smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102483732 130136837 /nfs/dbraw/zinc/13/68/37/130136837.db2.gz MNZLJBHGKPPVHX-LFVOPCPISA-N 0 1 470.934 4.754 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102483297 130136888 /nfs/dbraw/zinc/13/68/88/130136888.db2.gz NFCPZANCSWHEHJ-ZHHPLPSFSA-N 0 1 479.964 4.837 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102491330 130145384 /nfs/dbraw/zinc/14/53/84/130145384.db2.gz MJMGWGQQRRHUSB-SBXHHDGASA-N 0 1 458.514 4.501 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000102498072 130152109 /nfs/dbraw/zinc/15/21/09/130152109.db2.gz GCUQEGUHLNWJFE-LFVOPCPISA-N 0 1 450.447 4.663 50 30 JJEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(C)cc3)oc21 ZINC000102523451 130175527 /nfs/dbraw/zinc/17/55/27/130175527.db2.gz HHMUXOMMWZCQHL-AYWGPLOBSA-N 0 1 454.482 4.767 50 30 JJEAMN O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1 ZINC000102549206 130202381 /nfs/dbraw/zinc/20/23/81/130202381.db2.gz XBTFJFSMKKGYGC-CZNAVJSXSA-N 0 1 477.520 4.678 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102641556 130229016 /nfs/dbraw/zinc/22/90/16/130229016.db2.gz OASQPLKHQBJACQ-OTQMSCLFSA-N 0 1 457.501 4.814 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102646753 130230168 /nfs/dbraw/zinc/23/01/68/130230168.db2.gz FYQWNIMULKKARD-KXCNXCNDSA-N 0 1 453.538 4.983 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102662434 130234787 /nfs/dbraw/zinc/23/47/87/130234787.db2.gz WWYCQIHGVSPWJE-LNMXKIQISA-N 0 1 497.370 4.855 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102681987 130236858 /nfs/dbraw/zinc/23/68/58/130236858.db2.gz FFHIEUJJQVUSNH-QPAAHAPSSA-N 0 1 452.919 4.746 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102713072 130259492 /nfs/dbraw/zinc/25/94/92/130259492.db2.gz JTPGOKZVMMCPMD-IUKMQXEJSA-N 0 1 497.588 4.649 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000102715489 130261576 /nfs/dbraw/zinc/26/15/76/130261576.db2.gz FDMVKZRIJKTVHE-CZNAVJSXSA-N 0 1 488.559 4.696 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102735169 130279805 /nfs/dbraw/zinc/27/98/05/130279805.db2.gz CPBJEEVCZKVDDL-YMMFOPJESA-N 0 1 470.481 4.540 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102798432 130306479 /nfs/dbraw/zinc/30/64/79/130306479.db2.gz GGMJYHRCWMBMBX-SELCWUDQSA-N 0 1 482.945 4.908 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000102876810 130349395 /nfs/dbraw/zinc/34/93/95/130349395.db2.gz LUNXNJZYRDOUSA-NPJIAGGLSA-N 0 1 472.541 4.844 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccs2)cc1 ZINC000102881882 130359515 /nfs/dbraw/zinc/35/95/15/130359515.db2.gz BKKSZKCUCYDCOC-SELCWUDQSA-N 0 1 498.582 4.715 50 30 JJEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102888137 130369590 /nfs/dbraw/zinc/36/95/90/130369590.db2.gz DDXKXMSVFWBTRH-MRJHHRETSA-N 0 1 453.878 4.572 50 30 JJEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102889251 130370471 /nfs/dbraw/zinc/37/04/71/130370471.db2.gz YSWDHMKQGKVUSG-NPJIAGGLSA-N 0 1 455.510 4.642 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000102926475 130398046 /nfs/dbraw/zinc/39/80/46/130398046.db2.gz KLFDLJOKNIHHKS-MWCANZRFSA-N 0 1 455.510 4.641 50 30 JJEAMN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036305012 518300331 /nfs/dbraw/zinc/30/03/31/518300331.db2.gz SVIKMNLXHIGXAY-NRFANRHFSA-N 0 1 465.981 4.508 50 30 JJEAMN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036304935 518302361 /nfs/dbraw/zinc/30/23/61/518302361.db2.gz DAVCVTCWLMFZMP-VWLOTQADSA-N 0 1 459.590 4.504 50 30 JJEAMN C=CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000009427239 518972446 /nfs/dbraw/zinc/97/24/46/518972446.db2.gz YWTXQSDETKODIG-OAQYLSRUSA-N 0 1 477.546 4.805 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000006144023 518979626 /nfs/dbraw/zinc/97/96/26/518979626.db2.gz OWICAQQSQXANNF-LJQANCHMSA-N 0 1 496.491 4.855 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000036306841 518986792 /nfs/dbraw/zinc/98/67/92/518986792.db2.gz VOBLLEBQDQYVLJ-XZOQPEGZSA-N 0 1 495.595 4.563 50 30 JJEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036304563 518991604 /nfs/dbraw/zinc/99/16/04/518991604.db2.gz UITKBEOPXAIZRU-HSZRJFAPSA-N 0 1 465.594 4.757 50 30 JJEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009135591 519047666 /nfs/dbraw/zinc/04/76/66/519047666.db2.gz WTVFEBCUBVLXKU-SBXHHDGASA-N 0 1 497.035 4.782 50 30 JJEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000016741789 519050461 /nfs/dbraw/zinc/05/04/61/519050461.db2.gz WPSDHXZJBOIPMX-YKSBVNFPSA-N 0 1 477.557 4.513 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000009455301 519061006 /nfs/dbraw/zinc/06/10/06/519061006.db2.gz QAKCBJDSZFJLSF-AREMUKBSSA-N 0 1 483.520 4.801 50 30 JJEAMN C=CCOc1ccccc1C=C1C(=O)NC(=O)N(Cc2ccc(OCCC)c(OC)c2)C1=O ZINC000033349067 519066204 /nfs/dbraw/zinc/06/62/04/519066204.db2.gz YLMUGUJOVRKNNV-CYVLTUHYSA-N 0 1 450.491 4.551 50 30 JJEAMN C=CCSc1nnc2c(n1)O[C@@H](C(=O)c1ccccc1OC)Nc1ccc(Br)cc1-2 ZINC000003461564 519092684 /nfs/dbraw/zinc/09/26/84/519092684.db2.gz SHZZFQBLTMXPAI-FQEVSTJZSA-N 0 1 485.363 4.601 50 30 JJEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009329056 520258787 /nfs/dbraw/zinc/25/87/87/520258787.db2.gz HYNKXEUWXFFNCU-KXCNXCNDSA-N 0 1 492.616 4.562 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009271575 520328008 /nfs/dbraw/zinc/32/80/08/520328008.db2.gz UAQVEAZHWFVFBM-RUZDIDTESA-N 0 1 489.572 4.739 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000016156148 520330796 /nfs/dbraw/zinc/33/07/96/520330796.db2.gz CETZUEYNDSXHNI-XMMPIXPASA-N 0 1 487.512 4.866 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000016731219 520431727 /nfs/dbraw/zinc/43/17/27/520431727.db2.gz NHPUDFRBIYEIQD-DEOSSOPVSA-N 0 1 476.504 4.797 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009292598 520468948 /nfs/dbraw/zinc/46/89/48/520468948.db2.gz XCFITRNXDWEDBL-DWXRJYCRSA-N 0 1 484.552 4.972 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCCOC)ccc1O ZINC000009272266 520775451 /nfs/dbraw/zinc/77/54/51/520775451.db2.gz MDBJEYIGGSHTSB-RUZDIDTESA-N 0 1 497.588 4.749 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000016700984 520860854 /nfs/dbraw/zinc/86/08/54/520860854.db2.gz GTJQHMUHVRAFDN-DEOSSOPVSA-N 0 1 483.561 4.503 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(CC)cc2)cc1Cl ZINC000016733212 520876140 /nfs/dbraw/zinc/87/61/40/520876140.db2.gz MCBHVVFJASWWAR-JOCHJYFZSA-N 0 1 457.954 4.916 50 30 JJEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009360755 520896413 /nfs/dbraw/zinc/89/64/13/520896413.db2.gz NVAQNDSXLYTWLI-NRFANRHFSA-N 0 1 452.463 4.546 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2nnc(C(C)C)s2)cc1 ZINC000016742129 521237864 /nfs/dbraw/zinc/23/78/64/521237864.db2.gz MGUHXSGGBUEODS-QGZVFWFLSA-N 0 1 484.603 4.916 50 30 JJEAMN CCCCc1ccc(CC2S/C(=N/N=C/c3ccc(OC(C)C)c(OC)c3)NC2=O)cc1 ZINC000011690595 521275247 /nfs/dbraw/zinc/27/52/47/521275247.db2.gz DHORUHHAEAMLCS-VUEBRRCKSA-N 0 1 453.608 4.989 50 30 JJEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009375194 521300281 /nfs/dbraw/zinc/30/02/81/521300281.db2.gz JYQWWPMWGVJCLJ-FQEVSTJZSA-N 0 1 491.481 4.979 50 30 JJEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000015837069 521424214 /nfs/dbraw/zinc/42/42/14/521424214.db2.gz BDAXWNHGIAPYRL-NSYGIPOTSA-N 0 1 470.525 4.582 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)nc1C ZINC000009160683 522418692 /nfs/dbraw/zinc/41/86/92/522418692.db2.gz AHNIQECDAJRIDH-FQEVSTJZSA-N 0 1 492.553 4.808 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000009185625 522419169 /nfs/dbraw/zinc/41/91/69/522419169.db2.gz MQQFGGUHLGFZMX-SFHVURJKSA-N 0 1 482.945 4.983 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000009185626 522419951 /nfs/dbraw/zinc/41/99/51/522419951.db2.gz MQQFGGUHLGFZMX-GOSISDBHSA-N 0 1 482.945 4.983 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccccc2)nc1C ZINC000009302087 522422749 /nfs/dbraw/zinc/42/27/49/522422749.db2.gz WQYLSTSZJDQBMX-GOSISDBHSA-N 0 1 498.944 4.683 50 30 JJEAMN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000016293987 522955373 /nfs/dbraw/zinc/95/53/73/522955373.db2.gz IDXCAPLAYWCKBN-QFIPXVFZSA-N 0 1 477.517 4.552 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(Br)c1 ZINC000009349883 523276563 /nfs/dbraw/zinc/27/65/63/523276563.db2.gz KMSUVTSOLWXLHD-OAQYLSRUSA-N 0 1 488.378 4.851 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(O)cc1 ZINC000009379938 523281904 /nfs/dbraw/zinc/28/19/04/523281904.db2.gz FWRDIDSYQFGLTK-AREMUKBSSA-N 0 1 487.552 4.894 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000016806153 523282197 /nfs/dbraw/zinc/28/21/97/523282197.db2.gz ZFDRTVVVBNRQFQ-OSPHWJPCSA-N 