAMM CC(=O)c1sc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1-c1ccccc1 ZINC000009714934 555445664 /nfs/dbraw/zinc/44/56/64/555445664.db2.gz YHZCNPPDPZRBLK-UHFFFAOYSA-N -1 1 495.557 5.205 50 0 JKAAMM CCN(CC)C(=O)CSc1nc2c(c(=O)[n-]1)[C@@](CC)(C1CCCCC1)Cc1ccccc1-2 ZINC000009730639 555466358 /nfs/dbraw/zinc/46/63/58/555466358.db2.gz RLDJLWKCZVMGEX-AREMUKBSSA-N -1 1 453.652 5.182 50 0 JKAAMM Cc1c(CNCc2ccccc2Br)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000009747284 555479262 /nfs/dbraw/zinc/47/92/62/555479262.db2.gz YDUZOQIVXIDYDE-UHFFFAOYSA-N -1 1 461.787 5.557 50 0 JKAAMM COc1ccccc1CN1C(=O)N(c2ccccc2)[C@@H](N([O-])C(=O)Nc2ccccc2)C1(C)C ZINC000013511665 555483268 /nfs/dbraw/zinc/48/32/68/555483268.db2.gz ZXNWLVKTMHZUNN-QHCPKHFHSA-N -1 1 460.534 5.165 50 0 JKAAMM O=C(Nc1cccc(Cl)c1)c1cc2ccc([O-])cc2o/c1=N\Nc1ccc(Br)cc1 ZINC000009763199 555488284 /nfs/dbraw/zinc/48/82/84/555488284.db2.gz RSOBXEWKLXTPDH-QYQHSDTDSA-N -1 1 484.737 5.734 50 0 JKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOc1cccc(Cl)c1Cl ZINC000009763153 555488318 /nfs/dbraw/zinc/48/83/18/555488318.db2.gz AQZZRPRZYMECOA-YBEGLDIGSA-N -1 1 456.372 5.789 50 0 JKAAMM Cc1noc(C)c1COc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000009823355 555524799 /nfs/dbraw/zinc/52/47/99/555524799.db2.gz LFMPNFNIZZJVAQ-UHFFFAOYSA-N -1 1 487.537 5.192 50 0 JKAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000013596334 555529054 /nfs/dbraw/zinc/52/90/54/555529054.db2.gz YRCMRBVJGRBASF-BLIXFSHQSA-N -1 1 499.272 5.357 50 0 JKAAMM O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccccc1I ZINC000013601794 555530009 /nfs/dbraw/zinc/53/00/09/555530009.db2.gz WDJPBAPWNLAULF-UHFFFAOYSA-N -1 1 456.239 5.057 50 0 biogenic JKAAMM C[C@H](C/C=C/CSc1nc2c(c(=O)[n-]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2)c1ccccc1 ZINC000010013948 555594953 /nfs/dbraw/zinc/59/49/53/555594953.db2.gz UCGFTCLZZOPCMO-SMNBAKBESA-N -1 1 484.709 7.673 50 0 JKAAMM COc1c(C)cc(Br)cc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000013720959 555596528 /nfs/dbraw/zinc/59/65/28/555596528.db2.gz PSFDAAOJVUCRIG-UHFFFAOYSA-N -1 1 453.292 5.532 50 0 JKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000013739043 555606359 /nfs/dbraw/zinc/60/63/59/555606359.db2.gz PNDSLCYIMIPZSL-QFIPXVFZSA-N -1 1 498.505 6.176 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000010060024 555612000 /nfs/dbraw/zinc/61/20/00/555612000.db2.gz RQVWWKYMBXBVBV-UHFFFAOYSA-N -1 1 485.776 5.709 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013770680 555614868 /nfs/dbraw/zinc/61/48/68/555614868.db2.gz RWOJXXMELXBCQV-PFBJBMPXSA-N -1 1 486.568 5.234 50 0 JKAAMM CC(C)C[C@H](NC(=O)c1ccc(NCc2cnc[nH]2)cc1-c1cccc2ccccc21)C(=O)[O-] ZINC000013796731 555620423 /nfs/dbraw/zinc/62/04/23/555620423.db2.gz ODTFPKNIFYMEHP-VWLOTQADSA-N -1 1 456.546 5.071 50 0 in-vitro JKAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000010186312 555639686 /nfs/dbraw/zinc/63/96/86/555639686.db2.gz PSSLCEAQKLMHLT-OAQYLSRUSA-N -1 1 490.585 5.108 50 0 JKAAMM Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000010186309 555639696 /nfs/dbraw/zinc/63/96/96/555639696.db2.gz UHWUPNFFQFTRRN-QFIPXVFZSA-N -1 1 486.622 5.277 50 0 JKAAMM O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000013896598 555643682 /nfs/dbraw/zinc/64/36/82/555643682.db2.gz SEAWOWVNVJOENS-UHFFFAOYSA-N -1 1 474.607 6.032 50 0 JKAAMM C[C@@H]1CCc2c(sc3nc(-c4ccc(OCCSc5ccc(Cl)cc5)cc4)[n-]c(=O)c23)C1 ZINC000013898542 555645077 /nfs/dbraw/zinc/64/50/77/555645077.db2.gz NTYMSDGGBDQRGP-OAHLLOKOSA-N -1 1 483.058 6.601 50 0 JKAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000013936078 555648403 /nfs/dbraw/zinc/64/84/03/555648403.db2.gz MEJFLTCFETXNEN-UHFFFAOYSA-N -1 1 452.388 5.603 50 0 JKAAMM CCOc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000013936125 555648491 /nfs/dbraw/zinc/64/84/91/555648491.db2.gz GMWZIESKJVNHRT-UHFFFAOYSA-N -1 1 461.996 5.348 50 0 JKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000013937361 555649279 /nfs/dbraw/zinc/64/92/79/555649279.db2.gz HWDNUAZXSIJAEF-UHFFFAOYSA-N -1 1 452.388 5.603 50 0 JKAAMM COc1cccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000013937372 555649623 /nfs/dbraw/zinc/64/96/23/555649623.db2.gz SVJSXBQJGQBEPT-UHFFFAOYSA-N -1 1 482.414 5.612 50 0 JKAAMM COc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000013937373 555649668 /nfs/dbraw/zinc/64/96/68/555649668.db2.gz KRLPMYAGHMUMRH-UHFFFAOYSA-N -1 1 482.414 5.612 50 0 JKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1 ZINC000013937420 555649682 /nfs/dbraw/zinc/64/96/82/555649682.db2.gz IAMILAQKRLRHOS-UHFFFAOYSA-N -1 1 484.405 5.420 50 0 JKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 ZINC000013939926 555650010 /nfs/dbraw/zinc/65/00/10/555650010.db2.gz IJIWGCVEDVBNPA-STZFKDTASA-N -1 1 459.589 5.116 50 0 JKAAMM O=C([O-])Cc1sc(-c2cc3ccc(O)cc3oc2=O)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000013942249 555653379 /nfs/dbraw/zinc/65/33/79/555653379.db2.gz QJOIJIGHESTCOH-UHFFFAOYSA-N -1 1 471.490 5.709 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccccc1 ZINC000020134701 555659475 /nfs/dbraw/zinc/65/94/75/555659475.db2.gz WHTNLKANVWOZRW-GOTSBHOMSA-N -1 1 489.000 5.518 50 0 JKAAMM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000020137154 555661011 /nfs/dbraw/zinc/66/10/11/555661011.db2.gz OAXXQDCSGSIWDK-KRWDZBQOSA-N -1 1 474.913 5.079 50 0 JKAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000014123466 555695729 /nfs/dbraw/zinc/69/57/29/555695729.db2.gz KOCZITDHWNSAJU-AWEZNQCLSA-N -1 1 476.429 5.487 50 0 JKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)c1ccccc1Br ZINC000020228560 555719062 /nfs/dbraw/zinc/71/90/62/555719062.db2.gz NJVSOOKHRYSMJE-DHDCSXOGSA-N -1 1 450.335 5.006 50 0 JKAAMM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000014197057 555729243 /nfs/dbraw/zinc/72/92/43/555729243.db2.gz OLYGZISRNGYANA-WFASDCNBSA-N -1 1 478.895 5.131 50 0 JKAAMM O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000014197056 555729290 /nfs/dbraw/zinc/72/92/90/555729290.db2.gz OLYGZISRNGYANA-SWLSCSKDSA-N -1 1 478.895 5.131 50 0 JKAAMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010696732 555734293 /nfs/dbraw/zinc/73/42/93/555734293.db2.gz WSUVHLFDGYCMAA-GOSISDBHSA-N -1 1 459.600 5.099 50 0 JKAAMM O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000011026003 555754691 /nfs/dbraw/zinc/75/46/91/555754691.db2.gz ZVXHXFWDGWNUDM-UHFFFAOYSA-N -1 1 485.590 6.016 50 0 JKAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c1 ZINC000011323579 555772515 /nfs/dbraw/zinc/77/25/15/555772515.db2.gz DJNMAUKFJRGXQV-UHFFFAOYSA-N -1 1 480.540 5.747 50 0 JKAAMM CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[n-]1)C(=O)Nc1c(C)cccc1C ZINC000020355885 555784732 /nfs/dbraw/zinc/78/47/32/555784732.db2.gz ROHKUFQABZFJAL-HXUWFJFHSA-N -1 1 499.658 5.265 50 0 JKAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000011512965 555785146 /nfs/dbraw/zinc/78/51/46/555785146.db2.gz RVNGWMBNBDGWRR-UHFFFAOYSA-N -1 1 464.978 6.391 50 0 JKAAMM COc1ccc(-c2nnc(SCC(=O)c3ccc([O-])cc3O)n2[C@H]2CCCC[C@H]2C)cc1 ZINC000014357840 555797282 /nfs/dbraw/zinc/79/72/82/555797282.db2.gz PJQAJLFMQQEJDB-QRWLVFNGSA-N -1 1 453.564 5.091 50 0 JKAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000020554895 555807838 /nfs/dbraw/zinc/80/78/38/555807838.db2.gz VXJYCINPQINURX-UHFFFAOYSA-N -1 1 492.523 5.223 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000020554911 555807945 /nfs/dbraw/zinc/80/79/45/555807945.db2.gz PDJIEDCVHQNPLZ-UHFFFAOYSA-N -1 1 492.523 5.223 50 0 JKAAMM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(Br)o2)cc1 ZINC000011758392 555810628 /nfs/dbraw/zinc/81/06/28/555810628.db2.gz RZLHZQKNLZCVHK-UHFFFAOYSA-N -1 1 455.264 5.302 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cc2ccccc2o1 ZINC000020567902 555821337 /nfs/dbraw/zinc/82/13/37/555821337.db2.gz BVRMRGRZAFXGBI-UHFFFAOYSA-N -1 1 461.326 5.793 50 0 JKAAMM O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000020570496 555823286 /nfs/dbraw/zinc/82/32/86/555823286.db2.gz HZBUCWOCWBSEJV-UHFFFAOYSA-N -1 1 486.528 5.422 50 0 JKAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)[n-]c(=O)c1C ZINC000011855018 555836667 /nfs/dbraw/zinc/83/66/67/555836667.db2.gz VHCGCGMMSPBTAL-UHFFFAOYSA-N -1 1 481.581 5.149 50 0 JKAAMM Cc1nc(N)nc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000011865096 555839558 /nfs/dbraw/zinc/83/95/58/555839558.db2.gz KIRNWPYNJRJKOX-UHFFFAOYSA-N -1 1 486.786 6.946 50 0 JKAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])cc1OC ZINC000011866294 555841391 /nfs/dbraw/zinc/84/13/91/555841391.db2.gz FYVGMXHZGIIKDB-UHFFFAOYSA-N -1 1 481.911 5.487 50 0 JKAAMM COc1ccccc1-c1cncnc1-c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000011866323 555841468 /nfs/dbraw/zinc/84/14/68/555841468.db2.gz NGUOXOMSCRNRMH-UHFFFAOYSA-N -1 1 453.325 6.411 50 0 JKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccc(C)cc4)cc3[O-])nc(N)nc2C(F)(F)F)cc1 ZINC000011866322 555841508 /nfs/dbraw/zinc/84/15/08/555841508.db2.gz UBJOOLBZYHZNQL-UHFFFAOYSA-N -1 1 481.474 6.013 50 0 JKAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2[O-])cc1 ZINC000011866331 555841761 /nfs/dbraw/zinc/84/17/61/555841761.db2.gz OLEQIVAKJZLJEA-UHFFFAOYSA-N -1 1 468.340 5.993 50 0 JKAAMM CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccc(F)cc2Cl)cc1[O-] ZINC000011866353 555841809 /nfs/dbraw/zinc/84/18/09/555841809.db2.gz SYSPOPYCANJGRP-UHFFFAOYSA-N -1 1 466.896 6.412 50 0 JKAAMM COc1ccccc1Oc1cncnc1-c1ccc(OCc2ccc(F)cc2Cl)cc1[O-] ZINC000011866352 555841853 /nfs/dbraw/zinc/84/18/53/555841853.db2.gz MDGVOOOWFMYWAQ-UHFFFAOYSA-N -1 1 452.869 6.022 50 0 JKAAMM [O-]c1cc(OCc2ccccc2F)ccc1-c1ncncc1-c1ccc(Br)cc1 ZINC000011866385 555841865 /nfs/dbraw/zinc/84/18/65/555841865.db2.gz ZODMHJBYLWUYHM-UHFFFAOYSA-N -1 1 451.295 5.997 50 0 JKAAMM COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2[O-])c1 ZINC000011866365 555841899 /nfs/dbraw/zinc/84/18/99/555841899.db2.gz RWGKKDXXZFXDRQ-UHFFFAOYSA-N -1 1 484.339 6.118 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)ccc2N2CCCCC2)cc1 ZINC000020725150 555847295 /nfs/dbraw/zinc/84/72/95/555847295.db2.gz RNKBNEBKBZTUTJ-PQNGQFLHSA-N -1 1 483.678 5.341 50 0 JKAAMM COc1ccc(NC(=O)c2c3ccccc3oc2[N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 ZINC000011915055 555865847 /nfs/dbraw/zinc/86/58/47/555865847.db2.gz GACWTUCGSLKMLH-UHFFFAOYSA-N -1 1 483.480 5.610 50 0 JKAAMM CCCCN1C(=O)N(c2cccc(Cl)c2)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000015134423 555879704 /nfs/dbraw/zinc/87/97/04/555879704.db2.gz FUAGUIQTWSKTLA-LJQANCHMSA-N -1 1 465.381 6.064 50 0 JKAAMM CCCCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000015134421 555879744 /nfs/dbraw/zinc/87/97/44/555879744.db2.gz FUAGUIQTWSKTLA-IBGZPJMESA-N -1 1 465.381 6.064 50 0 JKAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000012007886 555883804 /nfs/dbraw/zinc/88/38/04/555883804.db2.gz WLDRXODPODUBBJ-UHFFFAOYSA-N -1 1 493.567 5.500 50 0 JKAAMM Cc1ccc(Cl)cc1NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112484 555908693 /nfs/dbraw/zinc/90/86/93/555908693.db2.gz FXILBOKMBWQYGB-UHFFFAOYSA-N -1 1 498.029 5.602 50 0 JKAAMM Cc1cccc(C)c1NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112483 555908731 /nfs/dbraw/zinc/90/87/31/555908731.db2.gz LELRUBWVRXIPRX-UHFFFAOYSA-N -1 1 477.611 5.257 50 0 JKAAMM Cc1ccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)c(C)c1 ZINC000012112487 555908914 /nfs/dbraw/zinc/90/89/14/555908914.db2.gz ZVNWVPDCCUPMMO-UHFFFAOYSA-N -1 1 477.611 5.257 50 0 JKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3ccc(Cl)cc3)[n-]2)cc1 ZINC000012112530 555909156 /nfs/dbraw/zinc/90/91/56/555909156.db2.gz XBMDNGZMVDYYTF-UHFFFAOYSA-N -1 1 498.029 5.602 50 0 JKAAMM CCOc1ccc(OCC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC000015570626 555916124 /nfs/dbraw/zinc/91/61/24/555916124.db2.gz PXYQEMRSKLFBOM-UHFFFAOYSA-N -1 1 468.575 5.154 50 0 JKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1 ZINC000015621249 555919971 /nfs/dbraw/zinc/91/99/71/555919971.db2.gz CMDAJQAFTUTXII-MRXNPFEDSA-N -1 1 473.392 5.049 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCC(=O)Nc4ccccc4C)sc3c2)cc1 ZINC000015669756 555924490 /nfs/dbraw/zinc/92/44/90/555924490.db2.gz NQIWPYGPERBQFI-UHFFFAOYSA-N -1 1 483.640 5.445 50 0 JKAAMM CCOC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)c([O-])c3)o2)cc1 ZINC000015723471 555958412 /nfs/dbraw/zinc/95/84/12/555958412.db2.gz INPJXCUECYWUIU-UHFFFAOYSA-N -1 1 484.533 6.358 50 0 JKAAMM O=S(=O)([N-]c1ccc(Sc2ccccn2)c(Cl)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000012377174 555965748 /nfs/dbraw/zinc/96/57/48/555965748.db2.gz HWINSQSZADBLRL-UHFFFAOYSA-N -1 1 464.999 6.258 50 0 JKAAMM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000012380878 555969404 /nfs/dbraw/zinc/96/94/04/555969404.db2.gz YWUHYYKIRWRLPW-CQSZACIVSA-N -1 1 465.358 5.200 50 0 JKAAMM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(C(C)C)cc2)n(C)c(=O)n3C)cc1 ZINC000015729820 555970770 /nfs/dbraw/zinc/97/07/70/555970770.db2.gz PAOHCOWEOZLHDV-UHFFFAOYSA-N -1 1 481.643 5.261 50 0 JKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cc2ccccc2o1 ZINC000012523910 555993430 /nfs/dbraw/zinc/99/34/30/555993430.db2.gz ABEJFNFNGPSGHD-UHFFFAOYSA-N -1 1 460.433 5.505 50 0 JKAAMM CSc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000012526089 555993998 /nfs/dbraw/zinc/99/39/98/555993998.db2.gz VYKPWAQYSCAYGF-UHFFFAOYSA-N -1 1 481.426 5.697 50 0 JKAAMM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1Cl ZINC000012526300 555994421 /nfs/dbraw/zinc/99/44/21/555994421.db2.gz KBCSSDZRLINZAK-UHFFFAOYSA-N -1 1 483.804 5.937 50 0 JKAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC2CCCCC2)cc1 ZINC000012541688 556016155 /nfs/dbraw/zinc/01/61/55/556016155.db2.gz ZNROPCVFWUCHRX-UHFFFAOYSA-N -1 1 455.502 5.209 50 0 JKAAMM Cc1ccc(NC(=O)CSc2nc3ccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)cc3s2)cc1 ZINC000015838847 556022340 /nfs/dbraw/zinc/02/23/40/556022340.db2.gz JILREUIYMRWBAF-UHFFFAOYSA-N -1 1 497.667 5.753 50 0 JKAAMM COCc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1 ZINC000012548489 556026443 /nfs/dbraw/zinc/02/64/43/556026443.db2.gz PYGSROXWCMHMEH-UHFFFAOYSA-N -1 1 478.492 5.213 50 0 JKAAMM CCC(C)(C)c1ccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000015862903 556036497 /nfs/dbraw/zinc/03/64/97/556036497.db2.gz HTXROJXMEKIMAQ-UHFFFAOYSA-N -1 1 482.993 5.123 50 0 JKAAMM Cc1ccc(Cl)cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000012553256 556036874 /nfs/dbraw/zinc/03/68/74/556036874.db2.gz ILZJCBHGANRQMA-UHFFFAOYSA-N -1 1 464.974 5.784 50 0 JKAAMM Cc1ccccc1-c1coc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)n1 ZINC000015869070 556048132 /nfs/dbraw/zinc/04/81/32/556048132.db2.gz KWDRJWMTPYQYRE-UHFFFAOYSA-N -1 1 469.360 5.880 50 0 JKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000015870169 556049614 /nfs/dbraw/zinc/04/96/14/556049614.db2.gz OHNCKUYUDOEPII-UHFFFAOYSA-N -1 1 465.600 5.647 50 0 JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c(C)c1 ZINC000015870213 556049628 /nfs/dbraw/zinc/04/96/28/556049628.db2.gz BRSVSIZFAZBHHN-UHFFFAOYSA-N -1 1 457.621 5.541 50 0 JKAAMM O=C(Nc1nc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2s1)C1CCCCC1 ZINC000015870209 556049735 /nfs/dbraw/zinc/04/97/35/556049735.db2.gz LMKYJAORWMOLIR-UHFFFAOYSA-N -1 1 483.537 5.635 50 0 JKAAMM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000015870460 556050103 /nfs/dbraw/zinc/05/01/03/556050103.db2.gz LCQTYEBVXIDASJ-UHFFFAOYSA-N -1 1 484.419 5.405 50 0 JKAAMM CCCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000015870785 556051004 /nfs/dbraw/zinc/05/10/04/556051004.db2.gz BYCFPMGTUPXAQY-UHFFFAOYSA-N -1 1 468.022 5.994 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000015882233 556055604 /nfs/dbraw/zinc/05/56/04/556055604.db2.gz JAUWTWSBXAMRGX-UHFFFAOYSA-N -1 1 486.597 5.727 50 0 JKAAMM Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000012562104 556055905 /nfs/dbraw/zinc/05/59/05/556055905.db2.gz SBMASNIJCIKVKA-UHFFFAOYSA-N -1 1 497.976 6.408 50 0 JKAAMM COc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1OC ZINC000012564206 556059840 /nfs/dbraw/zinc/05/98/40/556059840.db2.gz VQGJONGMAQLWKM-AWNIVKPZSA-N -1 1 486.977 5.118 50 0 JKAAMM Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000012564502 556060442 /nfs/dbraw/zinc/06/04/42/556060442.db2.gz MYCCQBODLFBMNU-UHFFFAOYSA-N -1 1 481.318 5.089 50 0 JKAAMM Cc1ccc(SCCC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2C)cc1 ZINC000012564527 556060676 /nfs/dbraw/zinc/06/06/76/556060676.db2.gz LPUFSCJZSRCDDZ-UHFFFAOYSA-N -1 1 475.035 5.879 50 0 JKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1ccc2ncsc2c1 ZINC000015891913 556061097 /nfs/dbraw/zinc/06/10/97/556061097.db2.gz JVKNKUGDJDMMQT-UHFFFAOYSA-N -1 1 488.388 5.112 50 0 JKAAMM COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)cc1 ZINC000015906263 556063622 /nfs/dbraw/zinc/06/36/22/556063622.db2.gz YWJHOAMTWLNKLK-YIXHJXPBSA-N -1 1 477.369 5.455 50 0 JKAAMM CC(C)COc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000015906544 556063654 /nfs/dbraw/zinc/06/36/54/556063654.db2.gz BMJYFSNLBPTSID-UHFFFAOYSA-N -1 1 488.993 5.193 50 0 JKAAMM CCCCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000012644548 556097092 /nfs/dbraw/zinc/09/70/92/556097092.db2.gz MUPBWOUISFTSTO-UHFFFAOYSA-N -1 1 452.576 5.535 50 0 JKAAMM Cc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000012661046 556101106 /nfs/dbraw/zinc/10/11/06/556101106.db2.gz QXTNRWMTDOXQFL-UHFFFAOYSA-N -1 1 474.051 6.382 50 0 JKAAMM CC(C)(C)c1ccc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])cc2)cc1 ZINC000012781438 556111948 /nfs/dbraw/zinc/11/19/48/556111948.db2.gz FVXYRMBOLGMDNX-QFIPXVFZSA-N -1 1 492.645 5.049 50 0 JKAAMM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000024865698 556161469 /nfs/dbraw/zinc/16/14/69/556161469.db2.gz URISQGWBMAGQJG-UHFFFAOYSA-N -1 1 471.312 5.254 50 0 JKAAMM CCCc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000024928089 556164110 /nfs/dbraw/zinc/16/41/10/556164110.db2.gz RIJWYKCZDWGZFF-UHFFFAOYSA-N -1 1 477.413 5.928 50 0 JKAAMM COc1ccc(Br)c(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)c1[O-] ZINC000025145382 556183778 /nfs/dbraw/zinc/18/37/78/556183778.db2.gz OEDQTXYRXMUQRE-UHFFFAOYSA-N -1 1 454.320 6.264 50 0 JKAAMM CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(F)cc2)c1NC(=O)c1ccccc1[O-] ZINC000025148447 556187424 /nfs/dbraw/zinc/18/74/24/556187424.db2.gz MODIPUGGQCDMEE-UHFFFAOYSA-N -1 1 475.520 5.627 50 0 JKAAMM Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000013038445 556236323 /nfs/dbraw/zinc/23/63/23/556236323.db2.gz GLSDHLXJDSVWMC-UHFFFAOYSA-N -1 1 492.984 6.494 50 0 JKAAMM CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1 ZINC000017270150 556249150 /nfs/dbraw/zinc/24/91/50/556249150.db2.gz GURVKKZSPXWJCE-UHFFFAOYSA-N -1 1 495.626 5.342 50 0 JKAAMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1NC1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000013058804 556254553 /nfs/dbraw/zinc/25/45/53/556254553.db2.gz BBVZFFWJJNQUQR-UHFFFAOYSA-N -1 1 466.447 6.270 50 0 JKAAMM CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000017729594 556265240 /nfs/dbraw/zinc/26/52/40/556265240.db2.gz DGPDLHVHLXWXGT-IQMFZBJNSA-N -1 1 467.518 5.010 50 0 biogenic JKAAMM CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000017729594 556265242 /nfs/dbraw/zinc/26/52/42/556265242.db2.gz DGPDLHVHLXWXGT-IQMFZBJNSA-N -1 1 467.518 5.010 50 0 biogenic JKAAMM O=C(NCCc1cccs1)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000017909768 556270592 /nfs/dbraw/zinc/27/05/92/556270592.db2.gz CAQFLSJAESMGJQ-UHFFFAOYSA-N -1 1 488.940 5.194 50 0 JKAAMM Cc1cccc(OCCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000013073458 556273178 /nfs/dbraw/zinc/27/31/78/556273178.db2.gz ITFJPYKDDWCGDT-UHFFFAOYSA-N -1 1 458.967 5.165 50 0 JKAAMM CC(C)N1C(=O)N(c2cccc(Cl)c2)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000027467279 556278988 /nfs/dbraw/zinc/27/89/88/556278988.db2.gz YDYXRINEIDHZML-SFHVURJKSA-N -1 1 451.354 5.672 50 0 JKAAMM Cc1cc2nc(-c3cc(NC(=O)c4ccc(I)cc4)ccc3[O-])oc2cc1C ZINC000027499900 556281124 /nfs/dbraw/zinc/28/11/24/556281124.db2.gz JBDUAZWIKPOOES-UHFFFAOYSA-N -1 1 484.293 5.674 50 0 JKAAMM Cc1ccc2oc(-c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3[O-])nc2c1 ZINC000027519590 556282735 /nfs/dbraw/zinc/28/27/35/556282735.db2.gz JWADLXTWCKUJIK-UHFFFAOYSA-N -1 1 457.711 6.177 50 0 JKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018069112 556283419 /nfs/dbraw/zinc/28/34/19/556283419.db2.gz GXPWKMBLSASAPE-PFBJBMPXSA-N -1 1 486.568 5.234 50 0 JKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCSc1cccc2ccccc21 ZINC000027527895 556289566 /nfs/dbraw/zinc/28/95/66/556289566.db2.gz HISDMALUNSXWJO-STZFKDTASA-N -1 1 453.610 6.349 50 0 JKAAMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1(c2ccc(Cl)cc2)CCC1 ZINC000013097574 556294130 /nfs/dbraw/zinc/29/41/30/556294130.db2.gz LPBBNJYVXRCJOK-UHFFFAOYSA-N -1 1 450.947 5.470 50 0 JKAAMM COc1cc(CNC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000018161108 556296585 /nfs/dbraw/zinc/29/65/85/556296585.db2.gz DQSPYDIJUFPRFM-UHFFFAOYSA-N -1 1 488.613 5.210 50 0 JKAAMM CSc1ncc(Br)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)n1 ZINC000027742731 556304725 /nfs/dbraw/zinc/30/47/25/556304725.db2.gz BSIQGGKAUQZSDY-UHFFFAOYSA-N -1 1 497.374 5.520 50 0 JKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1Cl ZINC000018250237 556316252 /nfs/dbraw/zinc/31/62/52/556316252.db2.gz FEXIHZPNFWLXDE-UHFFFAOYSA-N -1 1 470.960 5.920 50 0 JKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(C)cc1 ZINC000018250247 556316352 /nfs/dbraw/zinc/31/63/52/556316352.db2.gz PGEXUOMSSGUSLS-UHFFFAOYSA-N -1 1 450.542 5.575 50 0 JKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1 ZINC000028224851 556325642 /nfs/dbraw/zinc/32/56/42/556325642.db2.gz QIGHPVQUPDZUPX-UHFFFAOYSA-N -1 1 496.972 5.874 50 0 JKAAMM COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2[O-])cc1OC ZINC000013125508 556340935 /nfs/dbraw/zinc/34/09/35/556340935.db2.gz SHWMPMFIMLFNSG-UHFFFAOYSA-N -1 1 457.530 5.311 50 0 aggregator JKAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c2)cc1 ZINC000013133930 556360549 /nfs/dbraw/zinc/36/05/49/556360549.db2.gz YNZLQWOLHVMAAJ-UHFFFAOYSA-N -1 1 467.547 5.311 50 0 JKAAMM Cc1ccc2nc(NC(=O)c3cc(S(=O)(=O)[N-]c4cccc(C)c4)ccc3C)sc2c1 ZINC000013134004 556360954 /nfs/dbraw/zinc/36/09/54/556360954.db2.gz MWECEMMQUITRDN-UHFFFAOYSA-N -1 1 451.573 5.275 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(c4ccccc24)O[C@@]2(N4CCOCC4)CCCC[C@H]32)cc1 ZINC000019774839 556369125 /nfs/dbraw/zinc/36/91/25/556369125.db2.gz HFRLHXRUNICERG-SQHAQQRYSA-N -1 1 478.614 5.028 50 0 JKAAMM COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4ccc(Cl)cc42)CC3)cc1 ZINC000031815643 556407035 /nfs/dbraw/zinc/40/70/35/556407035.db2.gz SYOPCCDMABVHKT-OAQYLSRUSA-N -1 1 453.951 5.137 50 0 JKAAMM COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(-c2nc3cnccc3o2)c([O-])c1 ZINC000032093224 556414841 /nfs/dbraw/zinc/41/48/41/556414841.db2.gz ROMRMVUNXPAWCZ-UHFFFAOYSA-N -1 1 490.313 5.772 50 0 JKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1cccc2c(Br)cccc12 ZINC000032103933 556417552 /nfs/dbraw/zinc/41/75/52/556417552.db2.gz XBSNAEVWEUJDSC-UHFFFAOYSA-N -1 1 460.287 5.763 50 0 JKAAMM COc1cccc(-n2c3nc(SCc4ccc(Br)cc4)[n-]c(=O)c3sc2=S)c1 ZINC000032948259 556563082 /nfs/dbraw/zinc/56/30/82/556563082.db2.gz IPKHZOQEVBHPIL-UHFFFAOYSA-N -1 1 492.445 5.568 50 0 JKAAMM O=c1[n-]c(SCc2c(F)cccc2Cl)nc2c1sc(=S)n2-c1ccc(Cl)cc1 ZINC000032948332 556563382 /nfs/dbraw/zinc/56/33/82/556563382.db2.gz JOYPDXVDQXQBHT-UHFFFAOYSA-N -1 1 470.403 6.243 50 0 JKAAMM O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[n-]1)Nc1cc(F)ccc1F ZINC000032948385 556563717 /nfs/dbraw/zinc/56/37/17/556563717.db2.gz JQAAENBONUEZSP-UHFFFAOYSA-N -1 1 496.973 5.167 50 0 JKAAMM O=c1[n-]c(SCc2cccc(C(F)(F)F)c2)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948518 556563923 /nfs/dbraw/zinc/56/39/23/556563923.db2.gz GXPXFYQSBIWSEW-UHFFFAOYSA-N -1 1 451.520 5.816 50 0 JKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(F)cc3)c3ccccc23)c1C(=O)OCc1ccccc1 ZINC000008439296 562939322 /nfs/dbraw/zinc/93/93/22/562939322.db2.gz SUBRQSUEWQKEEW-UHFFFAOYSA-N -1 1 489.524 6.191 50 0 aggregator JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595440 562943802 /nfs/dbraw/zinc/94/38/02/562943802.db2.gz JGPZTZQLLCHNPC-XMMPIXPASA-N -1 1 489.553 5.082 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595440 562943803 /nfs/dbraw/zinc/94/38/03/562943803.db2.gz JGPZTZQLLCHNPC-XMMPIXPASA-N -1 1 489.553 5.082 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000008595443 562943917 /nfs/dbraw/zinc/94/39/17/562943917.db2.gz MSYQTUROBYMOKW-QFIPXVFZSA-N -1 1 498.391 6.372 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000008595443 562943919 /nfs/dbraw/zinc/94/39/19/562943919.db2.gz MSYQTUROBYMOKW-QFIPXVFZSA-N -1 1 498.391 6.372 50 0 JKAAMM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1 ZINC000008610236 562947512 /nfs/dbraw/zinc/94/75/12/562947512.db2.gz YIDKENDIEMJHIN-UHFFFAOYSA-N -1 1 466.607 5.114 50 0 JKAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c(C)cc1Cl ZINC000008610233 562947514 /nfs/dbraw/zinc/94/75/14/562947514.db2.gz YVXPARPYTZHMDO-UHFFFAOYSA-N -1 1 456.999 5.205 50 0 JKAAMM Cc1ccc(N2C(=O)[N-]C(=O)[C@@](CCc3ccncc3)(Cc3cccc(Cl)c3Cl)C2=O)cc1 ZINC000008682630 562951576 /nfs/dbraw/zinc/95/15/76/562951576.db2.gz DNDZMWRVBNTQCC-RUZDIDTESA-N -1 1 482.367 5.346 50 0 JKAAMM CC1(C)SC(=S)N(NC(=O)Nc2cccc3ccccc32)[C@@H]1N([O-])C(=O)Nc1ccccc1 ZINC000008683461 562951775 /nfs/dbraw/zinc/95/17/75/562951775.db2.gz MPSKQXBLURAEMY-LJQANCHMSA-N -1 1 481.603 5.238 50 0 JKAAMM CC1(C)SC(=S)N(NC(=O)Nc2ccccc2)[C@H]1N([O-])C(=O)Nc1cccc2ccccc21 ZINC000008684811 562952233 /nfs/dbraw/zinc/95/22/33/562952233.db2.gz JTVBTKHTAQNDIB-IBGZPJMESA-N -1 1 481.603 5.238 50 0 JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CC(C)(C)C4)c3ccccc23)cc1C ZINC000008439289 569589663 /nfs/dbraw/zinc/58/96/63/569589663.db2.gz CQAHIDPHTKHBMV-UHFFFAOYSA-N -1 1 461.583 6.467 50 0 JKAAMM O=C(CSc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1)Nc1ccccc1-c1ccccc1 ZINC000008712165 569596053 /nfs/dbraw/zinc/59/60/53/569596053.db2.gz YZAPZHNOCNLOHB-UHFFFAOYSA-N -1 1 494.041 6.526 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000062633060 569613890 /nfs/dbraw/zinc/61/38/90/569613890.db2.gz DKVPWBIKVBDISX-UHFFFAOYSA-N -1 1 496.510 6.426 50 0 JKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1C ZINC000033007674 569615589 /nfs/dbraw/zinc/61/55/89/569615589.db2.gz YNDIKBBFPAMRJU-UHFFFAOYSA-N -1 1 451.573 5.275 50 0 JKAAMM O=C(Nc1nc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2s1)c1ccccc1 ZINC000033007631 569615593 /nfs/dbraw/zinc/61/55/93/569615593.db2.gz RBDBDGWTDVPDCA-UHFFFAOYSA-N -1 1 488.388 5.112 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)c(C)c1 ZINC000033007835 569615597 /nfs/dbraw/zinc/61/55/97/569615597.db2.gz UDEKWXFBECEOBO-UHFFFAOYSA-N -1 1 451.573 5.275 50 0 JKAAMM O=C(Nc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2s1)c1ccccc1 ZINC000033007646 569615605 /nfs/dbraw/zinc/61/56/05/569615605.db2.gz JCTDGYFCCNVFDM-UHFFFAOYSA-N -1 1 461.927 5.142 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1Cl ZINC000033007842 569615615 /nfs/dbraw/zinc/61/56/15/569615615.db2.gz IGZBQDGSDMBTHJ-UHFFFAOYSA-N -1 1 487.990 5.320 50 0 JKAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2C)s1 ZINC000033007706 569615659 /nfs/dbraw/zinc/61/56/59/569615659.db2.gz CFSIDFOPFVGUIN-UHFFFAOYSA-N -1 1 457.621 5.802 50 0 JKAAMM COc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008017 569615833 /nfs/dbraw/zinc/61/58/33/569615833.db2.gz GJRWUYIODOBFMM-UHFFFAOYSA-N -1 1 481.599 5.283 50 0 JKAAMM COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007973 569615835 /nfs/dbraw/zinc/61/58/35/569615835.db2.gz NUQNOBMWPQORGE-UHFFFAOYSA-N -1 1 481.599 5.283 50 0 JKAAMM CCOc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000064558222 569618587 /nfs/dbraw/zinc/61/85/87/569618587.db2.gz DKPKSBUNICWMAT-DEOSSOPVSA-N -1 1 477.582 5.288 50 0 JKAAMM CCOc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000064558258 569618616 /nfs/dbraw/zinc/61/86/16/569618616.db2.gz FOIARYSNJUOCLP-RUZDIDTESA-N -1 1 491.609 5.849 50 0 JKAAMM CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[n-]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000064579521 569620443 /nfs/dbraw/zinc/62/04/43/569620443.db2.gz MTGNVJWFHZFZNB-FQEVSTJZSA-N -1 1 499.658 5.265 50 0 JKAAMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)c1 ZINC000033169101 569621814 /nfs/dbraw/zinc/62/18/14/569621814.db2.gz ODPXFBMAZLBKDR-UHFFFAOYSA-N -1 1 463.411 6.688 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)cc1Cl ZINC000033274776 569622032 /nfs/dbraw/zinc/62/20/32/569622032.db2.gz FJJKHEZOHFLEDM-UHFFFAOYSA-N -1 1 461.027 5.177 50 0 JKAAMM O=C(/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCc2ccccc21 ZINC000033603970 569628625 /nfs/dbraw/zinc/62/86/25/569628625.db2.gz CSLGSNBCHGBECV-RAXLEYEMSA-N -1 1 472.488 5.109 50 0 JKAAMM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000064843403 569637981 /nfs/dbraw/zinc/63/79/81/569637981.db2.gz YGLUDARPAOMOJI-UHFFFAOYSA-N -1 1 473.982 5.041 50 0 JKAAMM COc1cc(Cl)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)c(OC)c1 ZINC000064845920 569638556 /nfs/dbraw/zinc/63/85/56/569638556.db2.gz UPPPMFADRJNMPQ-UHFFFAOYSA-N -1 1 456.973 5.108 50 0 JKAAMM CCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000065059849 569654950 /nfs/dbraw/zinc/65/49/50/569654950.db2.gz CWLQKGFLVASLOP-UHFFFAOYSA-N -1 1 467.591 5.013 50 0 JKAAMM CCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000065059910 569655158 /nfs/dbraw/zinc/65/51/58/569655158.db2.gz CORXHJLFVHXRLO-UHFFFAOYSA-N -1 1 481.618 5.403 50 0 JKAAMM O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(OCc4ccccc4)cc3)no2)[n-]1 ZINC000065330973 569675036 /nfs/dbraw/zinc/67/50/36/569675036.db2.gz OUGYGIWOIUDRGR-UHFFFAOYSA-N -1 1 468.538 5.771 50 0 JKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(OC(F)(F)F)c2)nc1 ZINC000067294377 569686255 /nfs/dbraw/zinc/68/62/55/569686255.db2.gz ZVIHEXQNDRLPMN-SLMZUGIISA-N -1 1 455.392 5.225 50 0 JKAAMM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000068739835 569691942 /nfs/dbraw/zinc/69/19/42/569691942.db2.gz TXYODGUNLFDOIC-UHFFFAOYSA-N -1 1 481.574 5.235 50 0 JKAAMM Cc1ccc(C(=O)Nc2sc(C(=Cc3ccccc3F)c3nnn[n-]3)nc2-c2ccccc2)cc1 ZINC000080346003 569707844 /nfs/dbraw/zinc/70/78/44/569707844.db2.gz OYTUVKNMCZDSGW-HKWRFOASSA-N -1 1 482.544 5.612 50 0 JKAAMM Cc1ccc(C(=O)Nc2sc(C(=Cc3ccccc3F)c3nn[n-]n3)nc2-c2ccccc2)cc1 ZINC000080346003 569707845 /nfs/dbraw/zinc/70/78/45/569707845.db2.gz OYTUVKNMCZDSGW-HKWRFOASSA-N -1 1 482.544 5.612 50 0 JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](C3=Cc5ccccc5OC3)CC(=O)O4)c2=O)cc1 ZINC000085878008 569716075 /nfs/dbraw/zinc/71/60/75/569716075.db2.gz SMEQCSGJQPVTTH-LJQANCHMSA-N -1 1 468.461 5.043 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4C2=Cc3ccccc3OC2)cc1 ZINC000085878008 569716077 /nfs/dbraw/zinc/71/60/77/569716077.db2.gz SMEQCSGJQPVTTH-LJQANCHMSA-N -1 1 468.461 5.043 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc5ncccc5c3)CC(=O)O4)c2=O)cc1 ZINC000085879116 569716313 /nfs/dbraw/zinc/71/63/13/569716313.db2.gz PYIAFIXOKONNLN-IBGZPJMESA-N -1 1 465.461 5.163 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc3ncccc3c2)cc1 ZINC000085879116 569716314 /nfs/dbraw/zinc/71/63/14/569716314.db2.gz PYIAFIXOKONNLN-IBGZPJMESA-N -1 1 465.461 5.163 50 0 biogenic JKAAMM CC1CCN(Cn2c3cc(S(=O)(=O)[N-]c4cccc(Cl)c4)ccc3oc2=S)CC1 ZINC000089929981 569720475 /nfs/dbraw/zinc/72/04/75/569720475.db2.gz MZWNCPXEMOMEHS-UHFFFAOYSA-N -1 1 452.001 5.107 50 0 JKAAMM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2CN(Cc2ccccc2Cl)C1=O ZINC000035887144 569720843 /nfs/dbraw/zinc/72/08/43/569720843.db2.gz PRCIJOJBAYOOPG-OAHLLOKOSA-N -1 1 491.396 5.104 50 0 JKAAMM CC[C@@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2O[C@H](CC)C1=O ZINC000035910035 569725235 /nfs/dbraw/zinc/72/52/35/569725235.db2.gz KYPSQRSFGYCPMD-LOSJGSFVSA-N -1 1 496.604 5.586 50 0 JKAAMM CC[C@@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2O[C@H](C)C1=O ZINC000035910059 569725279 /nfs/dbraw/zinc/72/52/79/569725279.db2.gz LAQLNAWDQZSLNJ-KOSHJBKYSA-N -1 1 482.577 5.196 50 0 JKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)c2)cc1 ZINC000035910286 569725562 /nfs/dbraw/zinc/72/55/62/569725562.db2.gz DRHQIMYVFNKVLP-DEOSSOPVSA-N -1 1 484.618 5.703 50 0 JKAAMM O=C1CS[C@H](c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)N1c1ccccc1F ZINC000035910255 569725588 /nfs/dbraw/zinc/72/55/88/569725588.db2.gz RZBNOJGHBJIGBH-RUZDIDTESA-N -1 1 478.570 5.558 50 0 JKAAMM Cc1cccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000035910495 569725841 /nfs/dbraw/zinc/72/58/41/569725841.db2.gz UWGNTXWQMKYZED-VWLOTQADSA-N -1 1 480.655 5.872 50 0 JKAAMM Cc1cccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000035910510 569725854 /nfs/dbraw/zinc/72/58/54/569725854.db2.gz VPDWZPFPEXMLQT-RUZDIDTESA-N -1 1 480.655 5.872 50 0 JKAAMM COc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000035910984 569726166 /nfs/dbraw/zinc/72/61/66/569726166.db2.gz QZNLDIMFIVFLHT-VWLOTQADSA-N -1 1 496.654 5.572 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)cc1 ZINC000035910969 569726240 /nfs/dbraw/zinc/72/62/40/569726240.db2.gz VRXHVMNSRWUMOR-SANMLTNESA-N -1 1 474.607 5.728 50 0 JKAAMM O=S(=O)([N-]c1cccc(Br)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073049 569750156 /nfs/dbraw/zinc/75/01/56/569750156.db2.gz BROQRERZVXENKE-UHFFFAOYSA-N -1 1 459.081 5.031 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 ZINC000035912486 569727566 /nfs/dbraw/zinc/72/75/66/569727566.db2.gz NQCUNIBJPKPSKT-AREMUKBSSA-N -1 1 494.682 6.180 50 0 JKAAMM CCOc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000035912457 569727594 /nfs/dbraw/zinc/72/75/94/569727594.db2.gz PGVRYBITPBONAI-QHCPKHFHSA-N -1 1 489.018 5.318 50 0 JKAAMM CCc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000035912521 569727675 /nfs/dbraw/zinc/72/76/75/569727675.db2.gz VVDDXQPSEXSIRR-SANMLTNESA-N -1 1 494.682 6.126 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3SCC(=O)N3c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000035927656 569730631 /nfs/dbraw/zinc/73/06/31/569730631.db2.gz WQEVUGJMLVHCOF-QFIPXVFZSA-N -1 1 492.544 5.593 50 0 JKAAMM O=C([O-])c1ccc(-c2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c(O)cc(-c6ccccc6)oc-5c43)o2)cc1 ZINC000096113716 569732833 /nfs/dbraw/zinc/73/28/33/569732833.db2.gz WUZXMJDIFKHKQE-SFHVURJKSA-N -1 1 494.455 5.565 50 0 biogenic JKAAMM CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096114818 569733810 /nfs/dbraw/zinc/73/38/10/569733810.db2.gz GVWBPOKDVDLFLQ-SFHVURJKSA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096114818 569733811 /nfs/dbraw/zinc/73/38/11/569733811.db2.gz GVWBPOKDVDLFLQ-SFHVURJKSA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)cc1OC(C)C ZINC000096115150 569734178 /nfs/dbraw/zinc/73/41/78/569734178.db2.gz YZXBTMHCCWNJNH-GOSISDBHSA-N -1 1 488.492 5.108 50 0 biogenic JKAAMM C[C@H]1Oc2ccccc2C=C1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096115784 569734656 /nfs/dbraw/zinc/73/46/56/569734656.db2.gz LBPOKOVKEVUSKJ-AUUYWEPGSA-N -1 1 468.461 5.128 50 0 biogenic JKAAMM C[C@H]1Oc2ccccc2C=C1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096115784 569734658 /nfs/dbraw/zinc/73/46/58/569734658.db2.gz LBPOKOVKEVUSKJ-AUUYWEPGSA-N -1 1 468.461 5.128 50 0 biogenic JKAAMM C[C@@H]1Oc2ccccc2C=C1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096115785 569734705 /nfs/dbraw/zinc/73/47/05/569734705.db2.gz LBPOKOVKEVUSKJ-IFXJQAMLSA-N -1 1 468.461 5.128 50 0 biogenic JKAAMM C[C@@H]1Oc2ccccc2C=C1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096115785 569734706 /nfs/dbraw/zinc/73/47/06/569734706.db2.gz LBPOKOVKEVUSKJ-IFXJQAMLSA-N -1 1 468.461 5.128 50 0 biogenic JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc(OCc3cccnc3)c2)S1 ZINC000096118158 569736049 /nfs/dbraw/zinc/73/60/49/569736049.db2.gz RLKLKLNZHNLLGT-KNQAVFIVSA-N -1 1 464.591 5.167 50 0 JKAAMM CN(C)c1nc2ccccc2cc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096221420 569738864 /nfs/dbraw/zinc/73/88/64/569738864.db2.gz BUNHYUCSPJFINW-GOSISDBHSA-N -1 1 478.504 5.221 50 0 biogenic JKAAMM CN(C)c1nc2ccccc2cc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096221420 569738866 /nfs/dbraw/zinc/73/88/66/569738866.db2.gz BUNHYUCSPJFINW-GOSISDBHSA-N -1 1 478.504 5.221 50 0 biogenic JKAAMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072999 569750260 /nfs/dbraw/zinc/75/02/60/569750260.db2.gz KXNUXMUBQRJLNK-UHFFFAOYSA-N -1 1 473.108 5.340 50 0 JKAAMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072739 569750277 /nfs/dbraw/zinc/75/02/77/569750277.db2.gz BZUWMZKHPYNVTD-UHFFFAOYSA-N -1 1 473.108 5.340 50 0 JKAAMM CCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000100616998 569765713 /nfs/dbraw/zinc/76/57/13/569765713.db2.gz SQLCTTVCCOQBHF-UHFFFAOYSA-N -1 1 480.568 5.665 50 0 JKAAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccnc2)cc1 ZINC000101268566 569788602 /nfs/dbraw/zinc/78/86/02/569788602.db2.gz SNHNZCMOSVVRHT-ACSYHNTCSA-N -1 1 497.551 5.505 50 0 JKAAMM CCOc1ccc(-n2c(SCC(=O)c3ccc([O-])cc3O)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000038172247 569799753 /nfs/dbraw/zinc/79/97/53/569799753.db2.gz GXECJYNMIKQMFD-UHFFFAOYSA-N -1 1 486.553 5.201 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)[nH]c1=S ZINC000101494897 569799960 /nfs/dbraw/zinc/79/99/60/569799960.db2.gz SYHDNBWWCWWEDQ-LJQANCHMSA-N -1 1 453.589 5.475 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=S ZINC000101495415 569800348 /nfs/dbraw/zinc/80/03/48/569800348.db2.gz GMOITWMBYZRVKJ-IBGZPJMESA-N -1 1 472.035 6.423 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(OC)c(O)c3)C2)c(=O)[nH]c1=S ZINC000101495527 569800609 /nfs/dbraw/zinc/80/06/09/569800609.db2.gz OGXAMUPSHFMROQ-FQEVSTJZSA-N -1 1 483.615 5.484 50 0 JKAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2cccs2)C1 ZINC000101495654 569800622 /nfs/dbraw/zinc/80/06/22/569800622.db2.gz ZDQCGHNVVRNFRT-LJQANCHMSA-N -1 1 481.986 5.304 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc4ccccc43)C2)c(=O)[nH]c1=S ZINC000101495608 569800691 /nfs/dbraw/zinc/80/06/91/569800691.db2.gz DKNROGUCGISUGP-HSZRJFAPSA-N -1 1 487.650 6.923 50 0 JKAAMM Cc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3[O-])=Nc3ccccc3S2)s1 ZINC000101766825 569805040 /nfs/dbraw/zinc/80/50/40/569805040.db2.gz SPBKRRCCUPSRDJ-QFIPXVFZSA-N -1 1 489.622 5.576 50 0 JKAAMM CCOCc1c2ccccc2oc1C(=O)NC1=C(C(=O)OCC)C(CC)=Nc2ccccc2[N-]1 ZINC000102218748 569811079 /nfs/dbraw/zinc/81/10/79/569811079.db2.gz CKPCQDSVRQFFLH-UHFFFAOYSA-N -1 1 461.518 5.082 50 0 JKAAMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1ccccc1 ZINC000102572518 569814361 /nfs/dbraw/zinc/81/43/61/569814361.db2.gz IQMCXQXHRSJHGR-ULJKERAFSA-N -1 1 492.623 6.082 50 0 JKAAMM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1Cl ZINC000102706722 569816544 /nfs/dbraw/zinc/81/65/44/569816544.db2.gz KGDAWQUMZNCGLS-KKUQBAQOSA-N -1 1 468.940 5.853 50 0 JKAAMM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000102706837 569816685 /nfs/dbraw/zinc/81/66/85/569816685.db2.gz ROOIBETVYZGEJE-KWXIBIRDSA-N -1 1 464.521 5.290 50 0 JKAAMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc3ccccc3nc2Cl)cc1 ZINC000102724689 569817570 /nfs/dbraw/zinc/81/75/70/569817570.db2.gz ZQMYTSYIOLXNNG-TZRRMPRUSA-N -1 1 469.928 5.248 50 0 JKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102738165 569818913 /nfs/dbraw/zinc/81/89/13/569818913.db2.gz MHVHYYNMBVRZLE-ZONZVBGPSA-N -1 1 486.568 5.234 50 0 JKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102751793 569820778 /nfs/dbraw/zinc/82/07/78/569820778.db2.gz TWAUFHMPHXIOKH-ZONZVBGPSA-N -1 1 486.568 5.234 50 0 JKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(C(C)C)cc1 ZINC000103721203 569837417 /nfs/dbraw/zinc/83/74/17/569837417.db2.gz XYEBEYDAJFDMNP-UHFFFAOYSA-N -1 1 478.596 6.390 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000104082650 569840550 /nfs/dbraw/zinc/84/05/50/569840550.db2.gz UTCYFHTZJRINDC-OLILMLBXSA-N -1 1 484.527 6.241 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)N[C@@H](C)c4ccc(F)cc4)C2)nc3=O)cc1 ZINC000049421301 569847122 /nfs/dbraw/zinc/84/71/22/569847122.db2.gz YOTSNBJZKCNDCP-FXAWDEMLSA-N -1 1 490.604 5.193 50 0 JKAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NCc4ccc(Cl)cc4)CC2)nc3=O)c1 ZINC000049421384 569847278 /nfs/dbraw/zinc/84/72/78/569847278.db2.gz ORCBHJWJRVZTPD-UHFFFAOYSA-N -1 1 493.032 5.146 50 0 JKAAMM CCOc1ccc2nc(NC(=O)c3cc4ccc([O-])cc4o/c3=N\c3ccc(OC)cc3)sc2c1 ZINC000050005071 569850290 /nfs/dbraw/zinc/85/02/90/569850290.db2.gz JKHOVKWYFXLBSG-RFBIWTDZSA-N -1 1 487.537 5.640 50 0 JKAAMM O=C(Nc1ccc(F)cc1)c1cc2ccc([O-])cc2o/c1=N\Nc1ccc(Br)cc1 ZINC000050011493 569850342 /nfs/dbraw/zinc/85/03/42/569850342.db2.gz CGLRAFAVBWWHTI-QYQHSDTDSA-N -1 1 468.282 5.220 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)N[C@H](C)c4ccc(F)cc4)C2)nc3=O)cc1 ZINC000106002015 569853657 /nfs/dbraw/zinc/85/36/57/569853657.db2.gz YOTSNBJZKCNDCP-XLIONFOSSA-N -1 1 490.604 5.193 50 0 JKAAMM Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000136213316 569864617 /nfs/dbraw/zinc/86/46/17/569864617.db2.gz ZJLRIAFKGZDUFS-RBZQAINGSA-N -1 1 492.362 5.834 50 0 JKAAMM C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000170626716 569873381 /nfs/dbraw/zinc/87/33/81/569873381.db2.gz MIUULCSECBIPQK-OAHLLOKOSA-N -1 1 491.432 5.369 50 0 JKAAMM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000229985074 570043041 /nfs/dbraw/zinc/04/30/41/570043041.db2.gz MCHXRCKPXYDWTL-RBZQAINGSA-N -1 1 469.928 5.248 50 0 JKAAMM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc3ccccc3nc2Cl)cc1 ZINC000229980385 570043051 /nfs/dbraw/zinc/04/30/51/570043051.db2.gz ZQMYTSYIOLXNNG-RBZQAINGSA-N -1 1 469.928 5.248 50 0 JKAAMM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cn(C)c3ccccc23)cc1 ZINC000229989861 570043175 /nfs/dbraw/zinc/04/31/75/570043175.db2.gz DEHFZJUHONNBRJ-OYUWMTPXSA-N -1 1 481.552 5.018 50 0 JKAAMM O=C(c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000252498152 570082107 /nfs/dbraw/zinc/08/21/07/570082107.db2.gz QVHULUMKQNRCEC-XMMPIXPASA-N -1 1 471.538 5.072 50 0 JKAAMM O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000252499412 570082260 /nfs/dbraw/zinc/08/22/60/570082260.db2.gz SAGPKTALEIWXMK-NRFANRHFSA-N -1 1 493.635 5.602 50 0 JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000253403042 570096889 /nfs/dbraw/zinc/09/68/89/570096889.db2.gz GWSKIJJDNWRUHG-GOSISDBHSA-N -1 1 472.880 5.688 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1ccc3c(c1)OCCO3)CC(=O)O2 ZINC000253410173 570097503 /nfs/dbraw/zinc/09/75/03/570097503.db2.gz MXHMSSXPBFHUFL-MRXNPFEDSA-N -1 1 476.868 5.031 50 0 biogenic JKAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)C1)nc2=O ZINC000253496384 570100192 /nfs/dbraw/zinc/10/01/92/570100192.db2.gz YOTUHFMMCNRKFC-LVCYWYKZSA-N -1 1 464.635 5.284 50 0 JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(C(C)C)cc3)CC(=O)O4)c2=O)cc1OC ZINC000263585293 570170920 /nfs/dbraw/zinc/17/09/20/570170920.db2.gz HBEWZVRNUZUHSZ-LJQANCHMSA-N -1 1 486.520 5.747 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(C(C)C)cc2)cc1OC ZINC000263585293 570170921 /nfs/dbraw/zinc/17/09/21/570170921.db2.gz HBEWZVRNUZUHSZ-LJQANCHMSA-N -1 1 486.520 5.747 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](C3=Cc5ccccc5OC3)CC(=O)O4)c2=O)cc1OC ZINC000263586513 570171803 /nfs/dbraw/zinc/17/18/03/570171803.db2.gz VDJSOVMZKIXPMQ-SFHVURJKSA-N -1 1 498.487 5.052 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4C2=Cc3ccccc3OC2)cc1OC ZINC000263586513 570171804 /nfs/dbraw/zinc/17/18/04/570171804.db2.gz VDJSOVMZKIXPMQ-SFHVURJKSA-N -1 1 498.487 5.052 50 0 biogenic JKAAMM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1cc(Br)c(Cl)s1 ZINC000001030644 194005750 /nfs/dbraw/zinc/00/57/50/194005750.db2.gz QWPLBCJMQLJGDR-UHFFFAOYSA-N -1 1 455.104 5.637 50 0 JKAAMM O=S(=O)([N-]c1ccccc1Sc1nc2ccc(Cl)cc2s1)c1ccc2c(c1)CCO2 ZINC000001031067 194005817 /nfs/dbraw/zinc/00/58/17/194005817.db2.gz BOKXSCDLZASYLX-UHFFFAOYSA-N -1 1 475.016 5.837 50 0 JKAAMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Oc1cncc(Cl)c1 ZINC000001031448 194005948 /nfs/dbraw/zinc/00/59/48/194005948.db2.gz ATATWYPMZHQPEU-UHFFFAOYSA-N -1 1 467.330 5.158 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1c(F)cccc1Cl ZINC000001044709 194008448 /nfs/dbraw/zinc/00/84/48/194008448.db2.gz NHQWERZFLDAPAI-UHFFFAOYSA-N -1 1 473.740 5.839 50 0 