0 1 463.574 4.922 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 ZINC000009350870 523283149 /nfs/dbraw/zinc/28/31/49/523283149.db2.gz CFCSMXADTDSIGU-RUZDIDTESA-N 0 1 473.525 4.586 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000016805199 523562673 /nfs/dbraw/zinc/56/26/73/523562673.db2.gz QZMRWZQBDFASHA-NRFANRHFSA-N 0 1 452.869 4.661 50 30 JJEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nc(C)c(C)s4)[C@@H]3c3ccco3)oc21 ZINC000001052676 524258280 /nfs/dbraw/zinc/25/82/80/524258280.db2.gz WBZXYKBWZYFIBA-GOSISDBHSA-N 0 1 450.472 4.891 50 30 JJEAMN Cc1cccc(N2CCN(c3nc4ccccc4nc3C(C#N)C(=O)NC3CCCCC3)CC2)c1C ZINC000009075890 524563184 /nfs/dbraw/zinc/56/31/84/524563184.db2.gz MICXSTBCQNYEHS-QHCPKHFHSA-N 0 1 482.632 4.629 50 30 JJEAMN Cc1cccc(N2CCN(c3nc4ccccc4nc3C(C#N)S(=O)(=O)c3ccccc3)CC2)c1C ZINC000009240677 524563298 /nfs/dbraw/zinc/56/32/98/524563298.db2.gz LONRXGWKKRTBEW-SANMLTNESA-N 0 1 497.624 4.612 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000009313102 524977937 /nfs/dbraw/zinc/97/79/37/524977937.db2.gz WFPOJSMOTTYAQH-GKVSMKOHSA-N 0 1 455.510 4.537 50 30 biogenic JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009292668 525222133 /nfs/dbraw/zinc/22/21/33/525222133.db2.gz DHOGDKJYUDMSDI-WXTAPIANSA-N 0 1 469.537 4.840 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009292669 525222936 /nfs/dbraw/zinc/22/29/36/525222936.db2.gz DHOGDKJYUDMSDI-HFJWLAOPSA-N 0 1 469.537 4.840 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009339649 525224651 /nfs/dbraw/zinc/22/46/51/525224651.db2.gz NQSPGYOTOKPYAE-LJQANCHMSA-N 0 1 450.447 4.820 50 30 JJEAMN Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2 ZINC000020647197 525313462 /nfs/dbraw/zinc/31/34/62/525313462.db2.gz ZLCBMNOKJIMTKE-MTJSOVHGSA-N 0 1 483.362 4.573 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009359262 525389306 /nfs/dbraw/zinc/38/93/06/525389306.db2.gz GGHSFUMKHOQUKC-VWLOTQADSA-N 0 1 488.540 4.665 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009292670 525390133 /nfs/dbraw/zinc/39/01/33/525390133.db2.gz DHOGDKJYUDMSDI-DWXRJYCRSA-N 0 1 469.537 4.840 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009312210 525516363 /nfs/dbraw/zinc/51/63/63/525516363.db2.gz ZXROLLMNOPGWIP-WAIKUNEKSA-N 0 1 477.948 4.529 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3cccc4ccccc43)ccc2O1 ZINC000016749939 525517696 /nfs/dbraw/zinc/51/76/96/525517696.db2.gz NCAFNGXNIJVUQO-FQHLQPMKSA-N 0 1 469.537 4.921 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000009311933 525518901 /nfs/dbraw/zinc/51/89/01/525518901.db2.gz ZYMDKEKLBJQZDW-CRICUBBOSA-N 0 1 457.501 4.970 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000009244165 526269093 /nfs/dbraw/zinc/26/90/93/526269093.db2.gz MNTITGQETRPERB-LJQANCHMSA-N 0 1 480.274 4.535 50 30 JJEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Br)cc1 ZINC000009435218 526269263 /nfs/dbraw/zinc/26/92/63/526269263.db2.gz UMXALKDQLXJZQJ-IBGZPJMESA-N 0 1 483.274 4.729 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(Cl)cc2)s1 ZINC000009540879 526354024 /nfs/dbraw/zinc/35/40/24/526354024.db2.gz MSCSBPIMAHXJBR-NSPYISDASA-N 0 1 467.934 4.606 50 30 JJEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009282419 527175806 /nfs/dbraw/zinc/17/58/06/527175806.db2.gz NPKFBXJOMMAOGL-RUZDIDTESA-N 0 1 483.572 4.631 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000096304922 535255100 /nfs/dbraw/zinc/25/51/00/535255100.db2.gz KCKBJVLFAAYBCB-QHCPKHFHSA-N 0 1 479.964 4.994 50 30 JJEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102925694 535442820 /nfs/dbraw/zinc/44/28/20/535442820.db2.gz HSIZTQNMGINMBY-MRJHHRETSA-N 0 1 476.510 4.923 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000000702732 553761719 /nfs/dbraw/zinc/76/17/19/553761719.db2.gz CXLQLYHHHBMHMZ-PZJWPPBQSA-N 0 1 486.362 4.605 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 ZINC000001121660 553912150 /nfs/dbraw/zinc/91/21/50/553912150.db2.gz GGMWQAKZAWTBLR-LJQANCHMSA-N 0 1 454.276 4.526 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000001136972 553915234 /nfs/dbraw/zinc/91/52/34/553915234.db2.gz HZNDGVUCWRYBJJ-XMMPIXPASA-N 0 1 471.509 4.650 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001186072 553930659 /nfs/dbraw/zinc/93/06/59/553930659.db2.gz RZSLDOCKYHEUIR-USXRGHEGSA-N 0 1 456.454 4.786 50 30 JJEAMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000001413335 553967649 /nfs/dbraw/zinc/96/76/49/553967649.db2.gz CKPODIRSIBBIDZ-QFIPXVFZSA-N 0 1 467.518 4.725 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413457 553967836 /nfs/dbraw/zinc/96/78/36/553967836.db2.gz FOJQGCCYMZVNCF-RUZDIDTESA-N 0 1 498.510 4.915 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)c1 ZINC000001451147 553973770 /nfs/dbraw/zinc/97/37/70/553973770.db2.gz QTUHUHXIBKQTNN-IBGZPJMESA-N 0 1 469.291 4.537 50 30 JJEAMN C=CCOc1ccccc1C=C1C(=O)NC(=O)N(Cc2ccc(OCCC)c(OC)c2)C1=O ZINC000002144409 554065312 /nfs/dbraw/zinc/06/53/12/554065312.db2.gz YLMUGUJOVRKNNV-XDJHFCHBSA-N 0 1 450.491 4.551 50 30 JJEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(C)=O ZINC000002311776 554143820 /nfs/dbraw/zinc/14/38/20/554143820.db2.gz WNOZCQUVMGXGOP-ZMOGYAJESA-N 0 1 454.552 4.730 50 30 JJEAMN Oc1c(Br)cc(Br)cc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000002324944 554148878 /nfs/dbraw/zinc/14/88/78/554148878.db2.gz HUQDYMVLEDLWCK-SSDVNMTOSA-N 0 1 487.623 4.722 50 30 JJEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(C)s4)[C@H]3c3ccc(F)cc3)oc21 ZINC000002620764 554245363 /nfs/dbraw/zinc/24/53/63/554245363.db2.gz MOYSEVHTCTWWDH-SFHVURJKSA-N 0 1 465.462 4.523 50 30 JJEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000008441495 554591499 /nfs/dbraw/zinc/59/14/99/554591499.db2.gz HTEJYTUFZSNRAA-BUHFOSPRSA-N 0 1 458.543 4.856 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000008779882 554677320 /nfs/dbraw/zinc/67/73/20/554677320.db2.gz ASTCJWOMLHVLMP-DEOSSOPVSA-N 0 1 458.514 4.658 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000008837755 554738831 /nfs/dbraw/zinc/73/88/31/554738831.db2.gz AKCIPJYGANWZPF-OAQYLSRUSA-N 0 1 476.510 4.998 50 30 JJEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)cc1OCC ZINC000008845443 554742608 /nfs/dbraw/zinc/74/26/08/554742608.db2.gz LFSFELTYZMPTPM-AREMUKBSSA-N 0 1 477.561 4.718 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1OC ZINC000008856322 554752305 /nfs/dbraw/zinc/75/23/05/554752305.db2.gz FNAJBFCLOFPYDC-SFHVURJKSA-N 0 1 456.907 4.597 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008857980 554754568 /nfs/dbraw/zinc/75/45/68/554754568.db2.gz YSHZJKZADZAFIT-HSZRJFAPSA-N 0 1 473.485 4.557 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008893729 554782622 /nfs/dbraw/zinc/78/26/22/554782622.db2.gz HXZUFYLFDHFYES-NRFANRHFSA-N 0 1 450.878 4.984 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000008899896 554791417 /nfs/dbraw/zinc/79/14/17/554791417.db2.gz LTQGIKPUIXDDMI-HSZRJFAPSA-N 0 1 470.997 4.967 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000008899896 554791420 /nfs/dbraw/zinc/79/14/20/554791420.db2.gz LTQGIKPUIXDDMI-HSZRJFAPSA-N 0 1 470.997 4.967 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008901747 554795317 /nfs/dbraw/zinc/79/53/17/554795317.db2.gz MGXPKRNPZLGJDP-NRFANRHFSA-N 0 1 492.509 4.698 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)nc1C ZINC000008926637 554823641 /nfs/dbraw/zinc/82/36/41/554823641.db2.gz GDSNPDZDWSJHLR-INIZCTEOSA-N 0 1 472.519 4.612 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1C ZINC000008926875 554824236 /nfs/dbraw/zinc/82/42/36/554824236.db2.gz VUGONCWUATXZTI-XMMPIXPASA-N 0 1 457.530 4.742 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000008996637 554857737 /nfs/dbraw/zinc/85/77/37/554857737.db2.gz YKHUBZGVDUFCHV-HXUWFJFHSA-N 0 1 483.318 4.927 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008996867 554858304 /nfs/dbraw/zinc/85/83/04/554858304.db2.gz QPTNKXOZFAJOCA-JOCHJYFZSA-N 0 1 480.904 4.993 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009007884 554861524 /nfs/dbraw/zinc/86/15/24/554861524.db2.gz AJJNXRCXSFFKJD-HXUWFJFHSA-N 0 1 462.483 4.689 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000013570601 555508849 /nfs/dbraw/zinc/50/88/49/555508849.db2.gz XUOCSQCGZNHWAW-JOCHJYFZSA-N 0 1 497.334 4.938 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000013618187 555537271 /nfs/dbraw/zinc/53/72/71/555537271.db2.gz XAHLRMJHSDZGIQ-SANMLTNESA-N 0 1 486.568 4.936 50 30 JJEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2nc(C)c(C)s2)[C@H]1c1cccnc1 ZINC000013722142 555597807 /nfs/dbraw/zinc/59/78/07/555597807.db2.gz QMACMAMJTNLBJI-SFHVURJKSA-N 0 1 455.923 4.600 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020079769 555628772 /nfs/dbraw/zinc/62/87/72/555628772.db2.gz BDUJSDMXAHSULA-VWLOTQADSA-N 0 1 480.605 4.568 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020079769 555628774 /nfs/dbraw/zinc/62/87/74/555628774.db2.gz BDUJSDMXAHSULA-VWLOTQADSA-N 0 1 480.605 4.568 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000020135241 555659667 /nfs/dbraw/zinc/65/96/67/555659667.db2.gz IUNOJBNQCMHNKN-NRFANRHFSA-N 0 1 475.372 4.698 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000020135241 555659672 /nfs/dbraw/zinc/65/96/72/555659672.db2.gz IUNOJBNQCMHNKN-NRFANRHFSA-N 0 1 475.372 4.698 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020310736 555769520 /nfs/dbraw/zinc/76/95/20/555769520.db2.gz CTQVEYHJNVEXMD-VWLOTQADSA-N 0 1 480.605 4.800 50 30 JJEAMN COc1ccc(/C=C2\Oc3cc(OCCN4CCN(Cc5ccccc5)CC4)ccc3C2=O)cc1 ZINC000022854522 555960854 /nfs/dbraw/zinc/96/08/54/555960854.db2.gz HCVKBGRIJKPBLW-USHMODERSA-N 0 1 470.569 4.508 50 30 JJEAMN N#CCCCN1CCN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)CC1 ZINC000023426173 556053576 /nfs/dbraw/zinc/05/35/76/556053576.db2.gz KBFVGCSCDIQTBC-UHFFFAOYSA-N 0 1 467.495 4.824 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000017044979 556210750 /nfs/dbraw/zinc/21/07/50/556210750.db2.gz BLHDCBGYGHBCIM-RUZDIDTESA-N 0 1 488.540 4.666 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000017137842 556224121 /nfs/dbraw/zinc/22/41/21/556224121.db2.gz HLZCWSJKQXBUKX-RUZDIDTESA-N 0 1 497.588 4.662 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000013118819 556331383 /nfs/dbraw/zinc/33/13/83/556331383.db2.gz JDBRXFJMLYAODI-LJQANCHMSA-N 0 1 480.274 4.535 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000008441455 569590378 /nfs/dbraw/zinc/59/03/78/569590378.db2.gz SGCUAWMMHUEDKY-QOKIKDITSA-N 0 1 477.557 4.556 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000008441462 569590420 /nfs/dbraw/zinc/59/04/20/569590420.db2.gz SGCUAWMMHUEDKY-CBCWYDDASA-N 0 1 477.557 4.556 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1Cl ZINC000096101689 569732669 /nfs/dbraw/zinc/73/26/69/569732669.db2.gz KVMCYYGCPFWBLI-QFIPXVFZSA-N 0 1 465.937 4.604 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000096793156 569743080 /nfs/dbraw/zinc/74/30/80/569743080.db2.gz JXOKECBCHXSVEU-HSZRJFAPSA-N 0 1 495.963 4.612 50 30 JJEAMN CCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)S/C1=N/c1ccc(OCC)cc1 ZINC000097464846 569745108 /nfs/dbraw/zinc/74/51/08/569745108.db2.gz XLYSTHUOZSBKMB-POJNRUHKSA-N 0 1 457.508 4.722 50 30 JJEAMN CCC(=O)N1CCN(c2ccc(/N=C/c3cc(Cl)cc(Br)c3O)cc2)CC1 ZINC000100025071 569751379 /nfs/dbraw/zinc/75/13/79/569751379.db2.gz ODPBMHXHDLXWBL-YDZHTSKRSA-N 0 1 450.764 4.617 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000100446439 569761426 /nfs/dbraw/zinc/76/14/26/569761426.db2.gz RVCAXXMXMUMITE-WOOAAIBNSA-N 0 1 453.292 4.680 50 30 JJEAMN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036316494 569762972 /nfs/dbraw/zinc/76/29/72/569762972.db2.gz OGSIYQVHXPLKIN-QHCPKHFHSA-N 0 1 477.580 4.589 50 30 JJEAMN C#CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036316495 569763189 /nfs/dbraw/zinc/76/31/89/569763189.db2.gz OGSIYQVHXPLKIN-HSZRJFAPSA-N 0 1 477.580 4.589 50 30 JJEAMN C=CCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccc(F)cc2)CC1 ZINC000036340809 569763952 /nfs/dbraw/zinc/76/39/52/569763952.db2.gz AEFVGUDIDMAKFR-VWLOTQADSA-N 0 1 474.624 4.885 50 30 JJEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346069 569768791 /nfs/dbraw/zinc/76/87/91/569768791.db2.gz PYBHEYCBYWYESP-QFIPXVFZSA-N 0 1 453.558 4.888 50 30 JJEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346389 569769711 /nfs/dbraw/zinc/76/97/11/569769711.db2.gz ITKSKTVKPSWCBH-HSZRJFAPSA-N 0 1 453.558 4.888 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000101313883 569792288 /nfs/dbraw/zinc/79/22/88/569792288.db2.gz UEGQSIXLDDPADS-ONQGDUAMSA-N 0 1 497.547 4.687 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102169966 569810625 /nfs/dbraw/zinc/81/06/25/569810625.db2.gz KOCXXDARUWASGQ-SBXHHDGASA-N 0 1 487.512 4.647 50 30 JJEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)ccc1OCC(C)C ZINC000102175291 569810689 /nfs/dbraw/zinc/81/06/89/569810689.db2.gz JKGPWTDHAHPVBO-ZHHPLPSFSA-N 0 1 470.997 4.667 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102931739 569828629 /nfs/dbraw/zinc/82/86/29/569828629.db2.gz XQBVSTCDVOBHKA-LFVOPCPISA-N 0 1 450.447 4.663 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000103990959 569839679 /nfs/dbraw/zinc/83/96/79/569839679.db2.gz QXNXFKCPYBKJRF-IOUQRVAPSA-N 0 1 469.537 4.683 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000103998423 569839779 /nfs/dbraw/zinc/83/97/79/569839779.db2.gz CFBCXNWQPIYRQQ-NSOCNUKWSA-N 0 1 499.563 4.779 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000104008380 569839914 /nfs/dbraw/zinc/83/99/14/569839914.db2.gz FQJSNKIXTNWOIX-NKHPTUSLSA-N 0 1 493.600 4.893 50 30 JJEAMN Cc1ccc2nc(NC(=O)C(=O)[C@@H](C(=O)C=Cc3ccccc3)[C@H]3OC(=O)c4ccccc43)sc2c1 ZINC000198723568 569873890 /nfs/dbraw/zinc/87/38/90/569873890.db2.gz KFRQRZCLHLHXJP-SGMGCHRDSA-N 0 1 496.544 4.923 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245280464 570061835 /nfs/dbraw/zinc/06/18/35/570061835.db2.gz RMTVATQYHGUXJV-ILBGXUMGSA-N 0 1 495.595 4.563 50 30 JJEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000004008713 194369253 /nfs/dbraw/zinc/36/92/53/194369253.db2.gz YOUQBGAPVJKKRC-QFIPXVFZSA-N 0 1 493.361 4.659 50 30 JJEAMN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1 ZINC000096279719 130024497 /nfs/dbraw/zinc/02/44/97/130024497.db2.gz NOWGYVQRGTUGCT-RCDICMHDSA-N 0 1 498.557 4.685 50 30 JJEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102482923 130136501 /nfs/dbraw/zinc/13/65/01/130136501.db2.gz MISGFCNWVLDVBY-MRJHHRETSA-N 0 1 494.500 4.980 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 ZINC000102484464 130138454 /nfs/dbraw/zinc/13/84/54/130138454.db2.gz JULJVUDUVIOFGY-CZNAVJSXSA-N 0 1 470.569 4.557 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000102488957 130142997 /nfs/dbraw/zinc/14/29/97/130142997.db2.gz FTRFLSMILDFPSJ-IUKMQXEJSA-N 0 1 489.572 4.583 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102490219 130144446 /nfs/dbraw/zinc/14/44/46/130144446.db2.gz CCQWZQOKSDOAQM-ONQGDUAMSA-N 0 1 484.596 4.866 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(F)c3)sc2c1 ZINC000102498080 130152134 /nfs/dbraw/zinc/15/21/34/130152134.db2.gz GCUQEGUHLNWJFE-WOOAAIBNSA-N 0 1 450.447 4.663 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102499290 130153565 /nfs/dbraw/zinc/15/35/65/130153565.db2.gz VVQHZMUVBHCABF-NPJIAGGLSA-N 0 1 489.572 4.581 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102511910 130166007 /nfs/dbraw/zinc/16/60/07/130166007.db2.gz JZOLGWIMIHCPKK-MWCANZRFSA-N 0 1 484.508 4.583 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102520603 130173029 /nfs/dbraw/zinc/17/30/29/130173029.db2.gz KTPRJOLRYDOCAS-ZHHPLPSFSA-N 0 1 479.964 4.837 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102547296 130201438 /nfs/dbraw/zinc/20/14/38/130201438.db2.gz RUVMFCUKTSSKLA-NXLSWJSLSA-N 0 1 486.480 4.790 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102548724 130202378 /nfs/dbraw/zinc/20/23/78/130202378.db2.gz MWUDNEPUQNSJBE-UUALVTFQSA-N 0 1 499.563 4.911 50 30 JJEAMN O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000102549212 130202854 /nfs/dbraw/zinc/20/28/54/130202854.db2.gz XBTFJFSMKKGYGC-CJJGVWJISA-N 0 1 477.520 4.678 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000102554136 130204906 /nfs/dbraw/zinc/20/49/06/130204906.db2.gz PMYZERAVSFFUTJ-ZHHPLPSFSA-N 0 1 456.454 4.781 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102646750 130230111 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/nfs/dbraw/zinc/26/79/28/130267928.db2.gz UOWONNOGKCGEHK-CZNAVJSXSA-N 0 1 488.559 4.696 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102733567 130277393 /nfs/dbraw/zinc/27/73/93/130277393.db2.gz KWKRBPQBTUNTQI-HVESIFNPSA-N 0 1 468.556 4.624 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102798661 130307071 /nfs/dbraw/zinc/30/70/71/130307071.db2.gz XJUFCCHPZVUTOQ-SELCWUDQSA-N 0 1 484.480 4.533 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102799836 130309142 /nfs/dbraw/zinc/30/91/42/130309142.db2.gz MKTNJYYSMZRXJL-DPEHCCBOSA-N 0 1 474.947 4.579 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102804804 130312266 /nfs/dbraw/zinc/31/22/66/130312266.db2.gz XMZDOIWLRPUEKZ-HVESIFNPSA-N 0 1 486.933 4.809 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102804804 130312271 /nfs/dbraw/zinc/31/22/71/130312271.db2.gz