JKAAMM Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000001011442 194002986 /nfs/dbraw/zinc/00/29/86/194002986.db2.gz DBCYUYBXFIEOSR-UHFFFAOYSA-N -1 1 462.596 5.680 50 0 JKAAMM COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1Cl ZINC000001065617 194014035 /nfs/dbraw/zinc/01/40/35/194014035.db2.gz CCKXNUIUTCWNIJ-UHFFFAOYSA-N -1 1 458.967 5.029 50 0 JKAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 ZINC000001072832 194016447 /nfs/dbraw/zinc/01/64/47/194016447.db2.gz SENJFDHSYTUVHS-UHFFFAOYSA-N -1 1 472.975 5.095 50 0 JKAAMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1Cl ZINC000001072863 194016604 /nfs/dbraw/zinc/01/66/04/194016604.db2.gz HURJPQIBIRTXDI-UHFFFAOYSA-N -1 1 487.002 5.403 50 0 JKAAMM O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000001150578 194050504 /nfs/dbraw/zinc/05/05/04/194050504.db2.gz QCSJSJQBCUHBGP-UHFFFAOYSA-N -1 1 466.506 5.237 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000001154976 194052469 /nfs/dbraw/zinc/05/24/69/194052469.db2.gz AZHLJDWESYDDBG-UHFFFAOYSA-N -1 1 472.847 5.551 50 0 JKAAMM Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001157708 194053312 /nfs/dbraw/zinc/05/33/12/194053312.db2.gz FFUUWLIFEVRKJT-UHFFFAOYSA-N -1 1 468.884 5.720 50 0 JKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3)c2)c1 ZINC000001196082 194067436 /nfs/dbraw/zinc/06/74/36/194067436.db2.gz RTRLTMCOWAJHLD-UHFFFAOYSA-N -1 1 479.783 5.464 50 0 JKAAMM COc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)cc1Br ZINC000001210141 194071294 /nfs/dbraw/zinc/07/12/94/194071294.db2.gz DFGGRVBRJPDYAJ-UHFFFAOYSA-N -1 1 453.292 5.532 50 0 JKAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000001267333 194081067 /nfs/dbraw/zinc/08/10/67/194081067.db2.gz IQQNEZYMMMEPNQ-UHFFFAOYSA-N -1 1 480.549 5.902 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2ccccc2OC)cc1 ZINC000001430340 194119835 /nfs/dbraw/zinc/11/98/35/194119835.db2.gz VJRDMWHREGMSGM-HSZRJFAPSA-N -1 1 459.527 5.073 50 0 JKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2ccccc2OC)cc1 ZINC000001430340 194119837 /nfs/dbraw/zinc/11/98/37/194119837.db2.gz VJRDMWHREGMSGM-HSZRJFAPSA-N -1 1 459.527 5.073 50 0 JKAAMM CSc1cccc([N-]S(=O)(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1 ZINC000001382311 194113400 /nfs/dbraw/zinc/11/34/00/194113400.db2.gz GPAUSGHZOPFEMY-UHFFFAOYSA-N -1 1 474.913 6.069 50 0 JKAAMM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccccc3F)C2)cc1 ZINC000001409030 194116362 /nfs/dbraw/zinc/11/63/62/194116362.db2.gz FONMMFZSDPCAHI-WRGVRERRSA-N -1 1 498.554 6.549 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1F ZINC000001408985 194116416 /nfs/dbraw/zinc/11/64/16/194116416.db2.gz YKLYNOHWRPFQOH-XBBWARJSSA-N -1 1 484.527 6.241 50 0 JKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(C)cc3C)c3ccccc3c2oc1-c1ccccc1 ZINC000001773924 194137474 /nfs/dbraw/zinc/13/74/74/194137474.db2.gz SAAWJTHLBSHRFG-UHFFFAOYSA-N -1 1 499.588 6.847 50 0 JKAAMM CC(C)(C)CC(C)(C)c1ccc([O-])c(S(=O)(=O)c2cc(C(C)(C)CC(C)(C)C)ccc2O)c1 ZINC000001709591 194131937 /nfs/dbraw/zinc/13/19/37/194131937.db2.gz LMTGYJHIOQZSAA-UHFFFAOYSA-N -1 1 474.707 7.358 50 0 JKAAMM O=C(Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1sc2ccccc2c1Cl ZINC000002968582 194186352 /nfs/dbraw/zinc/18/63/52/194186352.db2.gz KNSQGRHGNWZJQF-UHFFFAOYSA-N -1 1 455.322 6.974 50 0 JKAAMM [O-]c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)cc1Cl ZINC000002978125 194192127 /nfs/dbraw/zinc/19/21/27/194192127.db2.gz BHBCMGAIZGNMPU-OAQYLSRUSA-N -1 1 466.925 5.832 50 0 JKAAMM Cc1ccc2oc(-c3cc(NC(=O)c4cc(Br)ccc4Cl)ccc3[O-])nc2c1 ZINC000003002464 194199667 /nfs/dbraw/zinc/19/96/67/194199667.db2.gz NJRUCQOFNNJIKN-UHFFFAOYSA-N -1 1 457.711 6.177 50 0 JKAAMM Cc1ccc(S(=O)(=O)NN=c2[n-]nc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000003138506 194230917 /nfs/dbraw/zinc/23/09/17/194230917.db2.gz YEEQGTCIVQTZSH-UHFFFAOYSA-N -1 1 492.604 6.091 50 0 JKAAMM O=S(=O)(NN=c1[n-]nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000003138505 194230939 /nfs/dbraw/zinc/23/09/39/194230939.db2.gz HFGPUPUULBQRRV-UHFFFAOYSA-N -1 1 478.577 5.783 50 0 JKAAMM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000003180379 194235294 /nfs/dbraw/zinc/23/52/94/194235294.db2.gz PEWVVCPQANIIIJ-UHFFFAOYSA-N -1 1 477.413 6.344 50 0 JKAAMM O=C(Nc1ccc(F)c(F)c1F)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000003213285 194240050 /nfs/dbraw/zinc/24/00/50/194240050.db2.gz KYZJLENKUZKMMQ-UHFFFAOYSA-N -1 1 475.275 5.464 50 0 JKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCCc2ccccc21 ZINC000003226637 194244488 /nfs/dbraw/zinc/24/44/88/194244488.db2.gz OYWYNSUWEVQPMV-UHFFFAOYSA-N -1 1 460.477 5.099 50 0 JKAAMM CCCCCCc1cc2cc(-c3csc(-c4cc5ccccc5oc4=O)n3)c(=O)oc2cc1[O-] ZINC000003240388 194248224 /nfs/dbraw/zinc/24/82/24/194248224.db2.gz VQURWGPTRYCWMO-UHFFFAOYSA-N -1 1 473.550 6.518 50 0 JKAAMM CCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000003276101 194260276 /nfs/dbraw/zinc/26/02/76/194260276.db2.gz NJFPQIBVXQLDPS-UHFFFAOYSA-N -1 1 457.592 6.187 50 0 JKAAMM O=C(CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1)c1ccc([O-])cc1O ZINC000003277159 194260491 /nfs/dbraw/zinc/26/04/91/194260491.db2.gz SNHCYANYCOZOEZ-UHFFFAOYSA-N -1 1 496.386 5.142 50 0 JKAAMM Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)ccc1Br ZINC000003299403 194271963 /nfs/dbraw/zinc/27/19/63/194271963.db2.gz 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CCC(C)(C)[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(C)cc4)c4ccccc34)c2C1 ZINC000006059792 554500912 /nfs/dbraw/zinc/50/09/12/554500912.db2.gz CVXRKJLOGGTLJH-LJQANCHMSA-N -1 1 461.627 7.236 50 0 JKAAMM CC[C@H](C)c1ccc(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000006144153 554510140 /nfs/dbraw/zinc/51/01/40/554510140.db2.gz DBUZSGJDWLEBHF-INIZCTEOSA-N -1 1 487.524 5.319 50 0 JKAAMM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000006146815 554510851 /nfs/dbraw/zinc/51/08/51/554510851.db2.gz IYZCZIAKMBKTCQ-UHFFFAOYSA-N -1 1 457.285 5.325 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)cc1 ZINC000006269933 554523555 /nfs/dbraw/zinc/52/35/55/554523555.db2.gz IZQHTDYOQQSJFG-UHFFFAOYSA-N -1 1 479.783 5.464 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H]3CCCC[C@H]3C)ccc2N2CCCCC2)cc1 ZINC000006348694 554532316 /nfs/dbraw/zinc/53/23/16/554532316.db2.gz CRFMQRXWDLSRRH-NFBKMPQASA-N -1 1 469.651 5.095 50 0 JKAAMM 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CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)cc2oc1-c1ccccc1 ZINC000008870334 554765121 /nfs/dbraw/zinc/76/51/21/554765121.db2.gz WLRRJJWNCNGXAY-UHFFFAOYSA-N -1 1 469.946 6.039 50 0 JKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CC(C)(C)C4)c(Sc3nc[nH]n3)c2)c1 ZINC000008870319 554765171 /nfs/dbraw/zinc/76/51/71/554765171.db2.gz VIKLXXQBGXSUBE-UHFFFAOYSA-N -1 1 496.614 5.275 50 0 JKAAMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)C[C@@H](C(C)(C)C)CC3 ZINC000008870324 554765178 /nfs/dbraw/zinc/76/51/78/554765178.db2.gz CUBIZPHZKUYVPO-IBGZPJMESA-N -1 1 453.648 6.991 50 0 JKAAMM CCC(C)(C)[C@@H]1CCc2oc3cc(C)c([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3c2C1 ZINC000008870409 554765408 /nfs/dbraw/zinc/76/54/08/554765408.db2.gz XSVBIBITIZPKOU-HXUWFJFHSA-N -1 1 467.675 7.381 50 0 JKAAMM Cc1oc2cc(C)c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OCc1ccccc1 ZINC000008871861 554767579 /nfs/dbraw/zinc/76/75/79/554767579.db2.gz BGXKAFMBFOCJNB-UHFFFAOYSA-N -1 1 491.609 6.505 50 0 JKAAMM 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ZINC000032948686 556564580 /nfs/dbraw/zinc/56/45/80/556564580.db2.gz YVDZODFHNHFSCK-UHFFFAOYSA-N -1 1 462.021 5.768 50 0 JKAAMM COc1ccc(Cl)cc1-n1c2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c2sc1=S ZINC000032948684 556564653 /nfs/dbraw/zinc/56/46/53/556564653.db2.gz FVRUHDIFRPBKQZ-UHFFFAOYSA-N -1 1 482.439 6.112 50 0 JKAAMM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1 ZINC000008610200 562947524 /nfs/dbraw/zinc/94/75/24/562947524.db2.gz KEDQRFFAYATDGT-UHFFFAOYSA-N -1 1 480.634 5.360 50 0 aggregator JKAAMM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCN(Cc2ccc(Cl)cc2)CC1 ZINC000008698596 569593606 /nfs/dbraw/zinc/59/36/06/569593606.db2.gz OURTXVZELYJZBC-UHFFFAOYSA-N -1 1 490.987 5.298 50 0 JKAAMM Cc1ccc(N2CCN(c3nc(=O)c4scc(-c5ccc(Cl)cc5)c4[n-]3)CC2)c(C)c1 ZINC000056987121 569593784 /nfs/dbraw/zinc/59/37/84/569593784.db2.gz TULVVQUUIKXONY-UHFFFAOYSA-N -1 1 450.995 5.248 50 0 JKAAMM O=C1N[C@H](c2cccc(Oc3ccccc3)c2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008735678 569602058 /nfs/dbraw/zinc/60/20/58/569602058.db2.gz RHFMOOIGEUEFAI-VIZSFHNOSA-N -1 1 490.865 5.236 50 0 JKAAMM O=C(Nc1nc2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2s1)c1ccccc1 ZINC000033007641 569615579 /nfs/dbraw/zinc/61/55/79/569615579.db2.gz SFIJURDGXLZJDQ-UHFFFAOYSA-N -1 1 491.638 6.397 50 0 JKAAMM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007847 569615634 /nfs/dbraw/zinc/61/56/34/569615634.db2.gz MHXZHHPDVVUYOL-UHFFFAOYSA-N -1 1 457.964 5.311 50 0 JKAAMM CCc1ccccc1S(=O)(=O)[N-]c1cc2sc(NC(=O)c3ccccc3)nc2c(C)c1 ZINC000033007864 569615757 /nfs/dbraw/zinc/61/57/57/569615757.db2.gz RSSDCZTXYOBPTB-UHFFFAOYSA-N -1 1 451.573 5.220 50 0 JKAAMM COc1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc2sc(NC(C)=O)nc21 ZINC000033007929 569615869 /nfs/dbraw/zinc/61/58/69/569615869.db2.gz RIBMCTNULGYJNV-UHFFFAOYSA-N -1 1 459.593 5.112 50 0 JKAAMM CSc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000064558155 569618555 /nfs/dbraw/zinc/61/85/55/569618555.db2.gz LIVZNJPGXGBRAD-OAQYLSRUSA-N -1 1 451.569 5.048 50 0 JKAAMM CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[n-]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000064579522 569620481 /nfs/dbraw/zinc/62/04/81/569620481.db2.gz MTGNVJWFHZFZNB-HXUWFJFHSA-N -1 1 499.658 5.265 50 0 JKAAMM Cc1ccc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc(=O)n2c1 ZINC000033026193 569620902 /nfs/dbraw/zinc/62/09/02/569620902.db2.gz HZHHFQHUUAQYNS-UHFFFAOYSA-N -1 1 479.627 5.219 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000033169090 569621749 /nfs/dbraw/zinc/62/17/49/569621749.db2.gz RMVPJZNFDJXZCU-UHFFFAOYSA-N -1 1 469.802 6.724 50 0 JKAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C(C)C)cc3)[n-]c2=O)cc1 ZINC000064591982 569622106 /nfs/dbraw/zinc/62/21/06/569622106.db2.gz MJSVTBAEUXJBOF-UHFFFAOYSA-N -1 1 499.658 5.212 50 0 JKAAMM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)s2)c1NC(=O)C1CC1 ZINC000033306627 569622512 /nfs/dbraw/zinc/62/25/12/569622512.db2.gz RJUUJDMTADXNRT-RMKNXTFCSA-N -1 1 477.995 5.326 50 0 JKAAMM CCOc1ccc(-c2nc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[n-]3)c(C)o2)cc1 ZINC000064700394 569624312 /nfs/dbraw/zinc/62/43/12/569624312.db2.gz VHTLJWAMGVUDIJ-UHFFFAOYSA-N -1 1 453.951 6.157 50 0 JKAAMM O=C1[N-]C(=S)SC1=Cc1ccccc1OCOc1ccccc1C=C1SC(=S)NC1=O ZINC000033348310 569624858 /nfs/dbraw/zinc/62/48/58/569624858.db2.gz XSKOUVCDGQTWBO-CQRYCMKKSA-N -1 1 486.621 5.760 50 0 JKAAMM Cc1ccc(Nc2nc(C)cc(Nc3ccc([N-]S(=O)(=O)c4ccccc4Cl)cc3)n2)cc1 ZINC000064802003 569631528 /nfs/dbraw/zinc/63/15/28/569631528.db2.gz IAYVTMLYHDMTRQ-UHFFFAOYSA-N -1 1 479.993 6.035 50 0 JKAAMM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)nc(NC2CCCCC2)n1 ZINC000064802041 569631786 /nfs/dbraw/zinc/63/17/86/569631786.db2.gz ZDGRLXOEBADIBA-UHFFFAOYSA-N -1 1 472.014 5.727 50 0 JKAAMM O=C1N(Cc2ccc(C(F)(F)F)cc2)CCCN1c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000034666977 569640245 /nfs/dbraw/zinc/64/02/45/569640245.db2.gz GLKUEHMWTLXYJJ-UHFFFAOYSA-N -1 1 489.519 5.339 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCN(Cc4cccc(Cl)c4)C3=O)c2)cc1 ZINC000034737643 569654568 /nfs/dbraw/zinc/65/45/68/569654568.db2.gz WDHLHMKMUBQAMA-UHFFFAOYSA-N -1 1 469.994 5.282 50 0 JKAAMM CC(C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000065059711 569654803 /nfs/dbraw/zinc/65/48/03/569654803.db2.gz QOYCEGOTXSQUHT-UHFFFAOYSA-N -1 1 493.629 5.861 50 0 JKAAMM CCCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000065059789 569655022 /nfs/dbraw/zinc/65/50/22/569655022.db2.gz GVLAHGNKNDOIOQ-UHFFFAOYSA-N -1 1 467.591 5.212 50 0 JKAAMM CCCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000065063331 569656408 /nfs/dbraw/zinc/65/64/08/569656408.db2.gz PQMFAAQDLNYERX-UHFFFAOYSA-N -1 1 473.982 5.248 50 0 JKAAMM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)c2)sc1C(=O)N1CCCCC1 ZINC000065117118 569667084 /nfs/dbraw/zinc/66/70/84/569667084.db2.gz GTQSPNUINXUYTN-UHFFFAOYSA-N -1 1 496.079 5.569 50 0 JKAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)n2)c1 ZINC000065330961 569675065 /nfs/dbraw/zinc/67/50/65/569675065.db2.gz NFUJTLYGYPNTCH-UHFFFAOYSA-N -1 1 460.437 5.219 50 0 JKAAMM Cc1nc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)[n-]c(=O)c1Cc1ccccc1 ZINC000065331002 569675084 /nfs/dbraw/zinc/67/50/84/569675084.db2.gz OTGWIVZNELZRNZ-UHFFFAOYSA-N -1 1 474.464 5.322 50 0 JKAAMM CCCCCCc1cc2cc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)c(=O)oc2cc1[O-] ZINC000069871439 569693829 /nfs/dbraw/zinc/69/38/29/569693829.db2.gz HWVCLNAQHUBIKO-UHFFFAOYSA-N -1 1 466.537 7.005 50 0 JKAAMM Cc1ccc(Sc2ccc(NC(=O)Cc3c(C)nc(-c4ccccn4)[n-]c3=O)cc2)cc1C ZINC000069982377 569694492 /nfs/dbraw/zinc/69/44/92/569694492.db2.gz WRLCTOGWIKOOEI-UHFFFAOYSA-N -1 1 456.571 5.090 50 0 JKAAMM O=C(CSc1nnc([N-]C(=O)c2nc3ccccc3s2)s1)Nc1ccccc1C(F)(F)F ZINC000070635054 569695347 /nfs/dbraw/zinc/69/53/47/569695347.db2.gz MHNQSMOOESAJAF-UHFFFAOYSA-N -1 1 495.533 5.150 50 0 JKAAMM CCOc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000071328678 569697075 /nfs/dbraw/zinc/69/70/75/569697075.db2.gz NBMQVDLEVVNIKS-HSZRJFAPSA-N -1 1 463.555 5.034 50 0 JKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(-c2cc(Cl)sc2Cl)o1 ZINC000035586455 569705046 /nfs/dbraw/zinc/70/50/46/569705046.db2.gz FJRBKIDZORZWPW-UHFFFAOYSA-N -1 1 455.710 5.974 50 0 JKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c(Br)c1 ZINC000035557482 569703316 /nfs/dbraw/zinc/70/33/16/569703316.db2.gz HCOSMGJPNJQDPQ-UHFFFAOYSA-N -1 1 468.398 5.327 50 0 JKAAMM O=C(CSc1nnc(CSCc2ccccc2Cl)n1C1CCCCC1)c1ccc([O-])cc1 ZINC000072411034 569703884 /nfs/dbraw/zinc/70/38/84/569703884.db2.gz MQILMAYJMNEQSK-UHFFFAOYSA-N -1 1 488.078 6.551 50 0 JKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000035671375 569706136 /nfs/dbraw/zinc/70/61/36/569706136.db2.gz HNJZTMUBEOXNTR-UHFFFAOYSA-N -1 1 456.885 6.533 50 0 JKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000035671475 569706247 /nfs/dbraw/zinc/70/62/47/569706247.db2.gz IKPIZMQIOPAMSE-UHFFFAOYSA-N -1 1 455.445 6.040 50 0 JKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2Cl)s1 ZINC000035671473 569706259 /nfs/dbraw/zinc/70/62/59/569706259.db2.gz YEHLHZGKIVQWAX-UHFFFAOYSA-N -1 1 477.398 6.353 50 0 JKAAMM Cc1ccccc1[C@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1C(=O)c1ccccc1 ZINC000035684005 569706800 /nfs/dbraw/zinc/70/68/00/569706800.db2.gz