XMZDOIWLRPUEKZ-HVESIFNPSA-N 0 1 486.933 4.809 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102806164 130313465 /nfs/dbraw/zinc/31/34/65/130313465.db2.gz ITCFMKCHGLQTJL-LFVOPCPISA-N 0 1 459.285 4.925 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000102866100 130339652 /nfs/dbraw/zinc/33/96/52/130339652.db2.gz HMWAYOBSKKSKCL-CJJGVWJISA-N 0 1 488.559 4.696 50 30 JJEAMN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102868643 130341866 /nfs/dbraw/zinc/34/18/66/130341866.db2.gz QGMNYPIEFHEIOF-CZNAVJSXSA-N 0 1 469.537 4.685 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000102876813 130349364 /nfs/dbraw/zinc/34/93/64/130349364.db2.gz LUNXNJZYRDOUSA-IUKMQXEJSA-N 0 1 472.541 4.844 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102877911 130351620 /nfs/dbraw/zinc/35/16/20/130351620.db2.gz WBAHCJNQQFWYOB-WOOAAIBNSA-N 0 1 450.447 4.663 50 30 JJEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102881042 130357545 /nfs/dbraw/zinc/35/75/45/130357545.db2.gz WDRHUHINYYSURS-LFVOPCPISA-N 0 1 461.455 4.732 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000102925946 130397227 /nfs/dbraw/zinc/39/72/27/130397227.db2.gz HBPRESKSFZPJCL-UUALVTFQSA-N 0 1 491.547 4.986 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000102926472 130398016 /nfs/dbraw/zinc/39/80/16/130398016.db2.gz KLFDLJOKNIHHKS-IIHDFJPDSA-N 0 1 455.510 4.641 50 30 JJEAMN C=CCC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305751 518722725 /nfs/dbraw/zinc/72/27/25/518722725.db2.gz DHTQOLYTJDOJLI-QFIPXVFZSA-N 0 1 465.594 4.664 50 30 JJEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303936 518982822 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CTYOWWVSPNPKLF-GOSISDBHSA-N 0 1 453.451 4.590 50 30 JJEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000009282420 527175392 /nfs/dbraw/zinc/17/53/92/527175392.db2.gz NPKFBXJOMMAOGL-VWLOTQADSA-N 0 1 483.572 4.631 50 30 JJEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000012322022 527606973 /nfs/dbraw/zinc/60/69/73/527606973.db2.gz CPRPTBMRHZWELH-QHCPKHFHSA-N 0 1 458.562 4.508 50 30 JJEAMN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000096279717 535208288 /nfs/dbraw/zinc/20/82/88/535208288.db2.gz ABEGTQXUQVCJAG-FPTDNZKUSA-N 0 1 498.557 4.685 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102492235 535283917 /nfs/dbraw/zinc/28/39/17/535283917.db2.gz SNYCTFLCDXGFOQ-IUKMQXEJSA-N 0 1 489.572 4.583 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102865145 535284211 /nfs/dbraw/zinc/28/42/11/535284211.db2.gz FTRHNMKFCGJNPA-WOOAAIBNSA-N 0 1 496.541 4.555 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102876850 535284420 /nfs/dbraw/zinc/28/44/20/535284420.db2.gz WQFDQKNXPQUVFW-GHNGSUTGSA-N 0 1 498.582 4.715 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102541960 535417297 /nfs/dbraw/zinc/41/72/97/535417297.db2.gz JOEQVBSFCHPCMM-NPJIAGGLSA-N 0 1 489.572 4.501 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(OC)c1 ZINC000102715535 536854779 /nfs/dbraw/zinc/85/47/79/536854779.db2.gz IVHJBZXRTOFAGJ-CJJGVWJISA-N 0 1 487.552 4.651 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000000625759 553714205 /nfs/dbraw/zinc/71/42/05/553714205.db2.gz ULNFDEUIBFLFKB-PKOBYXMFSA-N 0 1 476.754 4.860 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000000864421 553804095 /nfs/dbraw/zinc/80/40/95/553804095.db2.gz UAHDZDAWDJHHNZ-QUCCMNQESA-N 0 1 456.336 4.515 50 30 JJEAMN CCOC(=O)[C@@H]1C(=O)CC(=Nc2sc3c(c2C#N)CCCC3)C[C@@H]1c1cccc(OC)c1 ZINC000001080032 553905113 /nfs/dbraw/zinc/90/51/13/553905113.db2.gz IYXTTZOYQDXORX-XXBNENTESA-N 0 1 450.560 4.739 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(F)c2)cc1Cl ZINC000001109442 553909120 /nfs/dbraw/zinc/90/91/20/553909120.db2.gz FHANJDVOMDGEES-OAQYLSRUSA-N 0 1 452.869 4.661 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001155157 553918651 /nfs/dbraw/zinc/91/86/51/553918651.db2.gz HILUCKHGUUUCAX-JOCHJYFZSA-N 0 1 459.458 4.560 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2ccccc2)c1 ZINC000001413323 553967542 /nfs/dbraw/zinc/96/75/42/553967542.db2.gz WNQJCQUWANEGGW-VWLOTQADSA-N 0 1 473.525 4.533 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000001413516 553968276 /nfs/dbraw/zinc/96/82/76/553968276.db2.gz BKLWLDLCKXMOIV-SANMLTNESA-N 0 1 498.535 4.712 50 30 JJEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(O)cc1 ZINC000001414764 553969109 /nfs/dbraw/zinc/96/91/09/553969109.db2.gz FMSHHLAVEISHGW-XMMPIXPASA-N 0 1 456.473 4.834 50 30 JJEAMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000001916336 554003909 /nfs/dbraw/zinc/00/39/09/554003909.db2.gz VXAGIMFJFLQXMX-LSFURLLWSA-N 0 1 457.275 4.809 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2F)s1 ZINC000008741080 554643580 /nfs/dbraw/zinc/64/35/80/554643580.db2.gz XLXZTDPHYBQFNK-LJQANCHMSA-N 0 1 453.495 4.556 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008779105 554675962 /nfs/dbraw/zinc/67/59/62/554675962.db2.gz ABIMLWPPUGCCKL-IBGZPJMESA-N 0 1 465.487 4.621 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)nc1C ZINC000008779272 554676108 /nfs/dbraw/zinc/67/61/08/554676108.db2.gz FWOQNYNKOMGVCI-KRWDZBQOSA-N 0 1 484.530 4.778 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)nc1C ZINC000008779273 554676142 /nfs/dbraw/zinc/67/61/42/554676142.db2.gz FODZHTQTKJBYNG-LJQANCHMSA-N 0 1 496.491 4.855 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2OC)nc1C ZINC000008779318 554676598 /nfs/dbraw/zinc/67/65/98/554676598.db2.gz IXWYIDJVJOPHGR-SFHVURJKSA-N 0 1 496.566 4.647 50 30 JJEAMN Fc1ccc(Nc2nc(=NN=Cc3ccc(-c4cccc(Cl)c4)o3)nc(N3CCOCC3)[nH]2)cc1 ZINC000008853872 554749829 /nfs/dbraw/zinc/74/98/29/554749829.db2.gz JBVCSBQZYPOPOQ-DICXZTSXSA-N 0 1 493.930 4.950 50 30 JJEAMN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CSc2nc(-c3cccs3)n[nH]2)c1C#N ZINC000009221098 554990197 /nfs/dbraw/zinc/99/01/97/554990197.db2.gz ADPFIOIDFPABEC-UHFFFAOYSA-N 0 1 452.540 4.682 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009235954 555010134 /nfs/dbraw/zinc/01/01/34/555010134.db2.gz IXIAKJXIIISLGV-INIZCTEOSA-N 0 1 486.303 4.597 50 30 JJEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000013381813 555393194 /nfs/dbraw/zinc/39/31/94/555393194.db2.gz RACDDYMILPUSBX-NRFANRHFSA-N 0 1 480.362 4.623 50 30 JJEAMN COC(=O)c1c(/N=C/c2cc(Br)cc(Br)c2O)sc2c1CCN(C)C2 ZINC000019995922 555576998 /nfs/dbraw/zinc/57/69/98/555576998.db2.gz GSZOIYOWDCZRRI-IFRROFPPSA-N 0 1 488.201 4.504 50 30 JJEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020064589 555624734 /nfs/dbraw/zinc/62/47/34/555624734.db2.gz KDLCONYZHWXLJI-XMMPIXPASA-N 0 1 497.035 4.938 50 30 JJEAMN C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OCC ZINC000013955248 555659675 /nfs/dbraw/zinc/65/96/75/555659675.db2.gz VAZNPNBFWDZNFB-WJDWOHSUSA-N 0 1 481.020 4.911 50 30 JJEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1 ZINC000020192942 555694023 /nfs/dbraw/zinc/69/40/23/555694023.db2.gz LQWDWLBQOPMURZ-QFIPXVFZSA-N 0 1 499.398 4.627 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccccc3F)cc2)c1 ZINC000020229489 555720333 /nfs/dbraw/zinc/72/03/33/555720333.db2.gz YGXGIPOKAFLLIE-SANMLTNESA-N 0 1 488.559 4.853 50 30 JJEAMN C=C(Cl)Cn1c2cc(SC)ccc2cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1=O ZINC000023361310 556048838 /nfs/dbraw/zinc/04/88/38/556048838.db2.gz DAVHNIAPZWTPIS-UHFFFAOYSA-N 0 1 498.048 4.522 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000016713639 556154396 /nfs/dbraw/zinc/15/43/96/556154396.db2.gz ZARKIWULFHTGQY-SANMLTNESA-N 0 1 487.552 4.807 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)nc1C ZINC000016944295 556182310 /nfs/dbraw/zinc/18/23/10/556182310.db2.gz FVOPKLRDHGJDOZ-GOSISDBHSA-N 0 1 466.490 4.550 50 30 JJEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)ccc1OCC(C)C ZINC000016946806 556183257 /nfs/dbraw/zinc/18/32/57/556183257.db2.gz MQXUURFYGQYMCD-XMMPIXPASA-N 0 1 457.530 4.598 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000013118820 556331415 /nfs/dbraw/zinc/33/14/15/556331415.db2.gz JDBRXFJMLYAODI-IBGZPJMESA-N 0 1 480.274 4.535 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000013121652 556338634 /nfs/dbraw/zinc/33/86/34/556338634.db2.gz LSNFIRITVLJICT-IBGZPJMESA-N 0 1 453.267 4.766 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(OCCC(C)C)c2)cc1 ZINC000008384184 569589216 /nfs/dbraw/zinc/58/92/16/569589216.db2.gz OEYSCAIAWOAZNQ-XMMPIXPASA-N 0 1 467.562 4.735 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000008737831 569602154 /nfs/dbraw/zinc/60/21/54/569602154.db2.gz VAUAJTXLMOVJPA-INIZCTEOSA-N 0 1 472.906 4.576 50 30 JJEAMN C=CCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000083333092 569708718 /nfs/dbraw/zinc/70/87/18/569708718.db2.gz PCYQNXXLGBUKHP-PDGQHHTCSA-N 0 1 460.361 4.866 50 30 JJEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000095011317 569721477 /nfs/dbraw/zinc/72/14/77/569721477.db2.gz BEZPAWQORRKRFE-HXUWFJFHSA-N 0 1 456.329 4.859 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000100446412 569761383 /nfs/dbraw/zinc/76/13/83/569761383.db2.gz GYNDHPGPYNWCCD-SELCWUDQSA-N 0 1 457.255 4.511 50 30 JJEAMN C=CCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2cccc(C)c2)CC1 ZINC000036340102 569763544 /nfs/dbraw/zinc/76/35/44/569763544.db2.gz KFATWYMPSCFOAK-AREMUKBSSA-N 0 1 486.660 4.638 50 30 JJEAMN C=CCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340048 569763561 /nfs/dbraw/zinc/76/35/61/569763561.db2.gz DUYVJGWHVIPOEX-SANMLTNESA-N 0 1 486.660 4.638 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000101072773 569781420 /nfs/dbraw/zinc/78/14/20/569781420.db2.gz KBJTZJRNXIZGIH-NHFXJNLRSA-N 0 1 479.286 4.984 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000101104137 569782995 /nfs/dbraw/zinc/78/29/95/569782995.db2.gz CCEOBMGOGHKCGQ-NHFXJNLRSA-N 0 1 479.286 4.984 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000101104153 569783001 /nfs/dbraw/zinc/78/30/01/569783001.db2.gz GWXSCKSQTDAIDJ-YDJIHCHBSA-N 0 1 479.286 4.984 50 30 JJEAMN CCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(Br)ccc1F ZINC000101285040 569789174 /nfs/dbraw/zinc/78/91/74/569789174.db2.gz SJAAHCYRAXJIHT-SFHVURJKSA-N 0 1 451.340 4.982 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000101287422 569789515 /nfs/dbraw/zinc/78/95/15/569789515.db2.gz CMDQFSYWVHYUGS-JBCNATCCSA-N 0 1 450.878 4.828 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000101287843 569789725 /nfs/dbraw/zinc/78/97/25/569789725.db2.gz BCVZZFDJKNRUQJ-LFVOPCPISA-N 0 1 452.919 4.988 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101313278 569791970 /nfs/dbraw/zinc/79/19/70/569791970.db2.gz RWDCZUUIMVDBLQ-MRJHHRETSA-N 0 1 495.329 4.937 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000101313889 569792411 /nfs/dbraw/zinc/79/24/11/569792411.db2.gz LEPFUPMRWSYLOH-CZNAVJSXSA-N 0 1 483.520 4.645 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000038315454 569801220 /nfs/dbraw/zinc/80/12/20/569801220.db2.gz SGCUAWMMHUEDKY-VEDVITAVSA-N 0 1 477.557 4.556 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000102861156 569824934 /nfs/dbraw/zinc/82/49/34/569824934.db2.gz QOMIVLPPWNQVND-YDJIHCHBSA-N 0 1 498.532 4.551 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccc2)nc1C ZINC000102872852 569826041 /nfs/dbraw/zinc/82/60/41/569826041.db2.gz LBOYFCOBEHQTRH-GHNGSUTGSA-N 0 1 498.944 4.526 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102875665 569826427 /nfs/dbraw/zinc/82/64/27/569826427.db2.gz MGRKUQMZIJNQIN-GROYHEBESA-N 0 1 486.908 4.657 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2cccs2)nc1C ZINC000102929655 569827898 /nfs/dbraw/zinc/82/78/98/569827898.db2.gz FNUROPJWKVNGCJ-GHNGSUTGSA-N 0 1 498.582 4.715 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000103998428 569839675 /nfs/dbraw/zinc/83/96/75/569839675.db2.gz CFBCXNWQPIYRQQ-JVJOXMINSA-N 0 1 499.563 4.779 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000104192701 569842767 /nfs/dbraw/zinc/84/27/67/569842767.db2.gz DHHSPIMRPVPCLZ-NXLSWJSLSA-N 0 1 451.563 4.796 50 30 JJEAMN C=CCC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245330135 570066509 /nfs/dbraw/zinc/06/65/09/570066509.db2.gz XMAPQTDBAXUYTQ-JTHBVZDNSA-N 0 1 456.652 4.519 50 30 JJEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(OC)c1OC ZINC000252606318 570085616 /nfs/dbraw/zinc/08/56/16/570085616.db2.gz GQZKOHYZQUKUIO-UHFFFAOYSA-N 0 1 481.490 4.684 50 30 JJEAMN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263585533 570171202 /nfs/dbraw/zinc/17/12/02/570171202.db2.gz JSUSZJJLUIBMTH-XALKBWLWSA-N 0 1 466.581 4.689 50 30 JJEAMN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263585533 570171203 /nfs/dbraw/zinc/17/12/03/570171203.db2.gz JSUSZJJLUIBMTH-XALKBWLWSA-N 0 1 466.581 4.689 50 30 JJEAMN COc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S2)cc1OC ZINC000001181401 194063351 /nfs/dbraw/zinc/06/33/51/194063351.db2.gz RJTRDYPIJUYMHG-BXRYWYBQSA-N 0 1 471.888 4.540 50 30 JJEAMN C=CCCCCCCCCC(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC=C)CC[C@]314 ZINC000012660731 195080694 /nfs/dbraw/zinc/08/06/94/195080694.db2.gz DQQNIOSHMHOPOK-QVDUQQMDSA-N 0 1 493.644 4.808 50 30 biogenic JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102368731 130122753 /nfs/dbraw/zinc/12/27/53/130122753.db2.gz NQHDHQZLEKRHPR-AYWGPLOBSA-N 0 1 479.964 4.836 50 30 JJEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(C)o2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102486014 130140162 /nfs/dbraw/zinc/14/01/62/130140162.db2.gz BGBFVLRXMYQOIG-NHFXJNLRSA-N 0 1 464.474 4.972 50 30 JJEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102513757 130167331 /nfs/dbraw/zinc/16/73/31/130167331.db2.gz YKRNJZZYZCASDL-NPJIAGGLSA-N 0 1 464.606 4.576 50 30 JJEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102513757 130167333 /nfs/dbraw/zinc/16/73/33/130167333.db2.gz YKRNJZZYZCASDL-NPJIAGGLSA-N 0 1 464.606 4.576 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102535604 130190290 /nfs/dbraw/zinc/19/02/90/130190290.db2.gz USUXRFPBKJWFHY-NHFXJNLRSA-N 0 1 464.474 4.972 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 ZINC000102542806 130199007 /nfs/dbraw/zinc/19/90/07/130199007.db2.gz JCCRLMNCQNZYGM-GHNGSUTGSA-N 0 1 464.743 4.561 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102548736 130202419 /nfs/dbraw/zinc/20/24/19/130202419.db2.gz MWUDNEPUQNSJBE-ONQGDUAMSA-N 0 1 499.563 4.911 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102564550 130212026 /nfs/dbraw/zinc/21/20/26/130212026.db2.gz DJUBDMOXPJPVIA-XCSSDTEYSA-N 0 1 469.537 4.683 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102627816 130227127 /nfs/dbraw/zinc/22/71/27/130227127.db2.gz FFHIEUJJQVUSNH-QJGVGSKSSA-N 0 1 452.919 4.746 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102692477 130239740 /nfs/dbraw/zinc/23/97/40/130239740.db2.gz NHUQNSNPKYOXOL-ONQGDUAMSA-N 0 1 484.596 4.866 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102692477 130239743 /nfs/dbraw/zinc/23/97/43/130239743.db2.gz NHUQNSNPKYOXOL-ONQGDUAMSA-N 0 1 484.596 4.866 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102718073 130264200 /nfs/dbraw/zinc/26/42/00/130264200.db2.gz LDGQIHSEXJRZSZ-YDJIHCHBSA-N 0 1 483.318 4.771 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102804682 130312518 /nfs/dbraw/zinc/31/25/18/130312518.db2.gz OCNHPHKMTKLBTC-GROYHEBESA-N 0 1 486.933 4.809 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102862154 130334042 /nfs/dbraw/zinc/33/40/42/130334042.db2.gz ZNLCJCZCLXFBBP-TVXPFAQOSA-N 0 1 485.536 4.649 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102862397 130334581 /nfs/dbraw/zinc/33/45/81/130334581.db2.gz OZQRCFCPYYFNPG-IUKMQXEJSA-N 0 1 472.541 4.891 50 30 JJEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102872734 130344182 /nfs/dbraw/zinc/34/41/82/130344182.db2.gz KMIBMEKGSVBNQQ-MRJHHRETSA-N 0 1 488.496 4.848 50 30 JJEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102879351 130353990 /nfs/dbraw/zinc/35/39/90/130353990.db2.gz YDNZNBQZYGPBLQ-NHFXJNLRSA-N 0 1 468.506 4.543 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000102882035 130360385 /nfs/dbraw/zinc/36/03/85/130360385.db2.gz QNPMWDMEWQAQPR-AMKIGSDESA-N 0 1 485.536 4.736 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000102888691 130369663 /nfs/dbraw/zinc/36/96/63/130369663.db2.gz VXMSXMNGIGANKT-WOOAAIBNSA-N 0 1 453.292 4.680 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000102926477 130398228 /nfs/dbraw/zinc/39/82/28/130398228.db2.gz KLFDLJOKNIHHKS-NEMSTITPSA-N 0 1 455.510 4.641 50 30 JJEAMN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)CC1CC1 ZINC000036303618 518311147 /nfs/dbraw/zinc/31/11/47/518311147.db2.gz BNSKYFHORAVCTF-HSZRJFAPSA-N 0 1 480.008 4.849 50 30 JJEAMN C#CCOc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000002971243 518319503 /nfs/dbraw/zinc/31/95/03/518319503.db2.gz YKXGCHIJMMJORQ-JLHYYAGUSA-N 0 1 461.326 4.686 50 30 JJEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000009187564 518496445 /nfs/dbraw/zinc/49/64/45/518496445.db2.gz VHXBVEWQFZZYGZ-XUSGNXJCSA-N 0 1 492.528 4.900 50 30 JJEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Cl)c1 ZINC000016156189 518971617 /nfs/dbraw/zinc/97/16/17/518971617.db2.gz UDITWUJJQIOHSG-HSZRJFAPSA-N 0 1 478.936 4.558 50 30 JJEAMN C=CCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl ZINC000036304974 518982739 /nfs/dbraw/zinc/98/27/39/518982739.db2.gz