WTPMNHPIBRKEIG-MUUNZHRXSA-N -1 1 495.604 5.787 50 0 JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cccnc3N3CCCCC3)CC(=O)O4)c2=O)cc1 ZINC000085875264 569715754 /nfs/dbraw/zinc/71/57/54/569715754.db2.gz RRYMXPRROAMQOB-FQEVSTJZSA-N -1 1 498.535 5.001 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cccnc2N2CCCCC2)cc1 ZINC000085875264 569715755 /nfs/dbraw/zinc/71/57/55/569715755.db2.gz RRYMXPRROAMQOB-FQEVSTJZSA-N -1 1 498.535 5.001 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(OC)c5ccccc53)CC(=O)O4)c2=O)cc1 ZINC000085876266 569715848 /nfs/dbraw/zinc/71/58/48/569715848.db2.gz DSOPOLJPMFTQKV-OAQYLSRUSA-N -1 1 494.499 5.777 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OC)c3ccccc32)cc1 ZINC000085876266 569715849 /nfs/dbraw/zinc/71/58/49/569715849.db2.gz DSOPOLJPMFTQKV-OAQYLSRUSA-N -1 1 494.499 5.777 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(OC)c5ccccc53)CC(=O)O4)c2=O)cc1 ZINC000085876261 569715891 /nfs/dbraw/zinc/71/58/91/569715891.db2.gz DSOPOLJPMFTQKV-NRFANRHFSA-N -1 1 494.499 5.777 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OC)c3ccccc32)cc1 ZINC000085876261 569715892 /nfs/dbraw/zinc/71/58/92/569715892.db2.gz DSOPOLJPMFTQKV-NRFANRHFSA-N -1 1 494.499 5.777 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(C(C)C)cc3)CC(=O)O4)c2=O)cc1 ZINC000085875626 569715934 /nfs/dbraw/zinc/71/59/34/569715934.db2.gz BNIFIOCMZQXQBN-FQEVSTJZSA-N -1 1 456.494 5.739 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(C(C)C)cc2)cc1 ZINC000085875626 569715935 /nfs/dbraw/zinc/71/59/35/569715935.db2.gz BNIFIOCMZQXQBN-FQEVSTJZSA-N -1 1 456.494 5.739 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](C3=Cc5ccccc5OC3)CC(=O)O4)c2=O)cc1 ZINC000085878005 569716006 /nfs/dbraw/zinc/71/60/06/569716006.db2.gz SMEQCSGJQPVTTH-IBGZPJMESA-N -1 1 468.461 5.043 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4C2=Cc3ccccc3OC2)cc1 ZINC000085878005 569716007 /nfs/dbraw/zinc/71/60/07/569716007.db2.gz SMEQCSGJQPVTTH-IBGZPJMESA-N -1 1 468.461 5.043 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2coc3ccc(C)cc3c2=O)cc1 ZINC000085879185 569716205 /nfs/dbraw/zinc/71/62/05/569716205.db2.gz DSZYJMVYZVMKCX-KRWDZBQOSA-N -1 1 496.471 5.030 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cccc5cccnc53)CC(=O)O4)c2=O)cc1 ZINC000085878560 569716286 /nfs/dbraw/zinc/71/62/86/569716286.db2.gz NCASJEMCMWNUFR-IBGZPJMESA-N -1 1 465.461 5.163 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cccc3cccnc32)cc1 ZINC000085878560 569716287 /nfs/dbraw/zinc/71/62/87/569716287.db2.gz NCASJEMCMWNUFR-IBGZPJMESA-N -1 1 465.461 5.163 50 0 biogenic JKAAMM CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000086057381 569717259 /nfs/dbraw/zinc/71/72/59/569717259.db2.gz ACWQPMGZQUPNKX-KRWDZBQOSA-N -1 1 469.994 5.369 50 0 JKAAMM CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000086057560 569717488 /nfs/dbraw/zinc/71/74/88/569717488.db2.gz QZTUNZBMJJRHCJ-SFHVURJKSA-N -1 1 469.994 5.369 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN([C@@H]2CCCc4ccccc42)C(=O)[C@@H](C)O3)cc1F ZINC000035886903 569720655 /nfs/dbraw/zinc/72/06/55/569720655.db2.gz BDUMFTSMNPGMPO-IQGLISFBSA-N -1 1 494.588 5.122 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN([C@@H]2CCCc4ccccc42)C(=O)[C@H](C)O3)cc1F ZINC000035886901 569720668 /nfs/dbraw/zinc/72/06/68/569720668.db2.gz BDUMFTSMNPGMPO-AVRWGWEMSA-N -1 1 494.588 5.122 50 0 JKAAMM CC[C@H](c1ccccc1)N1Cc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2OCC1=O ZINC000035910064 569725373 /nfs/dbraw/zinc/72/53/73/569725373.db2.gz IRKRUJVNDVGAEX-JOCHJYFZSA-N -1 1 470.978 5.013 50 0 JKAAMM O=C1CS[C@H](c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)N1c1ccccc1F ZINC000035910250 569725531 /nfs/dbraw/zinc/72/55/31/569725531.db2.gz FJRVYGRISKSMAR-OAQYLSRUSA-N -1 1 462.955 5.059 50 0 JKAAMM O=C1CS[C@@H](c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)N1c1ccc(F)cc1 ZINC000035910276 569725597 /nfs/dbraw/zinc/72/55/97/569725597.db2.gz XYBNBSQBAGYIKE-NRFANRHFSA-N -1 1 462.955 5.059 50 0 JKAAMM Cc1cccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)c1 ZINC000035910508 569725776 /nfs/dbraw/zinc/72/57/76/569725776.db2.gz DJGXXDICSLHDID-AREMUKBSSA-N -1 1 474.607 5.728 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000035910964 569726184 /nfs/dbraw/zinc/72/61/84/569726184.db2.gz XFEVLHXIGRAWLG-JOCHJYFZSA-N -1 1 458.992 5.228 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000035910971 569726209 /nfs/dbraw/zinc/72/62/09/569726209.db2.gz NORPBDDQDIWTOO-VWLOTQADSA-N -1 1 480.655 5.872 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1C ZINC000035912496 569727491 /nfs/dbraw/zinc/72/74/91/569727491.db2.gz OTQOWSBFPGHPCQ-HHHXNRCGSA-N -1 1 488.634 6.036 50 0 JKAAMM CCOc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000035912467 569727503 /nfs/dbraw/zinc/72/75/03/569727503.db2.gz TWHDGQBZKMSFME-QHCPKHFHSA-N -1 1 489.018 5.318 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1C ZINC000035912495 569727517 /nfs/dbraw/zinc/72/75/17/569727517.db2.gz OTQOWSBFPGHPCQ-MHZLTWQESA-N -1 1 488.634 6.036 50 0 JKAAMM CCc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000035912514 569727663 /nfs/dbraw/zinc/72/76/63/569727663.db2.gz FDIJYOABHVTWEP-HSZRJFAPSA-N -1 1 473.019 5.482 50 0 JKAAMM O=C([O-])c1ccc(-c2ccc([C@H]3CC(=O)Oc4cc(=O)c5c(O)cc(-c6ccccc6)oc-5c43)o2)cc1 ZINC000096113717 569732892 /nfs/dbraw/zinc/73/28/92/569732892.db2.gz WUZXMJDIFKHKQE-GOSISDBHSA-N -1 1 494.455 5.565 50 0 biogenic JKAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)ccc1OC(C)C ZINC000096113876 569733163 /nfs/dbraw/zinc/73/31/63/569733163.db2.gz RGDPUDAXAQLXGJ-SFHVURJKSA-N -1 1 488.492 5.108 50 0 biogenic JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2OCc2ccccn2)S1 ZINC000096116657 569735435 /nfs/dbraw/zinc/73/54/35/569735435.db2.gz GCEWQAZEMHAPKE-XMSQKQJNSA-N -1 1 464.591 5.167 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(Br)cc2F)S1 ZINC000096117175 569735567 /nfs/dbraw/zinc/73/55/67/569735567.db2.gz CISDJWDCWFQQOV-LRDDRELGSA-N -1 1 454.365 5.094 50 0 JKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(F)cc1 ZINC000100079329 569752540 /nfs/dbraw/zinc/75/25/40/569752540.db2.gz JGMPLNOVZNZNGU-UHFFFAOYSA-N -1 1 454.505 5.405 50 0 JKAAMM Cc1ccc(NC(=O)c2nc[n-]c2N=c2scc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000101388427 569795715 /nfs/dbraw/zinc/79/57/15/569795715.db2.gz XBQUBGWHVWWAPW-ZXPTYKNPSA-N -1 1 486.000 6.375 50 0 JKAAMM Cc1ccc(NC(=O)c2[n-]cnc2N=c2scc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000101388427 569795716 /nfs/dbraw/zinc/79/57/16/569795716.db2.gz XBQUBGWHVWWAPW-ZXPTYKNPSA-N -1 1 486.000 6.375 50 0 JKAAMM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)c(=O)n1Cc1ccccc1 ZINC000101494938 569799935 /nfs/dbraw/zinc/79/99/35/569799935.db2.gz LAWPGXBEVVHHFQ-JOCHJYFZSA-N -1 1 489.984 5.302 50 0 JKAAMM CC(C)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101494870 569799970 /nfs/dbraw/zinc/79/99/70/569799970.db2.gz FKYYRRWOTBVZIC-RUZDIDTESA-N -1 1 497.620 5.772 50 0 JKAAMM O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2ccccc2)C1 ZINC000101495084 569800114 /nfs/dbraw/zinc/80/01/14/569800114.db2.gz PTUINWDCJLRVGI-OAQYLSRUSA-N -1 1 475.957 5.243 50 0 JKAAMM Cc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3[O-])=Nc3ccccc3S2)s1 ZINC000101495225 569800334 /nfs/dbraw/zinc/80/03/34/569800334.db2.gz MXOCOOQGPKHKGM-HXUWFJFHSA-N -1 1 496.013 5.613 50 0 JKAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(C(C)C)cc3)C2)c1=O ZINC000101495513 569800399 /nfs/dbraw/zinc/80/03/99/569800399.db2.gz QNFJUOFRYXVTCX-QFIPXVFZSA-N -1 1 463.603 5.524 50 0 JKAAMM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101766613 569804676 /nfs/dbraw/zinc/80/46/76/569804676.db2.gz WLQXIXYLOXQXRX-QFIPXVFZSA-N -1 1 477.586 5.114 50 0 JKAAMM CN(C)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101766639 569804859 /nfs/dbraw/zinc/80/48/59/569804859.db2.gz GCPQFBVECBSTMH-HSZRJFAPSA-N -1 1 490.629 5.171 50 0 JKAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2ccc(F)cc2)C1 ZINC000101766859 569804890 /nfs/dbraw/zinc/80/48/90/569804890.db2.gz VBYBUFBSLQDQHN-OAQYLSRUSA-N -1 1 493.947 5.382 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=S ZINC000101767090 569804937 /nfs/dbraw/zinc/80/49/37/569804937.db2.gz GBFDEFSCHARRBH-NRFANRHFSA-N -1 1 497.642 5.787 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=S ZINC000101767166 569805053 /nfs/dbraw/zinc/80/50/53/569805053.db2.gz SSSBEDKYTOEETK-LJQANCHMSA-N -1 1 453.589 5.475 50 0 JKAAMM Cc1cccc(-c2nnc([C@H](C)Nc3cccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)c3)o2)c1 ZINC000040004964 569813579 /nfs/dbraw/zinc/81/35/79/569813579.db2.gz AZWVHAKGLDHVIB-IBGZPJMESA-N -1 1 462.575 5.636 50 0 JKAAMM COc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2)cc1Cl ZINC000040152757 569820248 /nfs/dbraw/zinc/82/02/48/569820248.db2.gz ZNYGBDYCNCGKHF-UHFFFAOYSA-N -1 1 469.321 5.194 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102749610 569820784 /nfs/dbraw/zinc/82/07/84/569820784.db2.gz RWOJXXMELXBCQV-ZONZVBGPSA-N -1 1 486.568 5.234 50 0 JKAAMM CCc1cccc2c(C3CCN(C(=O)CCn4c(=S)[n-]nc4-c4ccc(C)cc4)CC3)c[nH]c21 ZINC000040157599 569821679 /nfs/dbraw/zinc/82/16/79/569821679.db2.gz PYWYQBUTBNODSW-UHFFFAOYSA-N -1 1 473.646 5.756 50 0 JKAAMM Cc1noc(-c2ccc(Cl)cc2)c1C(=O)[N-]c1nnc(SCc2ccccc2C)s1 ZINC000041097869 569837728 /nfs/dbraw/zinc/83/77/28/569837728.db2.gz TYVYYGFDVFENOR-UHFFFAOYSA-N -1 1 456.980 6.008 50 0 JKAAMM Cc1noc(-c2ccc(Cl)cc2)c1C(=O)[N-]c1nnc(SCc2ccc(C)cc2)s1 ZINC000041097610 569837730 /nfs/dbraw/zinc/83/77/30/569837730.db2.gz QKSBUYRHGJWFLO-UHFFFAOYSA-N -1 1 456.980 6.008 50 0 JKAAMM Cc1noc(-c2ccc(Cl)cc2)c1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000041097858 569837742 /nfs/dbraw/zinc/83/77/42/569837742.db2.gz UHFIOLMIHFDCKC-UHFFFAOYSA-N -1 1 477.398 6.353 50 0 JKAAMM Cc1noc(-c2ccc(Cl)cc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000041097621 569837802 /nfs/dbraw/zinc/83/78/02/569837802.db2.gz QJRLJROHJGTVMG-UHFFFAOYSA-N -1 1 474.875 6.672 50 0 JKAAMM C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421200 569846955 /nfs/dbraw/zinc/84/69/55/569846955.db2.gz FFHAUUYEASUADS-UGKGYDQZSA-N -1 1 486.641 5.006 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NC4CCCCCCC4)C2)nc3=O)cc1 ZINC000049421267 569847059 /nfs/dbraw/zinc/84/70/59/569847059.db2.gz UDVMXXLBKNDEBR-HXUWFJFHSA-N -1 1 478.662 5.406 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)N[C@@H](C)c4ccc(F)cc4)C2)nc3=O)cc1 ZINC000049421300 569847085 /nfs/dbraw/zinc/84/70/85/569847085.db2.gz YOTSNBJZKCNDCP-PXNSSMCTSA-N -1 1 490.604 5.193 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NC4CCCCCCC4)C2)nc3=O)cc1 ZINC000049421266 569847109 /nfs/dbraw/zinc/84/71/09/569847109.db2.gz UDVMXXLBKNDEBR-FQEVSTJZSA-N -1 1 478.662 5.406 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)N[C@@H](C)c4ccccc4)C2)nc3=O)cc1 ZINC000049421299 569847147 /nfs/dbraw/zinc/84/71/47/569847147.db2.gz SFFVKDORCFDUOD-GHTZIAJQSA-N -1 1 472.614 5.054 50 0 JKAAMM O=C(c1cccs1)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1cccs1 ZINC000049545540 569848641 /nfs/dbraw/zinc/84/86/41/569848641.db2.gz RFVKIIXNGLQSCP-NRFANRHFSA-N -1 1 493.635 5.602 50 0 JKAAMM Cc1ccccc1NC(=O)c1cc2ccc([O-])cc2o/c1=N\Nc1ccc(Br)cc1 ZINC000050011489 569850369 /nfs/dbraw/zinc/85/03/69/569850369.db2.gz NKEQIJQXRAMRKF-VYIQYICTSA-N -1 1 464.319 5.389 50 0 JKAAMM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(C=C3SC(=O)[N-]C3=O)cccc2-c2ccccc2)C1 ZINC000118859686 569862822 /nfs/dbraw/zinc/86/28/22/569862822.db2.gz RYPCQAUMALTJSF-CBAAQYGVSA-N -1 1 479.602 5.171 50 0 JKAAMM CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2cc(C(=O)C=C([O-])c3ccc(Cl)cc3)c(O)cc12 ZINC000136410057 569864603 /nfs/dbraw/zinc/86/46/03/569864603.db2.gz MCJABFSRSJBYTC-UHFFFAOYSA-N -1 1 480.347 6.610 50 0 JKAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000226453599 570038046 /nfs/dbraw/zinc/03/80/46/570038046.db2.gz YRCMRBVJGRBASF-CDXJDZJCSA-N -1 1 499.272 5.357 50 0 JKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000226828026 570038694 /nfs/dbraw/zinc/03/86/94/570038694.db2.gz MHVHYYNMBVRZLE-OYUWMTPXSA-N -1 1 486.568 5.234 50 0 JKAAMM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000229954776 570042558 /nfs/dbraw/zinc/04/25/58/570042558.db2.gz MJOIKRDLSPNTGC-ISJGIBHGSA-N -1 1 454.913 5.544 50 0 JKAAMM Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)[C@@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000229953166 570042584 /nfs/dbraw/zinc/04/25/84/570042584.db2.gz COTZMDSNSBKJSY-ISJGIBHGSA-N -1 1 489.358 6.198 50 0 JKAAMM Oc1c2c(c(O)n1-c1cc(Cl)cc(Cl)c1)[C@@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000229952612 570042694 /nfs/dbraw/zinc/04/26/94/570042694.db2.gz IWVMXDZNASXNLL-ISJGIBHGSA-N -1 1 489.358 6.198 50 0 JKAAMM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000229954830 570042707 /nfs/dbraw/zinc/04/27/07/570042707.db2.gz IWRYMFUIBSOYMV-ISJGIBHGSA-N -1 1 454.913 5.544 50 0 JKAAMM CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000245312344 570063788 /nfs/dbraw/zinc/06/37/88/570063788.db2.gz UOCPEYAAYOJILM-NXNJFABFSA-N -1 1 486.930 5.041 50 0 JKAAMM O=C(c1ccco1)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000252498439 570082287 /nfs/dbraw/zinc/08/22/87/570082287.db2.gz RCEXKCZDTRQXTM-OAQYLSRUSA-N -1 1 495.944 5.318 50 0 JKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=NO)oc2cc1[O-] ZINC000252640425 570090313 /nfs/dbraw/zinc/09/03/13/570090313.db2.gz YTNZKVBFFDIPHI-UHFFFAOYSA-N -1 1 454.979 6.995 50 0 JKAAMM CCCCCCc1cc2cc(-c3nc4ccccc4[nH]3)c(=Nc3ccccc3OC)oc2cc1[O-] ZINC000252670617 570092175 /nfs/dbraw/zinc/09/21/75/570092175.db2.gz LDILFHKNGKGGFC-UHFFFAOYSA-N -1 1 467.569 7.046 50 0 JKAAMM CSc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1 ZINC000253401279 570096538 /nfs/dbraw/zinc/09/65/38/570096538.db2.gz FMOLJAPKVSTRIH-KRWDZBQOSA-N -1 1 464.926 5.982 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000253413185 570098195 /nfs/dbraw/zinc/09/81/95/570098195.db2.gz UBTDYWNWIBWLHO-MRXNPFEDSA-N -1 1 486.863 5.366 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000253623674 570105221 /nfs/dbraw/zinc/10/52/21/570105221.db2.gz FMCAAZWYLLYYCW-INIZCTEOSA-N -1 1 485.879 5.514 50 0 biogenic JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3C3CCCCC3)nc2)cc1 ZINC000001029823 194005398 /nfs/dbraw/zinc/00/53/98/194005398.db2.gz NUWFMJXQHSVUKF-UHFFFAOYSA-N -1 1 456.995 6.684 50 0 JKAAMM CC(C)CN1C(=O)N(c2cccc(Cl)c2)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000001030551 194005722 /nfs/dbraw/zinc/00/57/22/194005722.db2.gz CHXMUGWFJLEVNU-IBGZPJMESA-N -1 1 465.381 5.919 50 0 JKAAMM CC(C)CN1C(=O)N(c2cccc(Cl)c2)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000001030555 194005812 /nfs/dbraw/zinc/00/58/12/194005812.db2.gz CHXMUGWFJLEVNU-LJQANCHMSA-N -1 1 465.381 5.919 50 0 JKAAMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)n1 