KBUMYTIKEAMMFK-NRFANRHFSA-N 0 1 486.012 4.545 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307252 518985750 /nfs/dbraw/zinc/98/57/50/518985750.db2.gz RMTVATQYHGUXJV-ZCYQVOJMSA-N 0 1 495.595 4.563 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000016732454 519022063 /nfs/dbraw/zinc/02/20/63/519022063.db2.gz IQXGNPNFNUZMQX-UNMCSNQZSA-N 0 1 498.373 4.771 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c(C)c1 ZINC000009994533 519022810 /nfs/dbraw/zinc/02/28/10/519022810.db2.gz MZGAZXQCSMRKBT-DEOSSOPVSA-N 0 1 458.489 4.872 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009461122 519041379 /nfs/dbraw/zinc/04/13/79/519041379.db2.gz DBVRHNVOAAXURH-HSZRJFAPSA-N 0 1 477.948 4.770 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009424078 519060278 /nfs/dbraw/zinc/06/02/78/519060278.db2.gz UNHSMQQKJQVGSO-WXTAPIANSA-N 0 1 482.536 4.748 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000009455307 519062167 /nfs/dbraw/zinc/06/21/67/519062167.db2.gz QAKCBJDSZFJLSF-SANMLTNESA-N 0 1 483.520 4.801 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009403606 519062640 /nfs/dbraw/zinc/06/26/40/519062640.db2.gz NXNKWYHKCZYFGX-NSYGIPOTSA-N 0 1 471.509 4.946 50 30 JJEAMN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009374026 519675749 /nfs/dbraw/zinc/67/57/49/519675749.db2.gz ZXAGDKDKVOAOGN-NIYFSFCBSA-N 0 1 492.616 4.575 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009244334 519778422 /nfs/dbraw/zinc/77/84/22/519778422.db2.gz OWVGMSLSGBMJFK-XMMPIXPASA-N 0 1 464.606 4.911 50 30 JJEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009329053 520258247 /nfs/dbraw/zinc/25/82/47/520258247.db2.gz HYNKXEUWXFFNCU-NKHPTUSLSA-N 0 1 492.616 4.562 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009271574 520329550 /nfs/dbraw/zinc/32/95/50/520329550.db2.gz UAQVEAZHWFVFBM-VWLOTQADSA-N 0 1 489.572 4.739 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000022275861 520329634 /nfs/dbraw/zinc/32/96/34/520329634.db2.gz OOZBDJCGIDFYGF-JOCHJYFZSA-N 0 1 456.970 4.577 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000022275861 520329640 /nfs/dbraw/zinc/32/96/40/520329640.db2.gz OOZBDJCGIDFYGF-JOCHJYFZSA-N 0 1 456.970 4.577 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000009373721 520775586 /nfs/dbraw/zinc/77/55/86/520775586.db2.gz OXIAWAIBRABKKT-XRHLQHRESA-N 0 1 499.563 4.935 50 30 biogenic JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2F)cc1 ZINC000009472213 520862706 /nfs/dbraw/zinc/86/27/06/520862706.db2.gz VQKMKCYQQGFDIS-FQEVSTJZSA-N 0 1 467.522 4.947 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009086224 520878209 /nfs/dbraw/zinc/87/82/09/520878209.db2.gz KWCCBMCMIKPWAG-LJQANCHMSA-N 0 1 450.318 4.617 50 30 JJEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000009353978 520908817 /nfs/dbraw/zinc/90/88/17/520908817.db2.gz CPXUXTHKXQVWMD-AVRWGWEMSA-N 0 1 479.573 4.804 50 30 JJEAMN CCCCC1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccc(OC)cc2)C1=O ZINC000009380011 521118092 /nfs/dbraw/zinc/11/80/92/521118092.db2.gz PTTVGUDRVWHQJS-SNPIYUIBSA-N 0 1 455.580 4.737 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000016734508 521236052 /nfs/dbraw/zinc/23/60/52/521236052.db2.gz BCNJNDMDXHSRLX-XMMPIXPASA-N 0 1 476.504 4.797 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000016742289 521236512 /nfs/dbraw/zinc/23/65/12/521236512.db2.gz XBFPYKBKFNHCNE-HXUWFJFHSA-N 0 1 491.525 4.783 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009424168 521238045 /nfs/dbraw/zinc/23/80/45/521238045.db2.gz LDZLOKMZWXBYJM-RUZDIDTESA-N 0 1 471.509 4.635 50 30 JJEAMN CCCCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000033650717 521253542 /nfs/dbraw/zinc/25/35/42/521253542.db2.gz YXPKRHPWUNOSFX-JYAWBRCSSA-N 0 1 455.580 4.737 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009446361 521266655 /nfs/dbraw/zinc/26/66/55/521266655.db2.gz WNFKTAIYTPKXKF-NRFANRHFSA-N 0 1 468.893 4.827 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009424996 521266762 /nfs/dbraw/zinc/26/67/62/521266762.db2.gz LDZLOKMZWXBYJM-VWLOTQADSA-N 0 1 471.509 4.635 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCOC)cc1OC ZINC000009379996 521267358 /nfs/dbraw/zinc/26/73/58/521267358.db2.gz KGCITHZVQKXDRW-VWLOTQADSA-N 0 1 497.588 4.662 50 30 JJEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000009158831 521360082 /nfs/dbraw/zinc/36/00/82/521360082.db2.gz OAWRCZBTFXBQPR-QFIPXVFZSA-N 0 1 493.947 4.635 50 30 JJEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000015837066 521417261 /nfs/dbraw/zinc/41/72/61/521417261.db2.gz BDAXWNHGIAPYRL-SSOJOUAXSA-N 0 1 470.525 4.582 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccccc2F)nc1C ZINC000009472278 521610526 /nfs/dbraw/zinc/61/05/26/521610526.db2.gz AKBMNNKUCBUPCQ-IBGZPJMESA-N 0 1 498.507 4.998 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(F)c2)nc1C ZINC000016730326 521611824 /nfs/dbraw/zinc/61/18/24/521611824.db2.gz TVONMDXWISWXMB-LJQANCHMSA-N 0 1 498.507 4.998 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009046160 521611933 /nfs/dbraw/zinc/61/19/33/521611933.db2.gz BNLFWPJGAUPAMH-IBGZPJMESA-N 0 1 496.516 4.559 50 30 JJEAMN COc1cc(/C=N/N=C2\NC(=O)C(Cc3ccc(F)cc3)S2)ccc1OCc1ccccc1 ZINC000012197119 521988569 /nfs/dbraw/zinc/98/85/69/521988569.db2.gz IPKSGMNBPIDJRK-QNBNLKTOSA-N 0 1 463.534 4.578 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000016742353 522167395 /nfs/dbraw/zinc/16/73/95/522167395.db2.gz NQEMKAZOMKQEJW-HXUWFJFHSA-N 0 1 474.494 4.767 50 30 JJEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009312142 522170692 /nfs/dbraw/zinc/17/06/92/522170692.db2.gz JZVNTGDFVFPEML-GKVSMKOHSA-N 0 1 483.520 4.575 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000016805425 522420072 /nfs/dbraw/zinc/42/00/72/522420072.db2.gz AVWBTBOPFAQUPW-SFHVURJKSA-N 0 1 484.480 4.608 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000009353934 522423013 /nfs/dbraw/zinc/42/30/13/522423013.db2.gz XHTLOGDTYWYGQB-HNNXBMFYSA-N 0 1 474.947 4.736 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000009308830 522956988 /nfs/dbraw/zinc/95/69/88/522956988.db2.gz KZUHMPKTRIJVOO-DEOSSOPVSA-N 0 1 486.480 4.947 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(Br)c1 ZINC000009349881 523277655 /nfs/dbraw/zinc/27/76/55/523277655.db2.gz KMSUVTSOLWXLHD-NRFANRHFSA-N 0 1 488.378 4.851 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009380490 523279721 /nfs/dbraw/zinc/27/97/21/523279721.db2.gz XHRUMLVREXUYJM-HXUWFJFHSA-N 0 1 464.345 4.925 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000009413940 523282999 /nfs/dbraw/zinc/28/29/99/523282999.db2.gz CFCSMXADTDSIGU-VWLOTQADSA-N 0 1 473.525 4.586 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000006015175 523554593 /nfs/dbraw/zinc/55/45/93/523554593.db2.gz AMDXDQBDSHCQKE-XMMPIXPASA-N 0 1 459.546 4.684 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000009236500 523562740 /nfs/dbraw/zinc/56/27/40/523562740.db2.gz IOBUMLOOCQCMNP-JOCHJYFZSA-N 0 1 464.905 4.531 50 30 JJEAMN C[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc(Br)cc4c2OCOC4)O3)C1 ZINC000020647987 524092838 /nfs/dbraw/zinc/09/28/38/524092838.db2.gz NFHBZUFCQQQRSL-DGKJUAPTSA-N 0 1 486.362 4.869 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000009373840 524107981 /nfs/dbraw/zinc/10/79/81/524107981.db2.gz VCBAAEAQXCWAGE-LJQANCHMSA-N 0 1 469.291 4.537 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000009354292 524170640 /nfs/dbraw/zinc/17/06/40/524170640.db2.gz XTOBCWPYTYPXTI-GKVSMKOHSA-N 0 1 455.510 4.797 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009123654 524385993 /nfs/dbraw/zinc/38/59/93/524385993.db2.gz QBSCOHIXYSTFCB-NWEVARLASA-N 0 1 456.454 4.786 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccccc3)cc2)c1 ZINC000009356896 524444464 /nfs/dbraw/zinc/44/44/64/524444464.db2.gz ODROJUFDGYNPHV-SANMLTNESA-N 0 1 470.569 4.714 50 30 JJEAMN COc1ccccc1NC(=O)COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000015018610 524597697 /nfs/dbraw/zinc/59/76/97/524597697.db2.gz POQFGOHZRMXJRC-AFUMVMLFSA-N 0 1 462.531 4.777 50 30 JJEAMN COc1ccccc1NC(=O)COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1OC ZINC000015018610 524597708 /nfs/dbraw/zinc/59/77/08/524597708.db2.gz POQFGOHZRMXJRC-AFUMVMLFSA-N 0 1 462.531 4.777 50 30 JJEAMN Cc1cccc(Nc2nc(N=NCc3ccccc3[N+](=O)[O-])nc(N3CCC(C)CC3)n2)c1C ZINC000016675720 524701197 /nfs/dbraw/zinc/70/11/97/524701197.db2.gz ZOYGTFGWTPTOBB-MFKUBSTISA-N 0 1 460.542 4.823 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009124475 524977526 /nfs/dbraw/zinc/97/75/26/524977526.db2.gz QCEFUUISJZKOEB-HXPMCKFVSA-N 0 1 452.919 4.903 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009358136 524978016 /nfs/dbraw/zinc/97/80/16/524978016.db2.gz SFWGUKDYFLPPPV-QMHKHESXSA-N 0 1 477.948 4.529 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000012468633 525050877 /nfs/dbraw/zinc/05/08/77/525050877.db2.gz BQCVCUNVKIFUCW-SFHVURJKSA-N 0 1 457.255 4.668 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)c(OC)c1 ZINC000009424298 525220800 /nfs/dbraw/zinc/22/08/00/525220800.db2.gz GIDHAMYLVCMRNP-GOSISDBHSA-N 0 1 456.907 4.597 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000009360127 525220987 /nfs/dbraw/zinc/22/09/87/525220987.db2.gz RWJSGFWWQLPBDC-OAQYLSRUSA-N 0 1 453.878 4.729 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000009349727 525389076 /nfs/dbraw/zinc/38/90/76/525389076.db2.gz RUTNSHUJRQXWOS-VWLOTQADSA-N 0 1 488.540 4.665 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000009242926 525518055 /nfs/dbraw/zinc/51/80/55/525518055.db2.gz GABCEJYYHWXBPB-DMZKTXOQSA-N 0 1 487.512 4.937 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000009354502 525519214 /nfs/dbraw/zinc/51/92/14/525519214.db2.gz JWCVHVQKQCDWPP-CRICUBBOSA-N 0 1 455.510 4.537 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009044715 525670114 /nfs/dbraw/zinc/67/01/14/525670114.db2.gz POJHVZZGFNNACK-IBGZPJMESA-N 0 1 477.454 4.589 50 30 JJEAMN Cc1c(S(=O)(=O)Nc2cccc(C#N)c2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000065008866 525886892 /nfs/dbraw/zinc/88/68/92/525886892.db2.gz RKWHEOOBDHROIN-UHFFFAOYSA-N 0 1 452.536 4.936 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000009240331 526025249 /nfs/dbraw/zinc/02/52/49/526025249.db2.gz JWQRTMJGIJYHAC-OAQYLSRUSA-N 0 1 463.331 4.931 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009437222 526268589 /nfs/dbraw/zinc/26/85/89/526268589.db2.gz ZJXWJHLHGRIQFQ-HSZRJFAPSA-N 0 1 461.901 4.890 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000009459490 526268901 /nfs/dbraw/zinc/26/89/01/526268901.db2.gz RIYQMNUPROTRRO-XMMPIXPASA-N 0 1 475.928 4.932 50 30 JJEAMN O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1 ZINC000009282405 526269354 /nfs/dbraw/zinc/26/93/54/526269354.db2.gz MBEZIYDZOSVRDP-SANMLTNESA-N 0 1 477.520 4.834 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000016742350 526355301 /nfs/dbraw/zinc/35/53/01/526355301.db2.gz VFXXQWYIABSRQX-NRFANRHFSA-N 0 1 473.510 4.801 50 30 JJEAMN O=C(Oc1cccc(C=NN=c2[nH]c3ccccc3s2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000009296482 526443953 /nfs/dbraw/zinc/44/39/53/526443953.db2.gz MXLMAJHEEJMFOJ-WSDLNYQXSA-N 0 1 463.431 4.778 50 30 JJEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Br)c1 ZINC000009123751 526834235 /nfs/dbraw/zinc/83/42/35/526834235.db2.gz GTKFTXFOBRJRER-GOSISDBHSA-N 0 1 455.333 4.684 50 30 JJEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000009271222 526962160 /nfs/dbraw/zinc/96/21/60/526962160.db2.gz CTYOWWVSPNPKLF-SFHVURJKSA-N 0 1 453.451 4.590 50 30 JJEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000102677368 534958635 /nfs/dbraw/zinc/95/86/35/534958635.db2.gz IKPBHCPOTILEIW-HDTBSZCESA-N 0 1 492.528 4.743 50 30 JJEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000102538873 535094124 /nfs/dbraw/zinc/09/41/24/535094124.db2.gz LYTWCECIBREQLS-ONDFOOFZSA-N 0 1 479.573 4.647 50 30 JJEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102694615 535830728 /nfs/dbraw/zinc/83/07/28/535830728.db2.gz NDSWJSBTYQUDKY-NHFXJNLRSA-N 0 1 475.482 4.986 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(C)cc1 ZINC000102511781 536539363 /nfs/dbraw/zinc/53/93/63/536539363.db2.gz OKUJDYMASHGNGJ-NXLSWJSLSA-N 0 1 451.563 4.796 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(O)cc1 ZINC000102535029 536539755 /nfs/dbraw/zinc/53/97/55/536539755.db2.gz OZVLKHDFWKOPGR-CJJGVWJISA-N 0 1 487.552 4.738 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(O)cc1 ZINC000102690452 536540223 /nfs/dbraw/zinc/54/02/23/536540223.db2.gz OWQKSAJIKWNWHZ-CJJGVWJISA-N 0 1 487.552 4.738 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000102695595 537074266 /nfs/dbraw/zinc/07/42/66/537074266.db2.gz JQUKSXCSCFTNMN-LFVOPCPISA-N 0 1 459.285 4.925 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000000626276 553714376 /nfs/dbraw/zinc/71/43/76/553714376.db2.gz RYSWSMMAXKRAEU-HSZRJFAPSA-N 0 1 479.554 4.595 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000000626535 553714652 /nfs/dbraw/zinc/71/46/52/553714652.db2.gz OEAVQKZETLBFCD-RUZDIDTESA-N 0 1 452.510 4.998 50 30 JJEAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000001069604 553903968 /nfs/dbraw/zinc/90/39/68/553903968.db2.gz JNRXLZPSPKIVDT-BCHFMIIMSA-N 0 1 456.498 4.987 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000001117535 553910520 /nfs/dbraw/zinc/91/05/20/553910520.db2.gz LHAGFBNQHPIVOG-IEBWSBKVSA-N 0 1 476.754 4.860 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000001120928 553911470 /nfs/dbraw/zinc/91/14/70/553911470.db2.gz DLONHYBBLAGCRH-IBGZPJMESA-N 0 1 456.267 4.960 50 30 JJEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001121149 553911478 /nfs/dbraw/zinc/91/14/78/553911478.db2.gz ATKROTQXICPIEV-IBGZPJMESA-N 0 1 483.274 4.729 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000001153174 553917425 /nfs/dbraw/zinc/91/74/25/553917425.db2.gz GHAMYILYWHTIJG-SFHVURJKSA-N 0 1 466.515 4.621 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1OC ZINC000001451125 553973720 /nfs/dbraw/zinc/97/37/20/553973720.db2.gz KGFCJXOHXSUYIN-FQEVSTJZSA-N 0 1 499.317 4.546 50 30 JJEAMN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002101245 554042649 /nfs/dbraw/zinc/04/26/49/554042649.db2.gz JSUSZJJLUIBMTH-NMYVYJSWSA-N 0 1 466.581 4.689 50 30 JJEAMN CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1 ZINC000002260465 554121549 /nfs/dbraw/zinc/12/15/49/554121549.db2.gz FHVVQFCHCAWETK-UFWORHAWSA-N 0 1 471.174 4.501 50 30 JJEAMN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccncc4)n[nH]3)sc2C1 ZINC000002264874 554124416 /nfs/dbraw/zinc/12/44/16/554124416.db2.gz RNEWNLGZYVMKDT-CQSZACIVSA-N 0 1 452.609 4.682 50 30 JJEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(Cc2ccco2)C2=C1C(=O)CC(C)(C)C2 ZINC000002492039 554227318 /nfs/dbraw/zinc/22/73/18/554227318.db2.gz HLCIJUNESBWBKC-VWLOTQADSA-N 0 1 499.489 4.553 50 30 JJEAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000002619709 554244291 /nfs/dbraw/zinc/24/42/91/554244291.db2.gz YZVAYECNCBJDQU-UHFFFAOYSA-N 0 1 455.971 4.790 50 30 JJEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)F)cc1COc1cccc(C(F)(F)F)c1 ZINC000002791518 554347133 /nfs/dbraw/zinc/34/71/33/554347133.db2.gz CKBQEZIHYAYFMO-YCPBAFNGSA-N 0 1 458.412 4.993 50 30 JJEAMN CCCCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(O)c2)c1 ZINC000005918873 554496002 /nfs/dbraw/zinc/49/60/02/554496002.db2.gz DLMBSHGSAYDDNL-DEOSSOPVSA-N 0 1 458.514 4.745 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)nc1C ZINC000006459117 554542131 /nfs/dbraw/zinc/54/21/31/554542131.db2.gz IZUBOZZUNWIGAI-QGZVFWFLSA-N 0 1 480.523 4.829 50 30 JJEAMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C(=O)NC1=S ZINC000008396173 554571028 /nfs/dbraw/zinc/57/10/28/554571028.db2.gz IAZXZQXKJYYXTK-WOJGMQOQSA-N 0 1 492.354 4.721 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008742693 554645328 /nfs/dbraw/zinc/64/53/28/554645328.db2.gz MMWVXGWPQNOHOX-GOSISDBHSA-N 0 1 455.923 4.682 50 30 JJEAMN COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000008817568 554700421 /nfs/dbraw/zinc/70/04/21/554700421.db2.gz OBQJVMGOPOEKFJ-IBGZPJMESA-N 0 1 450.447 4.820 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 ZINC000008817888 554701159 /nfs/dbraw/zinc/70/11/59/554701159.db2.gz LYRRVKLFTRWFJC-SANMLTNESA-N 0 1 470.569 4.714 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 ZINC000008817888 554701160 /nfs/dbraw/zinc/70/11/60/554701160.db2.gz LYRRVKLFTRWFJC-SANMLTNESA-N 0 1 470.569 4.714 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1C ZINC000008827575 554717611 /nfs/dbraw/zinc/71/76/11/554717611.db2.gz ULJNASMIGSGBGL-FQEVSTJZSA-N 0 1 483.318 4.845 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000008827586 554717617 /nfs/dbraw/zinc/71/76/17/554717617.db2.gz IOGJCHNNDHTODG-HXUWFJFHSA-N 0 1 483.318 4.845 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000008836171 554735947 /nfs/dbraw/zinc/73/59/47/554735947.db2.gz WQMLQPJMSNTVHI-FQEVSTJZSA-N 0 1 476.510 4.998 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008836789 554737062 /nfs/dbraw/zinc/73/70/62/554737062.db2.gz FFDQRZIAPDHDBB-OAQYLSRUSA-N 0 1 492.509 4.698 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(OC)c2)cc1Cl ZINC000008836748 554737067 /nfs/dbraw/zinc/73/70/67/554737067.db2.gz QPPAUYGYQYIUFY-HSZRJFAPSA-N 0 1 495.963 