ZINC000001037614 194007331 /nfs/dbraw/zinc/00/73/31/194007331.db2.gz ZZZZIBSVRUABIA-UHFFFAOYSA-N -1 1 461.387 5.290 50 0 JKAAMM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2nc(SC)ncc2Cl)cc1Cl ZINC000001068973 194015588 /nfs/dbraw/zinc/01/55/88/194015588.db2.gz ANXKZMTXIPGRHQ-UHFFFAOYSA-N -1 1 488.352 5.743 50 0 JKAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c1 ZINC000001074021 194017232 /nfs/dbraw/zinc/01/72/32/194017232.db2.gz JMXBZBKDZCYDKN-UHFFFAOYSA-N -1 1 462.493 5.684 50 0 JKAAMM O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001111776 194028065 /nfs/dbraw/zinc/02/80/65/194028065.db2.gz LMFQJLKAKSVOEQ-UHFFFAOYSA-N -1 1 482.911 5.731 50 0 JKAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000001196634 194067378 /nfs/dbraw/zinc/06/73/78/194067378.db2.gz NNDYNZNRACERFM-UHFFFAOYSA-N -1 1 495.782 5.164 50 0 JKAAMM CCOc1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc(OCC)c1OCC ZINC000001206284 194070061 /nfs/dbraw/zinc/07/00/61/194070061.db2.gz MFIATDRERCQRII-UHFFFAOYSA-N -1 1 462.502 5.649 50 0 JKAAMM O=S(=O)([N-]c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccccc1 ZINC000001208334 194070561 /nfs/dbraw/zinc/07/05/61/194070561.db2.gz VBKLFMAEYYNZQQ-UHFFFAOYSA-N -1 1 463.740 5.712 50 0 JKAAMM Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1Cl ZINC000001230489 194076594 /nfs/dbraw/zinc/07/65/94/194076594.db2.gz FVGMYWDRDKXELJ-UHFFFAOYSA-N -1 1 479.783 5.464 50 0 JKAAMM COc1cc2c3c(C)nn(-c4ccccc4)c3nc(-c3cc(Br)ccc3[O-])c2cc1OC ZINC000001210898 194071213 /nfs/dbraw/zinc/07/12/13/194071213.db2.gz KTBCABSYGGZKGX-UHFFFAOYSA-N -1 1 490.357 6.034 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2cc3c(oc(C)c3C(=O)OC(C)C)c3ccccc23)cc1 ZINC000001221131 194074093 /nfs/dbraw/zinc/07/40/93/194074093.db2.gz AMUBHTPCANFWCW-UHFFFAOYSA-N -1 1 453.516 5.269 50 0 aggregator JKAAMM CCC(C)(C)[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(OC)cc4)c4ccccc34)c2C1 ZINC000001405400 194115758 /nfs/dbraw/zinc/11/57/58/194115758.db2.gz NFEAUYCFARPLPX-GOSISDBHSA-N -1 1 477.626 6.937 50 0 JKAAMM CC[C@@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3cc(Cl)ccc3C)[n-]c(=O)c21 ZINC000001407732 194116345 /nfs/dbraw/zinc/11/63/45/194116345.db2.gz AHBKQFVTWMTIOI-DEOSSOPVSA-N -1 1 453.995 5.353 50 0 JKAAMM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccccc3F)C2)cc1 ZINC000001409027 194116402 /nfs/dbraw/zinc/11/64/02/194116402.db2.gz FONMMFZSDPCAHI-PRAQEBQASA-N -1 1 498.554 6.549 50 0 JKAAMM CCOC(=O)C1=C(NC(=O)C(c2ccccc2)c2ccccc2)[N-]c2ccccc2N=C1CC ZINC000002644207 194162920 /nfs/dbraw/zinc/16/29/20/194162920.db2.gz NXDXEYXEURJULN-UHFFFAOYSA-N -1 1 453.542 5.318 50 0 JKAAMM O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1cccc2c(Br)cccc12 ZINC000002926227 194171654 /nfs/dbraw/zinc/17/16/54/194171654.db2.gz TWRFZQLWFHWRQI-UHFFFAOYSA-N -1 1 459.299 6.368 50 0 JKAAMM O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1cccc2c(Br)cccc12 ZINC000002982876 194194704 /nfs/dbraw/zinc/19/47/04/194194704.db2.gz LPJWQONSNAXVIB-UHFFFAOYSA-N -1 1 493.744 7.022 50 0 JKAAMM Cc1ccccc1[N-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)Nc1ccccc1C ZINC000002978820 194192466 /nfs/dbraw/zinc/19/24/66/194192466.db2.gz DAUBGSAADHJDRX-UHFFFAOYSA-N -1 1 466.584 5.058 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCc4ccccc43)ccc2N2CCCCC2)cc1 ZINC000003007802 194202672 /nfs/dbraw/zinc/20/26/72/194202672.db2.gz VIOYJVLLGPWQEH-UHFFFAOYSA-N -1 1 489.641 5.379 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1cccc(Cl)c1 ZINC000003105591 194226373 /nfs/dbraw/zinc/22/63/73/194226373.db2.gz BNKJJLLWBCMCRA-UHFFFAOYSA-N -1 1 480.771 5.547 50 0 JKAAMM Cc1cc(Cc2cc(Br)ccc2[O-])c(O)c(Cc2cc(Br)ccc2O)c1 ZINC000003082417 194224514 /nfs/dbraw/zinc/22/45/14/194224514.db2.gz SONMFUMKMQUDPI-UHFFFAOYSA-N -1 1 478.180 5.818 50 0 JKAAMM CCn1c2ccccc2c2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)ccc21 ZINC000003210635 194239640 /nfs/dbraw/zinc/23/96/40/194239640.db2.gz HELBIZZRTXTBMZ-UHFFFAOYSA-N -1 1 497.620 6.484 50 0 JKAAMM O=C(CSc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1)c1c[nH]c2ccccc21 ZINC000003244161 194249576 /nfs/dbraw/zinc/24/95/76/194249576.db2.gz YHYAZOVBRDCFHM-UHFFFAOYSA-N -1 1 497.985 5.738 50 0 JKAAMM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)n1 ZINC000003331896 194285903 /nfs/dbraw/zinc/28/59/03/194285903.db2.gz TUZCZNNLMUZLMH-UHFFFAOYSA-N -1 1 480.977 5.196 50 0 JKAAMM CCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000003368530 194304581 /nfs/dbraw/zinc/30/45/81/194304581.db2.gz JMOQXTBSLJFLMA-UHFFFAOYSA-N -1 1 451.544 6.042 50 0 JKAAMM CCCc1oc2c(cc([N-]S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)c1C(=O)OCC ZINC000003368372 194304632 /nfs/dbraw/zinc/30/46/32/194304632.db2.gz PCXJKQOWVJPGHE-UHFFFAOYSA-N -1 1 467.543 5.525 50 0 JKAAMM O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1 ZINC000003662499 194355550 /nfs/dbraw/zinc/35/55/50/194355550.db2.gz YVVAMEIFTPBGKC-UHFFFAOYSA-N -1 1 482.517 5.183 50 0 JKAAMM COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(Br)cc3)cc2[O-])cc1 ZINC000009129770 194559449 /nfs/dbraw/zinc/55/94/49/194559449.db2.gz HKKPHKUPBIGOCJ-UHFFFAOYSA-N -1 1 494.345 5.574 50 0 JKAAMM O=c1cc(CSc2nc3ccccc3s2)nc(Nc2ccc(Oc3ccccc3)cc2)[n-]1 ZINC000009846909 194990337 /nfs/dbraw/zinc/99/03/37/194990337.db2.gz WLBFURDXZOHKGE-UHFFFAOYSA-N -1 1 458.568 6.208 50 0 JKAAMM Cc1ccc(Nc2ncnc3sccc32)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000012642844 195072129 /nfs/dbraw/zinc/07/21/29/195072129.db2.gz CKVUBPLKKWPMJD-UHFFFAOYSA-N -1 1 464.494 5.563 50 0 JKAAMM Cc1c(Cl)cccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000012772888 195118908 /nfs/dbraw/zinc/11/89/08/195118908.db2.gz IVLCONLVGKVQOF-UHFFFAOYSA-N -1 1 483.804 5.937 50 0 JKAAMM Cc1c(C(=O)[N-]n2cnc3scc(-c4cccs4)c3c2=O)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012885147 195170218 /nfs/dbraw/zinc/17/02/18/195170218.db2.gz KAIAODQBOSWQJD-UHFFFAOYSA-N -1 1 495.655 5.489 50 0 JKAAMM Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000012898181 195176344 /nfs/dbraw/zinc/17/63/44/195176344.db2.gz MDSZPONGZVTTOO-UHFFFAOYSA-N -1 1 483.804 5.937 50 0 JKAAMM CCCCCCc1cc2cc(-c3cn4c5ccc(Cl)cc5sc4n3)c(=O)oc2cc1[O-] ZINC000020645657 195194971 /nfs/dbraw/zinc/19/49/71/195194971.db2.gz KPWZCRIWDJLXNS-UHFFFAOYSA-N -1 1 452.963 6.804 50 0 JKAAMM CCc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cs1 ZINC000020607060 195181251 /nfs/dbraw/zinc/18/12/51/195181251.db2.gz QAQBHLMLBYVNSM-UHFFFAOYSA-N -1 1 455.388 5.670 50 0 JKAAMM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020714156 195205889 /nfs/dbraw/zinc/20/58/89/195205889.db2.gz UWSRELQESLBWOM-AREMUKBSSA-N -1 1 495.957 5.632 50 0 JKAAMM Cc1cc(=O)[n-]c(SCC(=O)N2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)n1 ZINC000020807896 195228629 /nfs/dbraw/zinc/22/86/29/195228629.db2.gz KZRWIIUXLOWXEP-QHCPKHFHSA-N -1 1 476.646 5.093 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020849959 195230832 /nfs/dbraw/zinc/23/08/32/195230832.db2.gz FVTITBKFPBYJAD-IZZNHLLZSA-N -1 1 496.636 5.790 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903837 195243651 /nfs/dbraw/zinc/24/36/51/195243651.db2.gz FUGNYFJVUPQXCC-RBBKRZOGSA-N -1 1 474.611 5.234 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903584 195243664 /nfs/dbraw/zinc/24/36/64/195243664.db2.gz HYMJGNVSDVYDNA-DNQXCXABSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903831 195243727 /nfs/dbraw/zinc/24/37/27/195243727.db2.gz FUGNYFJVUPQXCC-IRLDBZIGSA-N -1 1 474.611 5.234 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])cc1C ZINC000020903888 195243734 /nfs/dbraw/zinc/24/37/34/195243734.db2.gz YVXXPJKXKKWJHN-GMAHTHKFSA-N -1 1 488.638 5.543 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000020903855 195243741 /nfs/dbraw/zinc/24/37/41/195243741.db2.gz UPVORHSYWQUVQE-PZJWPPBQSA-N -1 1 495.029 5.579 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1F ZINC000020903657 195243802 /nfs/dbraw/zinc/24/38/02/195243802.db2.gz FUFRCZQMPBCVDK-DHIUTWEWSA-N -1 1 490.535 5.143 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccccc1Cl ZINC000020903941 195244117 /nfs/dbraw/zinc/24/41/17/195244117.db2.gz SRJFOPWGCHJJJC-TZIWHRDSSA-N -1 1 495.029 5.579 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])c(C)c1 ZINC000020903905 195244132 /nfs/dbraw/zinc/24/41/32/195244132.db2.gz JOBWVSIHHMSWIT-JTHBVZDNSA-N -1 1 488.638 5.543 50 0 JKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3C)s2)cc1 ZINC000020904010 195244271 /nfs/dbraw/zinc/24/42/71/195244271.db2.gz KWVIDDUQKZMZEX-LOSJGSFVSA-N -1 1 482.609 5.481 50 0 JKAAMM O=C(Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000020903915 195244331 /nfs/dbraw/zinc/24/43/31/195244331.db2.gz JYBBSGQVXULRSY-CTNGQTDRSA-N -1 1 496.564 5.204 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000020904068 195244398 /nfs/dbraw/zinc/24/43/98/195244398.db2.gz FAEVDRSJQNQACI-DNQXCXABSA-N -1 1 486.572 5.312 50 0 JKAAMM COc1ccc(Br)cc1CNCc1c(C)n(-c2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC000021025516 195268768 /nfs/dbraw/zinc/26/87/68/195268768.db2.gz GOAGDBURAMXJRL-UHFFFAOYSA-N -1 1 457.368 5.162 50 0 JKAAMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000058029132 195363100 /nfs/dbraw/zinc/36/31/00/195363100.db2.gz NVJCXTILJPRBHR-UHFFFAOYSA-N -1 1 459.021 6.112 50 0 JKAAMM COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000021784399 195320946 /nfs/dbraw/zinc/32/09/46/195320946.db2.gz UGTBDJUKFVDJCN-INIZCTEOSA-N -1 1 486.391 5.028 50 0 JKAAMM COc1ccc(Br)cc1[C@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000021784402 195320976 /nfs/dbraw/zinc/32/09/76/195320976.db2.gz UGTBDJUKFVDJCN-MRXNPFEDSA-N -1 1 486.391 5.028 50 0 JKAAMM COc1ccc(Br)cc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000021784407 195321049 /nfs/dbraw/zinc/32/10/49/195321049.db2.gz VQCTVTOKSZODMF-MRXNPFEDSA-N -1 1 486.391 5.028 50 0 JKAAMM COC(=O)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102861131 130331912 /nfs/dbraw/zinc/33/19/12/130331912.db2.gz UZIPHRBUNIWBGW-VWLOTQADSA-N -1 1 476.529 5.131 50 0 JKAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CCC3)c2)cc1 ZINC000065059833 519441782 /nfs/dbraw/zinc/44/17/82/519441782.db2.gz AUCCFSRPZSPXTP-UHFFFAOYSA-N -1 1 479.602 5.156 50 0 JKAAMM CC(C)CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000033115262 519655262 /nfs/dbraw/zinc/65/52/62/519655262.db2.gz IFSALYNIAWQQRB-UHFFFAOYSA-N -1 1 468.663 5.729 50 0 JKAAMM CC(C)Oc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1 ZINC000021784729 519781606 /nfs/dbraw/zinc/78/16/06/519781606.db2.gz MKHPDBPUVIQPAD-SFHVURJKSA-N -1 1 455.967 5.389 50 0 JKAAMM CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000021784531 519784865 /nfs/dbraw/zinc/78/48/65/519784865.db2.gz GMGMGBYDLBYJKZ-QGZVFWFLSA-N -1 1 455.967 5.389 50 0 JKAAMM CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000021784534 519784903 /nfs/dbraw/zinc/78/49/03/519784903.db2.gz MUZHJQCZPCMXSX-INIZCTEOSA-N -1 1 455.967 5.389 50 0 JKAAMM CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)C2)cc1 ZINC000049421142 519836187 /nfs/dbraw/zinc/83/61/87/519836187.db2.gz ILMDDVNAOLVNNO-JOCHJYFZSA-N -1 1 486.641 5.308 50 0 JKAAMM CCCSc1ncc(Cl)c(C(=O)[N-]c2oc3ccccc3c2C(=O)c2ccc(C)cc2)n1 ZINC000016742469 520570481 /nfs/dbraw/zinc/57/04/81/520570481.db2.gz DOOHEPWVCRBKKM-UHFFFAOYSA-N -1 1 465.962 6.170 50 0 JKAAMM CCCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000033138646 520685736 /nfs/dbraw/zinc/68/57/36/520685736.db2.gz LHTOBNNPEOVJNL-UHFFFAOYSA-N -1 1 476.023 5.217 50 0 JKAAMM CCCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000021784597 520894272 /nfs/dbraw/zinc/89/42/72/520894272.db2.gz UDLADRJQHSIHQV-IBGZPJMESA-N -1 1 453.539 5.267 50 0 JKAAMM CCCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1 ZINC000021784604 520894295 /nfs/dbraw/zinc/89/42/95/520894295.db2.gz NBDMVUJHWBIHMF-SFHVURJKSA-N -1 1 453.539 5.267 50 0 JKAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000033297858 521194899 /nfs/dbraw/zinc/19/48/99/521194899.db2.gz FBLWVHSEYCDCGE-XFXZXTDPSA-N -1 1 479.480 5.322 50 0 JKAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000033297904 521195298 /nfs/dbraw/zinc/19/52/98/521195298.db2.gz UQZVNYZCAZPSSA-RAXLEYEMSA-N -1 1 459.955 5.265 50 0 JKAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000033297942 521196112 /nfs/dbraw/zinc/19/61/12/521196112.db2.gz UDLOMYDWIWKHMF-MLPAPPSSSA-N -1 1 479.480 5.322 50 0 JKAAMM CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)cc1OC ZINC000020463977 521271009 /nfs/dbraw/zinc/27/10/09/521271009.db2.gz JGWUSFZTDBOPBJ-MRXNPFEDSA-N -1 1 471.966 5.009 50 0 JKAAMM CCCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000033122353 521339497 /nfs/dbraw/zinc/33/94/97/521339497.db2.gz ABQGYXQSTXEVLB-UHFFFAOYSA-N -1 1 495.674 5.536 50 0 JKAAMM CCCc1cc(Sc2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)n2ncnc2n1 ZINC000033122323 521386270 /nfs/dbraw/zinc/38/62/70/521386270.db2.gz MWKFTFHVRMFFCE-UHFFFAOYSA-N -1 1 481.647 5.227 50 0 JKAAMM CCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)n1 ZINC000009431807 521787403 /nfs/dbraw/zinc/78/74/03/521787403.db2.gz RFHBZQAFHHMRBS-UHFFFAOYSA-N -1 1 458.421 5.292 50 0 JKAAMM COc1cc(-c2ccc(Cl)cc2)nc2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 ZINC000033292729 521898879 /nfs/dbraw/zinc/89/88/79/521898879.db2.gz HSYZGTKTEOPNCW-UHFFFAOYSA-N -1 1 481.961 5.323 50 0 JKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOCCOc1ccccc1C ZINC000020419038 521956463 /nfs/dbraw/zinc/95/64/63/521956463.db2.gz FXOJJODYPKAQDX-CPNJWEJPSA-N -1 1 480.007 5.461 50 0 JKAAMM COc1ccc(-c2nc(C)c(-c3cc(=O)[n-]c(SCC(=O)Nc4ccc(F)cc4)n3)s2)cc1 ZINC000033170115 523191815 /nfs/dbraw/zinc/19/18/15/523191815.db2.gz OSAKYXDDRXMSMZ-UHFFFAOYSA-N -1 1 482.562 5.160 50 0 JKAAMM COc1ccc(-c2nc(C)c(-c3cc(=O)[n-]c(SCC(=O)Nc4ccccc4C)n3)s2)cc1 ZINC000033170116 523191889 /nfs/dbraw/zinc/19/18/89/523191889.db2.gz VPEMDYMNAKBDCZ-UHFFFAOYSA-N -1 1 478.599 5.329 50 0 JKAAMM CCn1c2cc([N-]S(=O)(=O)c3ccc(C)cc3C)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045941047 523259623 /nfs/dbraw/zinc/25/96/23/523259623.db2.gz WFNKHSOQOJYRET-UHFFFAOYSA-N -1 1 481.643 5.412 50 0 JKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490516 523877252 /nfs/dbraw/zinc/87/72/52/523877252.db2.gz PMZIJCWGJMPKOH-DQEYMECFSA-N -1 1 498.608 5.182 50 0 JKAAMM CCc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020491108 523976115 /nfs/dbraw/zinc/97/61/15/523976115.db2.gz WAWSZYVLBWRDHO-IZZNHLLZSA-N -1 1 496.636 5.735 50 0 JKAAMM Cc1ccc(C)c(OCC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2C)c1 ZINC000015913330 524168094 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/nfs/dbraw/zinc/23/30/40/524233040.db2.gz WJTOREZOMXVFAD-DNQXCXABSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491369 524233486 /nfs/dbraw/zinc/23/34/86/524233486.db2.gz QNOOUJXNHXMFRN-FTJBHMTQSA-N -1 1 496.636 5.790 50 0 JKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020491300 524524389 /nfs/dbraw/zinc/52/43/89/524524389.db2.gz SZBVYAZTNGMYMI-LOSJGSFVSA-N -1 1 498.608 5.182 50 0 JKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(C)cc2)nc1[O-] ZINC000020491133 524601766 /nfs/dbraw/zinc/60/17/66/524601766.db2.gz SAZGWNLKRXGCIY-NOZRDPDXSA-N -1 1 498.608 5.182 50 0 JKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(C)cc2)nc1[O-] ZINC000020491135 524602908 /nfs/dbraw/zinc/60/29/08/524602908.db2.gz SAZGWNLKRXGCIY-ILBGXUMGSA-N -1 1 498.608 5.182 50 0 JKAAMM COc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000013936160 524633079 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COUQAHHTOMVCCI-OAHLLOKOSA-N -1 1 494.567 5.024 50 0 JKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020490831 525092772 /nfs/dbraw/zinc/09/27/72/525092772.db2.gz ALQWDMBEPRYOOZ-CLJLJLNGSA-N -1 1 496.636 5.790 50 0 JKAAMM Cc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000033130329 525166613 /nfs/dbraw/zinc/16/66/13/525166613.db2.gz GLJJUSRMMXNBEC-UHFFFAOYSA-N -1 1 456.567 5.393 50 0 JKAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000012252757 525633783 /nfs/dbraw/zinc/63/37/83/525633783.db2.gz GVEDYBIJONRMSV-UHFFFAOYSA-N -1 1 481.574 5.088 50 0 JKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)cc3Cl)sc2c1 ZINC000033169077 525655782 /nfs/dbraw/zinc/65/57/82/525655782.db2.gz NGJASEMCRJKNGW-UHFFFAOYSA-N -1 1 458.992 6.043 50 0 JKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc5c(c4)CCC5)cc3Cl)sc2c1 ZINC000033169083 525655875 /nfs/dbraw/zinc/65/58/75/525655875.db2.gz XFFRGRROPVHDFO-UHFFFAOYSA-N -1 1 471.003 5.915 50 0 JKAAMM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(CC(C)C)cc2)n(C)c(=O)n3C)cc1 ZINC000045941121 525669819 /nfs/dbraw/zinc/66/98/19/525669819.db2.gz ROPDVQKHYBJCRU-UHFFFAOYSA-N -1 1 495.670 5.336 50 0 JKAAMM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc4c(c2)CCCC4)n(C)c(=O)n3C)cc1 ZINC000045941113 525670195 /nfs/dbraw/zinc/67/01/95/525670195.db2.gz DMYPWHGFCDKAIL-UHFFFAOYSA-N -1 1 493.654 5.016 50 0 JKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000020491114 525791912 /nfs/dbraw/zinc/79/19/12/525791912.db2.gz QZWMPWBOXFBUDJ-ZEQRLZLVSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000020491070 525792396 /nfs/dbraw/zinc/79/23/96/525792396.db2.gz NJLOUVVEQLLGQX-BJKOFHAPSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000020491074 525792429 /nfs/dbraw/zinc/79/24/29/525792429.db2.gz NJLOUVVEQLLGQX-ZEQRLZLVSA-N -1 1 486.572 5.312 50 0 JKAAMM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(F)cc3F)c2oc1C(=O)N1CCCCC1 ZINC000065010599 525942482 /nfs/dbraw/zinc/94/24/82/525942482.db2.gz MOVCVOOXZQXZLN-UHFFFAOYSA-N -1 1 462.518 5.063 50 0 JKAAMM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(F)cc3F)c2oc1C(=O)N1CCCCCC1 ZINC000065010914 525943525 /nfs/dbraw/zinc/94/35/25/525943525.db2.gz DPKQTCILCSCGMH-UHFFFAOYSA-N -1 1 476.545 5.453 50 0 JKAAMM Cc1c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2oc1-c1nc(-c2ccc(F)cc2)no1 ZINC000064948580 525960994 /nfs/dbraw/zinc/96/09/94/525960994.db2.gz OEJYFCIPLYOVLU-UHFFFAOYSA-N -1 1 463.490 5.707 50 0 JKAAMM Cc1c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2oc1-c1nc(-c2ccc(C)cc2)no1 ZINC000064948571 525961368 /nfs/dbraw/zinc/96/13/68/525961368.db2.gz CZSXPSVDRZXIPD-UHFFFAOYSA-N -1 1 459.527 5.876 50 0 JKAAMM Cc1c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2oc1-c1nc(-c2ccccc2C)no1 ZINC000064948568 525961501 /nfs/dbraw/zinc/96/15/01/525961501.db2.gz DVIUKHVHPHERQN-UHFFFAOYSA-N -1 1 459.527 5.876 50 0 JKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000020491143 525987395 /nfs/dbraw/zinc/98/73/95/525987395.db2.gz DPCIHEXGFTYAAQ-CLJLJLNGSA-N -1 1 496.636 5.790 50 0 JKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000020491048 525987837 /nfs/dbraw/zinc/98/78/37/525987837.db2.gz IHMALRRARAFUIZ-DNQXCXABSA-N -1 1 468.582 5.173 50 0 JKAAMM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(-c4cccc(F)c4)cc3)cc2)c1 ZINC000033130312 526004943 /nfs/dbraw/zinc/00/49/43/526004943.db2.gz BPYBZXRVXLBCQQ-UHFFFAOYSA-N -1 1 490.556 5.232 50 0 JKAAMM Cc1ccc(C(=O)Nc2nc3cc([N-]S(=O)(=O)c4ccc(C)c(C)c4)ccc3s2)cc1 ZINC000033116492 526228751 /nfs/dbraw/zinc/22/87/51/526228751.db2.gz NZWMOFSVUZAIAE-UHFFFAOYSA-N -1 1 451.573 5.275 50 0 JKAAMM O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000033546730 526433324 /nfs/dbraw/zinc/43/33/24/526433324.db2.gz CPAPEPXHVBBRAY-AREMUKBSSA-N -1 1 471.534 5.268 50 0 JKAAMM Cc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c1NC(=O)C1CC1 ZINC000033171073 526461093 /nfs/dbraw/zinc/46/10/93/526461093.db2.gz RAQYHYMCGFNTPQ-SDQBBNPISA-N -1 1 471.966 5.265 50 0 JKAAMM Cc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)c1NC(=O)C1CC1 ZINC000033171145 526461240 /nfs/dbraw/zinc/46/12/40/526461240.db2.gz ZWJYBBYJGYGESI-WCIBSUBMSA-N -1 1 475.929 5.095 50 0 JKAAMM Cc1nc(-c2ccc(Cl)cc2)sc1-c1cc(=O)[n-]c(SCC(=O)Nc2ccccc2)n1 ZINC000033170102 526572427 /nfs/dbraw/zinc/57/24/27/526572427.db2.gz PNCAOTKBCKFWKT-UHFFFAOYSA-N -1 1 468.991 5.665 50 0 JKAAMM Cc1nc(-c2ccc(Cl)cc2)sc1-c1cc(=O)[n-]c(SCC(=O)Nc2cccc(C)c2)n1 ZINC000033170104 526572552 /nfs/dbraw/zinc/57/25/52/526572552.db2.gz ITNPXUNNQDXUNB-UHFFFAOYSA-N -1 1 483.018 5.974 50 0 JKAAMM Cc1nc(-c2ccccc2)sc1-c1cc(=O)[n-]c(SCC(=O)Nc2cc(C)ccc2C)n1 ZINC000033170092 526601092 /nfs/dbraw/zinc/60/10/92/526601092.db2.gz NBIZYDJCQMECEV-UHFFFAOYSA-N -1 1 462.600 5.629 50 0 JKAAMM Cc1nc(-c2ccccc2)sc1-c1cc(=O)[n-]c(SCC(=O)Nc2cccc(Cl)c2C)n1 ZINC000033170093 526601722 /nfs/dbraw/zinc/60/17/22/526601722.db2.gz HQKMDSNTOPIONW-UHFFFAOYSA-N -1 1 483.018 5.974 50 0 JKAAMM Cc1onc(-c2c(Cl)cccc2Cl)c1[N-]C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000008618167 526842657 /nfs/dbraw/zinc/84/26/57/526842657.db2.gz XYZXAZCDVCPHBY-UHFFFAOYSA-N -1 1 497.165 7.479 50 0 JKAAMM O=C(N[C@@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000006165989 526915482 /nfs/dbraw/zinc/91/54/82/526915482.db2.gz WZTOJEOZFCSUQF-JOCHJYFZSA-N -1 1 485.403 5.057 50 0 JKAAMM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000033289253 527247030 /nfs/dbraw/zinc/24/70/30/527247030.db2.gz DDSQWMRIIMFKLF-UHFFFAOYSA-N -1 1 458.948 5.189 50 0 JKAAMM O=S(=O)([N-]c1ccccc1)c1ccc2oc3ccc(S(=O)(=O)Nc4ccccc4)cc3c2c1 ZINC000004149929 527252813 /nfs/dbraw/zinc/25/28/13/527252813.db2.gz DRBNJVRYGUEKAH-UHFFFAOYSA-N -1 1 478.551 5.188 50 0 JKAAMM O=S(=O)([N-]c1ccccc1)c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000020523402 527253717 /nfs/dbraw/zinc/25/37/17/527253717.db2.gz TWZNFHSKIAQSAQ-UHFFFAOYSA-N -1 1 451.495 5.315 50 0 JKAAMM O=S(=O)([N-]c1ccccc1)c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000020523408 527253908 /nfs/dbraw/zinc/25/39/08/527253908.db2.gz KDTFMYNQHGBVBC-UHFFFAOYSA-N -1 1 451.495 5.315 50 0 JKAAMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1cccc(Br)c1 ZINC000002219896 527459812 /nfs/dbraw/zinc/45/98/12/527459812.db2.gz DSRPHHWEBAOTHT-UHFFFAOYSA-N -1 1 468.332 5.090 50 0 JKAAMM O=C(NCC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000033115521 527605311 /nfs/dbraw/zinc/60/53/11/527605311.db2.gz BATSGUUQXNWJNN-UHFFFAOYSA-N -1 1 494.701 6.263 50 0 JKAAMM O=C(NCCC1=CCCCC1)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421063 527623101 /nfs/dbraw/zinc/62/31/01/527623101.db2.gz WJCAHXOPCMXDRE-UHFFFAOYSA-N -1 1 480.609 5.014 50 0 JKAAMM O=C(NCCC1=CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000033130318 527625919 /nfs/dbraw/zinc/62/59/19/527625919.db2.gz DDYCHSXZABAQBH-UHFFFAOYSA-N -1 1 460.599 5.775 50 0 JKAAMM CC(C)Oc1cccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)c1 ZINC000096114623 535052540 /nfs/dbraw/zinc/05/25/40/535052540.db2.gz LRPSXAABSXIZNF-LJQANCHMSA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM CC(C)Oc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)c1 ZINC000096114623 535052552 /nfs/dbraw/zinc/05/25/52/535052552.db2.gz LRPSXAABSXIZNF-LJQANCHMSA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)c(Cl)c(Br)c1[O-] ZINC000000624375 553713089 /nfs/dbraw/zinc/71/30/89/553713089.db2.gz VPYOQIZHGGFJMT-NRFANRHFSA-N -1 1 489.753 5.596 50 0 JKAAMM COc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@H](C(C)(C)C)C4)cc1 ZINC000000645653 553726987 /nfs/dbraw/zinc/72/69/87/553726987.db2.gz ITESRFKYDPCXOY-KRWDZBQOSA-N -1 1 463.599 6.546 50 0 JKAAMM COc1ccc(Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000000667628 553743361 /nfs/dbraw/zinc/74/33/61/553743361.db2.gz QECCJPYNPKVNFA-UHFFFAOYSA-N -1 1 458.967 5.029 50 0 JKAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(Cl)cc1 ZINC000000681190 553753869 /nfs/dbraw/zinc/75/38/69/553753869.db2.gz YGYIJNMQKCDGPN-UHFFFAOYSA-N -1 1 472.975 5.095 50 0 JKAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Br)ccc1C ZINC000000687807 553758135 /nfs/dbraw/zinc/75/81/35/553758135.db2.gz BYDMMJZUAAYHLP-UHFFFAOYSA-N -1 1 459.365 5.119 50 0 JKAAMM CC1(C)Cc2oc3c(cc([N-]S(=O)(=O)c4ccc5ccccc5c4)cc3Br)c2C(=O)C1 ZINC000000752703 553777180 /nfs/dbraw/zinc/77/71/80/553777180.db2.gz ZTGAPVCZUSHPPT-UHFFFAOYSA-N -1 1 498.398 6.304 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CC(C)(C)C4)c(Br)c2)cc1 ZINC000000752702 553777198 /nfs/dbraw/zinc/77/71/98/553777198.db2.gz PTUVGLUAOIUYNA-UHFFFAOYSA-N -1 1 462.365 5.460 50 0 JKAAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccnc2)cc1 ZINC000000784907 553780698 /nfs/dbraw/zinc/78/06/98/553780698.db2.gz SNHNZCMOSVVRHT-WRONEBCDSA-N -1 1 497.551 5.505 50 0 JKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Br)o1 ZINC000000879636 553815890 /nfs/dbraw/zinc/81/58/90/553815890.db2.gz CKTQPAULRBXMIB-UHFFFAOYSA-N -1 1 490.162 5.402 50 0 JKAAMM CCCc1oc2c(cc([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1C(=O)OCC ZINC000000940624 553876387 /nfs/dbraw/zinc/87/63/87/553876387.db2.gz HGVXXDZBVVGXOX-UHFFFAOYSA-N -1 1 451.544 5.824 50 0 JKAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OCC)cc1)c1ccccc21 ZINC000000944084 553878358 /nfs/dbraw/zinc/87/83/58/553878358.db2.gz AEFNVSAINDIKCO-UHFFFAOYSA-N -1 1 453.516 5.271 50 0 JKAAMM O=S(=O)([N-]c1ccc(Oc2ccc(Br)cc2)cc1)c1ccc2ccccc2c1 ZINC000000991945 553895999 /nfs/dbraw/zinc/89/59/99/553895999.db2.gz ZQLZVSRWWPRWKL-UHFFFAOYSA-N -1 1 454.345 6.195 50 0 JKAAMM Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000001151012 553917102 /nfs/dbraw/zinc/91/71/02/553917102.db2.gz NCBPVRFLSSMLEJ-UHFFFAOYSA-N -1 1 494.560 5.687 50 0 JKAAMM COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c([O-])c2)cc1Cl ZINC000001169933 553922161 /nfs/dbraw/zinc/92/21/61/553922161.db2.gz CHHCCNRCMAFBDM-UHFFFAOYSA-N -1 1 467.934 5.298 50 0 JKAAMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)C(c1ccccc1)c1ccccc1 ZINC000002052209 554011353 /nfs/dbraw/zinc/01/13/53/554011353.db2.gz YCUTZMHHAVBBFF-UHFFFAOYSA-N -1 1 479.561 5.846 50 0 JKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1CSc1ccccc1 ZINC000002075441 554024179 /nfs/dbraw/zinc/02/41/79/554024179.db2.gz FVTGZKFQXJFETF-UHFFFAOYSA-N -1 1 482.399 6.568 50 0 JKAAMM COc1ccc2c(c1)c(C(=O)COc1cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c1)c(C)n2C ZINC000002116600 554053666 /nfs/dbraw/zinc/05/36/66/554053666.db2.gz HDARERIBHIGFQK-UHFFFAOYSA-N -1 1 469.493 5.236 50 0 biogenic JKAAMM COc1ccc2c(c1)c(C(=O)COc1cc([O-])c3c(=O)cc(-c4ccccc4)oc3c1)c(C)n2C ZINC000002116600 554053670 /nfs/dbraw/zinc/05/36/70/554053670.db2.gz HDARERIBHIGFQK-UHFFFAOYSA-N -1 1 469.493 5.236 50 0 biogenic JKAAMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc(Cl)cc1Cl ZINC000002139029 554063468 /nfs/dbraw/zinc/06/34/68/554063468.db2.gz LWAOORMGRILSLD-UHFFFAOYSA-N -1 1 458.326 5.634 50 0 JKAAMM CC(C)(C)OC(=O)N[C@@H](C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)c1ccccc1 ZINC000002139132 554063475 /nfs/dbraw/zinc/06/34/75/554063475.db2.gz MNZSDCRTAMLNQH-RUZDIDTESA-N -1 1 487.508 5.337 50 0 biogenic JKAAMM CC(C)(C)OC(=O)N[C@@H](C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)c1ccccc1 ZINC000002139132 554063479 /nfs/dbraw/zinc/06/34/79/554063479.db2.gz MNZSDCRTAMLNQH-RUZDIDTESA-N -1 1 487.508 5.337 50 0 biogenic JKAAMM CCCCn1c2ccc(Br)cc2c2cc([N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000002182690 554080924 /nfs/dbraw/zinc/08/09/24/554080924.db2.gz NXAYGFZYGZEJLQ-UHFFFAOYSA-N -1 1 457.393 6.158 50 0 JKAAMM Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2[O-])n1 ZINC000002219365 554099942 /nfs/dbraw/zinc/09/99/42/554099942.db2.gz LHURRCJAGJQNEE-UHFFFAOYSA-N -1 1 472.759 6.638 50 0 JKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccccc3)cc2[O-])nc(N)nc1C(F)(F)F ZINC000002227951 554104142 /nfs/dbraw/zinc/10/41/42/554104142.db2.gz LPGRLPLNGYHPQZ-UHFFFAOYSA-N -1 1 467.447 5.705 50 0 JKAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2[O-])cc1OC ZINC000002232665 554106133 /nfs/dbraw/zinc/10/61/33/554106133.db2.gz LZELMJJYJJMCLY-UHFFFAOYSA-N -1 1 498.366 6.001 50 0 JKAAMM O=C1[N-]C(=S)SC1=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000002262338 554122634 /nfs/dbraw/zinc/12/26/34/554122634.db2.gz VRXOTPCTGWTRDB-XQNSMLJCSA-N -1 1 473.022 7.794 50 0 JKAAMM CCCCCCc1cc2cc(-c3nnc(-c4cc5ccccc5cc4O)o3)c(=O)oc2cc1[O-] ZINC000002270831 554126845 /nfs/dbraw/zinc/12/68/45/554126845.db2.gz RKHVJECVIDNVAD-UHFFFAOYSA-N -1 1 456.498 6.197 50 0 JKAAMM CCn1c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(=O)c2ccccc21 ZINC000002291439 554135624 /nfs/dbraw/zinc/13/56/24/554135624.db2.gz QPMHGOFJMIYSIG-UHFFFAOYSA-N -1 1 455.539 5.564 50 0 JKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccc(C)cc3)cc2[O-])ncnc1C(F)(F)F ZINC000002339870 554155623 /nfs/dbraw/zinc/15/56/23/554155623.db2.gz MMWKELBDGMDHCJ-UHFFFAOYSA-N -1 1 466.459 6.431 50 0 JKAAMM Nc1ncc(Oc2ccccc2Br)c(-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])n1 ZINC000002339428 554155627 /nfs/dbraw/zinc/15/56/27/554155627.db2.gz VMVWJVVQCWNLAJ-UHFFFAOYSA-N -1 1 498.764 6.219 50 0 JKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc5c(c4)Cc4ccccc4-5)cs3)c(=O)oc2cc1[O-] ZINC000002345365 554158313 /nfs/dbraw/zinc/15/83/13/554158313.db2.gz XEHVAUNUJXZRJR-UHFFFAOYSA-N -1 1 493.628 7.983 50 0 JKAAMM CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2cccc(Cl)c2)cc1[O-] ZINC000002346924 554159613 /nfs/dbraw/zinc/15/96/13/554159613.db2.gz OWHCUWSUPLEEFL-UHFFFAOYSA-N -1 1 463.921 5.855 50 0 JKAAMM COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])cc1OC ZINC000002380735 554175316 /nfs/dbraw/zinc/17/53/16/554175316.db2.gz WIYAYEQGKVYSLC-UHFFFAOYSA-N -1 1 495.938 5.796 50 0 JKAAMM COc1ccc(-c2coc3cc(OCc4ccc(Br)cc4)cc(=O)c-3c2[O-])cc1OC ZINC000002433404 554206135 /nfs/dbraw/zinc/20/61/35/554206135.db2.gz GZZGJRLQWYMGGS-UHFFFAOYSA-N -1 1 483.314 5.524 50 0 biogenic JKAAMM COc1ccc(-c2coc3cc(OCc4ccc(Br)cc4)cc([O-])c3c2=O)cc1OC ZINC000002433404 554206137 /nfs/dbraw/zinc/20/61/37/554206137.db2.gz GZZGJRLQWYMGGS-UHFFFAOYSA-N -1 1 483.314 5.524 50 0 biogenic JKAAMM Nc1nc(-c2ccc(OCc3ccccc3)cc2[O-])c(-c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000002442220 554210444 /nfs/dbraw/zinc/21/04/44/554210444.db2.gz DXEYJJZWDPLXTP-UHFFFAOYSA-N -1 1 471.866 6.350 50 0 JKAAMM COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Cl)c(C)c1)c1ccccc21 ZINC000002483510 554226209 /nfs/dbraw/zinc/22/62/09/554226209.db2.gz VQUIRSWYUXRXJP-UHFFFAOYSA-N -1 1 487.961 5.460 50 0 JKAAMM O=C([N-]c1c2ccccc2oc1C(=O)c1ccc2c(c1)OCO2)c1ccc(Br)o1 ZINC000002694282 554291781 /nfs/dbraw/zinc/29/17/81/554291781.db2.gz GKSBCPYRHOJUKH-UHFFFAOYSA-N -1 1 454.232 5.000 50 0 JKAAMM CCOc1ccc(CCn2c(=S)[n-]nc2-c2ccc(COc3ccc(C)cc3C)o2)cc1OCC ZINC000002793622 554349173 /nfs/dbraw/zinc/34/91/73/554349173.db2.gz QUDFDTCPXFDWPW-UHFFFAOYSA-N -1 1 493.629 6.437 50 0 JKAAMM O=C([N-]c1ncn(Cc2c(F)cccc2Cl)n1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000002799809 554352723 /nfs/dbraw/zinc/35/27/23/554352723.db2.gz BCQBDRRQUWFLSU-UHFFFAOYSA-N -1 1 466.687 5.333 50 0 JKAAMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccccc2I)c1 ZINC000002844162 554374901 /nfs/dbraw/zinc/37/49/01/554374901.db2.gz JRFZIXPBIIEVJR-UHFFFAOYSA-N -1 1 488.778 5.075 50 0 JKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2C)cc1 ZINC000002874830 554397761 /nfs/dbraw/zinc/39/77/61/554397761.db2.gz FHWSPBHXXDCBJL-UHFFFAOYSA-N -1 1 462.615 5.199 50 0 JKAAMM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000002881590 554403874 /nfs/dbraw/zinc/40/38/74/554403874.db2.gz ZESZZBSVOYWAEF-UHFFFAOYSA-N -1 1 466.506 5.480 50 0 JKAAMM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1 ZINC000002887270 554406781 /nfs/dbraw/zinc/40/67/81/554406781.db2.gz QLHCXTWWCAARDY-UHFFFAOYSA-N -1 1 486.977 5.105 50 0 JKAAMM Cc1cc2nc(-c3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3[O-])oc2cc1C ZINC000002930502 554411297 /nfs/dbraw/zinc/41/12/97/554411297.db2.gz XPOTYEXJGYTIST-UHFFFAOYSA-N -1 1 457.313 6.142 50 0 JKAAMM O=C(C=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000002963075 554413285 /nfs/dbraw/zinc/41/32/85/554413285.db2.gz MQWKDISYPJVELY-VBKFSLOCSA-N -1 1 490.350 6.243 50 0 JKAAMM O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000003181685 554428625 /nfs/dbraw/zinc/42/86/25/554428625.db2.gz FRFVNXCROQQREK-UHFFFAOYSA-N -1 1 472.847 5.551 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc3cccc(NS(=O)(=O)c4ccc(C)cc4)c32)cc1 ZINC000003198432 554429957 /nfs/dbraw/zinc/42/99/57/554429957.db2.gz OZPWPUGYKKEOEE-UHFFFAOYSA-N -1 1 466.584 5.058 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000003211289 554431378 /nfs/dbraw/zinc/43/13/78/554431378.db2.gz RSGKKFSMBIITIF-UHFFFAOYSA-N -1 1 490.556 5.766 50 0 JKAAMM CCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)c2)cc1 ZINC000003236039 554435194 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KZCFFJJSTJOZNF-AWEZNQCLSA-N -1 1 468.383 5.033 50 0 JKAAMM O=C1CS[C@@H](c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)N1c1ccc(F)cc1 ZINC000035910284 569725543 /nfs/dbraw/zinc/72/55/43/569725543.db2.gz IUQGYKSOXAFRBY-VWLOTQADSA-N -1 1 478.570 5.558 50 0 JKAAMM CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000035910516 569725780 /nfs/dbraw/zinc/72/57/80/569725780.db2.gz JVEIRFRLODCONQ-XMMPIXPASA-N -1 1 470.591 5.529 50 0 JKAAMM COc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000035910981 569726248 /nfs/dbraw/zinc/72/62/48/569726248.db2.gz XCKWRCZSYNGUCF-SANMLTNESA-N -1 1 490.606 5.428 50 0 JKAAMM CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000035912458 569727498 /nfs/dbraw/zinc/72/74/98/569727498.db2.gz PGVRYBITPBONAI-HSZRJFAPSA-N -1 1 489.018 5.318 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000035912489 569727514 /nfs/dbraw/zinc/72/75/14/569727514.db2.gz NWDTWCUJKZMQDU-QHCPKHFHSA-N -1 1 473.019 5.536 50 0 JKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)c(C)c1 ZINC000035912484 569727556 /nfs/dbraw/zinc/72/75/56/569727556.db2.gz IJGYVAPVZPKNAD-HHHXNRCGSA-N -1 1 488.634 6.036 50 0 JKAAMM CCc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000035912519 569727629 /nfs/dbraw/zinc/72/76/29/569727629.db2.gz SFDXHZOOSGEEBY-MHZLTWQESA-N -1 1 488.634 5.982 50 0 JKAAMM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072994 569750229 /nfs/dbraw/zinc/75/02/29/569750229.db2.gz HRRDDIHPIPWQAV-UHFFFAOYSA-N -1 1 477.071 5.170 50 0 JKAAMM CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096114819 569733836 /nfs/dbraw/zinc/73/38/36/569733836.db2.gz GVWBPOKDVDLFLQ-GOSISDBHSA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096114819 569733837 /nfs/dbraw/zinc/73/38/37/569733837.db2.gz GVWBPOKDVDLFLQ-GOSISDBHSA-N -1 1 458.466 5.099 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1ccc(Br)cc1)CC(=O)O2 ZINC000096115826 569734911 /nfs/dbraw/zinc/73/49/11/569734911.db2.gz ZALSFTWVNAWHCI-MRXNPFEDSA-N -1 1 479.282 5.075 50 0 biogenic JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Br)cc2F)S1 ZINC000096117177 569735581 /nfs/dbraw/zinc/73/55/81/569735581.db2.gz CISDJWDCWFQQOV-BLLLJJGKSA-N -1 1 454.365 5.094 50 0 JKAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc(OCc3cccnc3)c2)S1 ZINC000096118159 569736021 /nfs/dbraw/zinc/73/60/21/569736021.db2.gz RLKLKLNZHNLLGT-UGKGYDQZSA-N -1 1 464.591 5.167 50 0 JKAAMM O=C(Cc1sc(Nc2ccc(Oc3ccccc3)cc2)nc1[O-])Nc1ccccc1Cl ZINC000096580247 569741636 /nfs/dbraw/zinc/74/16/36/569741636.db2.gz IKTVKPHNXJZKCG-FQEVSTJZSA-N -1 1 451.935 5.571 50 0 JKAAMM O=C1[N-]C(=S)SC1=Cc1cc(Cc2ccc(O)c(C=C3SC(=S)NC3=O)c2)ccc1O ZINC000096592287 569742077 /nfs/dbraw/zinc/74/20/77/569742077.db2.gz POLIJLORZAYUIL-JCDHFMOQSA-N -1 1 486.621 5.347 50 0 JKAAMM O=C(Nc1ccccc1)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000096601957 569742467 /nfs/dbraw/zinc/74/24/67/569742467.db2.gz RSHIEDYXULNZJA-UHFFFAOYSA-N -1 1 477.586 5.259 50 0 JKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(cc(C(=O)NCC(C)C)n3Cc3cccc(C)c3)c2)cc1 ZINC000036007817 569747727 /nfs/dbraw/zinc/74/77/27/569747727.db2.gz PNZWKQWMUJPCGB-UHFFFAOYSA-N -1 1 489.641 5.493 50 0 JKAAMM Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccnc2)cc1 ZINC000100426027 569760207 /nfs/dbraw/zinc/76/02/07/569760207.db2.gz AQURXAZLEXEGHY-LGGPFLRQSA-N -1 1 481.552 5.805 50 0 JKAAMM CCCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000100425556 569760230 /nfs/dbraw/zinc/76/02/30/569760230.db2.gz XZYMGZZGAZFIOJ-MUUNZHRXSA-N -1 1 490.600 6.523 50 0 JKAAMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1O ZINC000100572976 569764967 /nfs/dbraw/zinc/76/49/67/569764967.db2.gz WODVOZFSTVXAET-UHFFFAOYSA-N -1 1 496.567 5.371 50 0 JKAAMM O=C(Nc1ccc(-c2nc3cnccc3o2)c([O-])c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000036354174 569771584 /nfs/dbraw/zinc/77/15/84/569771584.db2.gz YODFOWMSZKHSLJ-UHFFFAOYSA-N -1 1 466.280 6.415 50 0 JKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000036358932 569772201 /nfs/dbraw/zinc/77/22/01/569772201.db2.gz NCRAABKLKUBJMS-UHFFFAOYSA-N -1 1 466.280 6.415 50 0 JKAAMM Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000100880471 569774086 /nfs/dbraw/zinc/77/40/86/569774086.db2.gz SCDMWIVARPGQQM-BDTNDASRSA-N -1 1 497.776 5.462 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101180614 569786319 /nfs/dbraw/zinc/78/63/19/569786319.db2.gz XYZIWRRLWQCUOS-PFBJBMPXSA-N -1 1 486.568 5.098 50 0 JKAAMM Cc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3[O-])=Nc3ccccc3S2)s1 ZINC000101494737 569799794 /nfs/dbraw/zinc/79/97/94/569799794.db2.gz GZRYPMJMDOUUAX-FQEVSTJZSA-N -1 1 496.013 5.613 50 0 JKAAMM Cc1ccsc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c2[O-])=Nc2ccccc2S1 ZINC000101494819 569800066 /nfs/dbraw/zinc/80/00/66/569800066.db2.gz TYMHARCVTGXEMT-IBGZPJMESA-N -1 1 496.013 5.613 50 0 JKAAMM O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C1=Nc2ccccc2S[C@H](c2ccccc2)C1 ZINC000101495082 569800186 /nfs/dbraw/zinc/80/01/86/569800186.db2.gz PTUINWDCJLRVGI-NRFANRHFSA-N -1 1 475.957 5.243 50 0 JKAAMM COc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2[O-])=Nc2ccccc2S1 ZINC000101495516 569800369 /nfs/dbraw/zinc/80/03/69/569800369.db2.gz BHQSEACHWCSXQY-XMMPIXPASA-N -1 1 499.592 5.215 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)c(OC)c3)C2)c(=O)[nH]c1=S ZINC000101495296 569800375 /nfs/dbraw/zinc/80/03/75/569800375.db2.gz ASRHSALUORRANN-FQEVSTJZSA-N -1 1 483.615 5.484 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c(=O)[nH]c1=S ZINC000101495470 569800468 /nfs/dbraw/zinc/80/04/68/569800468.db2.gz JMGPOMKVNAUASZ-HXUWFJFHSA-N -1 1 481.599 5.498 50 0 JKAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)c1=O ZINC000101495594 569800599 /nfs/dbraw/zinc/80/05/99/569800599.db2.gz ISOVKPAUUCTNAS-LJQANCHMSA-N -1 1 455.967 5.054 50 0 JKAAMM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3OC)C2)c(=O)[nH]c1=S ZINC000101495665 569800646 /nfs/dbraw/zinc/80/06/46/569800646.db2.gz QZFLKVJJMVSHTF-FQEVSTJZSA-N -1 1 467.616 5.778 50 0 JKAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=Nc2ccccc2S[C@H](c2cccs2)C1 ZINC000101495657 569800740 /nfs/dbraw/zinc/80/07/40/569800740.db2.gz ZDQCGHNVVRNFRT-IBGZPJMESA-N -1 1 481.986 5.304 50 0 JKAAMM CCOc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)=Nc2ccccc2S1 ZINC000101766662 569804717 /nfs/dbraw/zinc/80/47/17/569804717.db2.gz MNBPFPXTEPNHPA-QHCPKHFHSA-N -1 1 491.613 5.504 50 0 JKAAMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000040040066 569814623 /nfs/dbraw/zinc/81/46/23/569814623.db2.gz CXLRRPIVYCWIRY-UHFFFAOYSA-N -1 1 469.459 5.938 50 0 JKAAMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)c(C)c1C ZINC000040115221 569816300 /nfs/dbraw/zinc/81/63/00/569816300.db2.gz UUYLDRIMRYFSEU-FQEVSTJZSA-N -1 1 484.540 5.166 50 0 JKAAMM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000102727705 569817864 /nfs/dbraw/zinc/81/78/64/569817864.db2.gz MCHXRCKPXYDWTL-WXFUMESZSA-N -1 1 469.928 5.248 50 0 JKAAMM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cn(C)c3ccccc23)cc1 ZINC000102730728 569818026 /nfs/dbraw/zinc/81/80/26/569818026.db2.gz DEHFZJUHONNBRJ-GMQQYTKMSA-N -1 1 481.552 5.018 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102759286 569821596 /nfs/dbraw/zinc/82/15/96/569821596.db2.gz XYZIWRRLWQCUOS-ZONZVBGPSA-N -1 1 486.568 5.098 50 0 JKAAMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)cc1OC ZINC000040157753 569821810 /nfs/dbraw/zinc/82/18/10/569821810.db2.gz HWYRMBOSUIHOJD-UHFFFAOYSA-N -1 1 486.546 5.111 50 0 JKAAMM COC(=O)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102861133 569824782 /nfs/dbraw/zinc/82/47/82/569824782.db2.gz UZIPHRBUNIWBGW-RUZDIDTESA-N -1 1 476.529 5.131 50 0 JKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1C ZINC000103085809 569832687 /nfs/dbraw/zinc/83/26/87/569832687.db2.gz JICUVDSBLHBRDG-UHFFFAOYSA-N -1 1 480.568 5.583 50 0 JKAAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1cccs1 ZINC000104082691 569840534 /nfs/dbraw/zinc/84/05/34/569840534.db2.gz JOISOZCMNGDPJM-XGCWNURASA-N -1 1 490.556 6.302 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCCC4=CCCCC4)C2)nc3=O)cc1 ZINC000049421268 569847090 /nfs/dbraw/zinc/84/70/90/569847090.db2.gz HEFGPHFARXBGRD-NRFANRHFSA-N -1 1 476.646 5.183 50 0 JKAAMM CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nc(=O)c4scc(-c5ccc(C)cc5)c4[n-]3)C2)cc1 ZINC000049421276 569847143 /nfs/dbraw/zinc/84/71/43/569847143.db2.gz OIIULFAVYYWQPJ-JOCHJYFZSA-N -1 1 486.641 5.055 50 0 JKAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NCc4cccc(Cl)c4)C2)nc3=O)cc1 ZINC000049421290 569847145 /nfs/dbraw/zinc/84/71/45/569847145.db2.gz QVFHDKFNEYURGG-IBGZPJMESA-N -1 1 493.032 5.146 50 0 JKAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NC4CCCCCCC4)C2)nc3=O)c1 ZINC000049421342 569847213 /nfs/dbraw/zinc/84/72/13/569847213.db2.gz TXDWRJBOZBXMPQ-IBGZPJMESA-N -1 1 494.661 5.106 50 0 JKAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)N[C@@H](C)c4ccccc4)CC2)nc3=O)c1 ZINC000049421387 569847305 /nfs/dbraw/zinc/84/73/05/569847305.db2.gz WJSBBDRCMMPKMF-SFHVURJKSA-N -1 1 472.614 5.054 50 0 JKAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)NC3CCCCCCC3)C1)nc2=O ZINC000049421429 569847396 /nfs/dbraw/zinc/84/73/96/569847396.db2.gz XEYYGACIGYLNMB-IBGZPJMESA-N -1 1 478.662 5.406 50 0 JKAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)NCCC3=CCCCC3)C1)nc2=O ZINC000049421431 569847461 /nfs/dbraw/zinc/84/74/61/569847461.db2.gz TWCHCCHDGNPMHW-FQEVSTJZSA-N -1 1 476.646 5.183 50 0 JKAAMM O=C(c1cccs1)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1cccs1 ZINC000049545542 569848657 /nfs/dbraw/zinc/84/86/57/569848657.db2.gz RFVKIIXNGLQSCP-OAQYLSRUSA-N -1 1 493.635 5.602 50 0 JKAAMM CCOc1ccc2nc(NC(=O)c3cc4ccc([O-])cc4o/c3=N\c3ccc(C)cc3C)sc2c1 ZINC000050005055 569850358 /nfs/dbraw/zinc/85/03/58/569850358.db2.gz GZSPUHDYDQDZDD-SGEDCAFJSA-N -1 1 485.565 6.248 50 0 JKAAMM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C(=O)C=C([O-])c3ccc(Cl)cc3)c(O)cc12 ZINC000136474764 569864586 /nfs/dbraw/zinc/86/45/86/569864586.db2.gz ITDVJNNRSMWDEH-UHFFFAOYSA-N -1 1 459.929 6.265 50 0 JKAAMM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000137839955 569865251 /nfs/dbraw/zinc/86/52/51/569865251.db2.gz RWOJXXMELXBCQV-OYUWMTPXSA-N -1 1 486.568 5.234 50 0 JKAAMM O=C1N[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169689180 569871350 /nfs/dbraw/zinc/87/13/50/569871350.db2.gz YNUDWGNMYMRHDI-UEXGIBASSA-N -1 1 499.272 5.357 50 0 JKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000226826904 570038763 /nfs/dbraw/zinc/03/87/63/570038763.db2.gz GXPWKMBLSASAPE-OYUWMTPXSA-N -1 1 486.568 5.234 50 0 JKAAMM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1 ZINC000239403174 570051569 /nfs/dbraw/zinc/05/15/69/570051569.db2.gz ROOIBETVYZGEJE-ZONZVBGPSA-N -1 1 464.521 5.290 50 0 JKAAMM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245311369 570063605 /nfs/dbraw/zinc/06/36/05/570063605.db2.gz ODIDMQZZPSHRFJ-XZSZPMDUSA-N -1 1 496.632 5.645 50 0 JKAAMM O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000252499413 570082305 /nfs/dbraw/zinc/08/23/05/570082305.db2.gz SAGPKTALEIWXMK-OAQYLSRUSA-N -1 1 493.635 5.602 50 0 JKAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)c(OC)c1 ZINC000253412485 570097959 /nfs/dbraw/zinc/09/79/59/570097959.db2.gz RDPNSBJNNTYUMS-QGZVFWFLSA-N -1 1 478.884 5.277 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000253413184 570098209 /nfs/dbraw/zinc/09/82/09/570098209.db2.gz UBTDYWNWIBWLHO-INIZCTEOSA-N -1 1 486.863 5.366 50 0 biogenic JKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc5ncccc5c3)CC(=O)O4)c2=O)cc1OC ZINC000263585540 570171213 /nfs/dbraw/zinc/17/12/13/570171213.db2.gz JVTQXRAZPBJQKO-GOSISDBHSA-N -1 1 495.487 5.172 50 0 biogenic JKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc3ncccc3c2)cc1OC ZINC000263585540 570171214 /nfs/dbraw/zinc/17/12/14/570171214.db2.gz JVTQXRAZPBJQKO-GOSISDBHSA-N -1 1 495.487 5.172 50 0 biogenic JKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](c1cccnc1Cl)CC(=O)O2 ZINC000263588183 570172407 /nfs/dbraw/zinc/17/24/07/570172407.db2.gz QDIVASKULICKTG-AWEZNQCLSA-N -1 1 454.265 5.308 50 0 JKAAMM