4.612 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008837660 554738843 /nfs/dbraw/zinc/73/88/43/554738843.db2.gz LLCYUPVIZVOLSX-QFIPXVFZSA-N 0 1 465.937 4.604 50 30 JJEAMN C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000008845313 554742026 /nfs/dbraw/zinc/74/20/26/554742026.db2.gz RIVILAPFFMNVQU-MHZLTWQESA-N 0 1 482.540 4.886 50 30 JJEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000008845312 554742039 /nfs/dbraw/zinc/74/20/39/554742039.db2.gz RIVILAPFFMNVQU-HHHXNRCGSA-N 0 1 482.540 4.886 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000008856759 554752858 /nfs/dbraw/zinc/75/28/58/554752858.db2.gz LKTMJZAFDFRSLH-GOSISDBHSA-N 0 1 482.945 4.983 50 30 JJEAMN COc1cc([C@@H]2C(C(C)=O)C(Nc3ccc(Br)cc3)=C[C@@](C)(O)[C@@H]2C(C)=O)ccc1O ZINC000008856835 554753041 /nfs/dbraw/zinc/75/30/41/554753041.db2.gz RFVHJIZLWILSIT-WXFUMESZSA-N 0 1 488.378 4.562 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000008859762 554756323 /nfs/dbraw/zinc/75/63/23/554756323.db2.gz IHJVSCYQSJRIOF-RUZDIDTESA-N 0 1 487.556 4.515 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008859872 554756371 /nfs/dbraw/zinc/75/63/71/554756371.db2.gz NQLKWHOAPHRYFQ-RUZDIDTESA-N 0 1 488.540 4.666 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccco2)cc1 ZINC000008893216 554781896 /nfs/dbraw/zinc/78/18/96/554781896.db2.gz ZVULZLKUTVYCPK-IBGZPJMESA-N 0 1 494.525 4.569 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000008914506 554807640 /nfs/dbraw/zinc/80/76/40/554807640.db2.gz CUHWTKOKPYIBMW-SFHVURJKSA-N 0 1 457.255 4.668 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008996772 554857869 /nfs/dbraw/zinc/85/78/69/554857869.db2.gz XQKXUGDAHBGKFN-SBXHHDGASA-N 0 1 450.579 4.581 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000013282769 555370782 /nfs/dbraw/zinc/37/07/82/555370782.db2.gz GABCEJYYHWXBPB-XMHCIUCPSA-N 0 1 487.512 4.937 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccccc1OC ZINC000013427554 555400547 /nfs/dbraw/zinc/40/05/47/555400547.db2.gz ZHFZAFDANDUBQJ-DEOSSOPVSA-N 0 1 467.562 4.653 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000013549905 555491248 /nfs/dbraw/zinc/49/12/48/555491248.db2.gz OJRJEBBTOVUWHM-MRXNPFEDSA-N 0 1 472.906 4.576 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2F)nc1C ZINC000013550546 555491592 /nfs/dbraw/zinc/49/15/92/555491592.db2.gz RSPJGNCXBATZDH-INIZCTEOSA-N 0 1 472.519 4.612 50 30 JJEAMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc1 ZINC000009788873 555506021 /nfs/dbraw/zinc/50/60/21/555506021.db2.gz TZWWKGHKFIEDCT-ZDUSSCGKSA-N 0 1 453.593 4.802 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000013569341 555507514 /nfs/dbraw/zinc/50/75/14/555507514.db2.gz GKSBEDANQVBXKN-QGZVFWFLSA-N 0 1 455.333 4.997 50 30 JJEAMN CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000013811316 555627743 /nfs/dbraw/zinc/62/77/43/555627743.db2.gz KIEIZKUBVTZRHJ-JOCHJYFZSA-N 0 1 459.594 4.969 50 30 JJEAMN C=CCn1c(SC[C@@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000012566348 556064230 /nfs/dbraw/zinc/06/42/30/556064230.db2.gz RSFRTQUHYVTLJF-BTCOZLQPSA-N 0 1 496.702 4.614 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000016734373 556155581 /nfs/dbraw/zinc/15/55/81/556155581.db2.gz YISSJWFLJPGWFM-DEOSSOPVSA-N 0 1 475.497 4.640 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)s1 ZINC000016994631 556199029 /nfs/dbraw/zinc/19/90/29/556199029.db2.gz XMFWIQTXTXNLIW-QHCPKHFHSA-N 0 1 498.564 4.912 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000017163417 556230160 /nfs/dbraw/zinc/23/01/60/556230160.db2.gz POBNMVSGJOVCOF-GOSISDBHSA-N 0 1 484.480 4.689 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000026458936 556254083 /nfs/dbraw/zinc/25/40/83/556254083.db2.gz LALZJCSJUPVWCM-HSZRJFAPSA-N 0 1 463.461 4.771 50 30 JJEAMN COc1ccc(NC(=Nc2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)NC(=O)c2ccccc2)cc1 ZINC000018211651 556311124 /nfs/dbraw/zinc/31/11/24/556311124.db2.gz YVQWNADGSRXNKC-UHFFFAOYSA-N 0 1 499.596 4.909 50 30 JJEAMN CCCc1cc(N2CCN(CCOc3ccc(C)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000054290391 569589748 /nfs/dbraw/zinc/58/97/48/569589748.db2.gz CVZFMRWLESUKLG-UHFFFAOYSA-N 0 1 453.590 4.821 50 30 JJEAMN COc1cc([C@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000095483289 569725199 /nfs/dbraw/zinc/72/51/99/569725199.db2.gz CSGQZSHDBKVAJJ-QFIPXVFZSA-N 0 1 470.522 4.543 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000096101531 569732688 /nfs/dbraw/zinc/73/26/88/569732688.db2.gz RDNMXZHJEAAJIL-DEOSSOPVSA-N 0 1 473.573 4.858 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1Cl ZINC000096101690 569732767 /nfs/dbraw/zinc/73/27/67/569732767.db2.gz KVMCYYGCPFWBLI-JOCHJYFZSA-N 0 1 465.937 4.604 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097952424 569747392 /nfs/dbraw/zinc/74/73/92/569747392.db2.gz KNECMBHCBUFVCC-XMMPIXPASA-N 0 1 459.546 4.649 50 30 JJEAMN Cc1ccc(N2C(=O)C(=CNc3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C(=O)NC2=S)cc1 ZINC000100200256 569755152 /nfs/dbraw/zinc/75/51/52/569755152.db2.gz KVOFPIGQAABVDO-PFRKPPGBSA-N 0 1 490.566 4.821 50 30 JJEAMN C=CCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2cccc(C)c2)CC1 ZINC000036340103 569763619 /nfs/dbraw/zinc/76/36/19/569763619.db2.gz KFATWYMPSCFOAK-SANMLTNESA-N 0 1 486.660 4.638 50 30 JJEAMN C=CCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccc(F)cc2)CC1 ZINC000036340808 569763938 /nfs/dbraw/zinc/76/39/38/569763938.db2.gz AEFVGUDIDMAKFR-RUZDIDTESA-N 0 1 474.624 4.885 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000101075844 569781564 /nfs/dbraw/zinc/78/15/64/569781564.db2.gz QSPMKEAZALWWNR-NHFXJNLRSA-N 0 1 479.286 4.984 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000101104135 569782967 /nfs/dbraw/zinc/78/29/67/569782967.db2.gz DJCKFZMVARPDFG-GOBJLOIFSA-N 0 1 479.286 4.984 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000101104138 569783071 /nfs/dbraw/zinc/78/30/71/569783071.db2.gz CCEOBMGOGHKCGQ-YDJIHCHBSA-N 0 1 479.286 4.984 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000101287221 569789260 /nfs/dbraw/zinc/78/92/60/569789260.db2.gz BQJBAUBRSVMTMS-NXLSWJSLSA-N 0 1 462.590 4.532 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101287193 569789282 /nfs/dbraw/zinc/78/92/82/569789282.db2.gz JBSVJHHMXSFJRB-MRJHHRETSA-N 0 1 495.329 4.937 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101287793 569789691 /nfs/dbraw/zinc/78/96/91/569789691.db2.gz MNWAFCIYGDAXFZ-JBCNATCCSA-N 0 1 495.329 4.937 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101313269 569791951 /nfs/dbraw/zinc/79/19/51/569791951.db2.gz DFBWXUQGJMFGPL-HOGKFDNTSA-N 0 1 480.904 4.836 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000101313353 569791959 /nfs/dbraw/zinc/79/19/59/569791959.db2.gz NZWYCLBDCLDEHQ-AYWGPLOBSA-N 0 1 477.948 4.613 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101313581 569792251 /nfs/dbraw/zinc/79/22/51/569792251.db2.gz WUAXQBDYWMFPIY-IUKMQXEJSA-N 0 1 470.525 4.667 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101502779 569801035 /nfs/dbraw/zinc/80/10/35/569801035.db2.gz ACTZIBRJFOVQRB-HOGKFDNTSA-N 0 1 491.887 4.833 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102859464 569824807 /nfs/dbraw/zinc/82/48/07/569824807.db2.gz UNXBRKVHTIFVDB-MRJHHRETSA-N 0 1 492.509 4.541 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102861728 569825002 /nfs/dbraw/zinc/82/50/02/569825002.db2.gz NHGZKEIROAQUQU-WOOAAIBNSA-N 0 1 499.932 4.956 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102861240 569825010 /nfs/dbraw/zinc/82/50/10/569825010.db2.gz OFTUGGBHYSKBQZ-NXLSWJSLSA-N 0 1 464.606 4.756 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000102932423 569828759 /nfs/dbraw/zinc/82/87/59/569828759.db2.gz PDZUCMWLEDKOSV-SBXHHDGASA-N 0 1 476.598 4.619 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccs1 ZINC000102932421 569828893 /nfs/dbraw/zinc/82/88/93/569828893.db2.gz PDZUCMWLEDKOSV-NXLSWJSLSA-N 0 1 476.598 4.619 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)c(C)c1 ZINC000103129444 569833150 /nfs/dbraw/zinc/83/31/50/569833150.db2.gz JLOHTDKXYYBMLN-SBXHHDGASA-N 0 1 457.530 4.586 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000103990946 569839735 /nfs/dbraw/zinc/83/97/35/569839735.db2.gz QXNXFKCPYBKJRF-XCSSDTEYSA-N 0 1 469.537 4.683 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)ccc1O ZINC000104066945 569840241 /nfs/dbraw/zinc/84/02/41/569840241.db2.gz RYRKFAWYKPKLHS-SELCWUDQSA-N 0 1 456.907 4.527 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000104114017 569841009 /nfs/dbraw/zinc/84/10/09/569841009.db2.gz CRNAKXPEWMFMQQ-ZHHPLPSFSA-N 0 1 463.917 4.979 50 30 JJEAMN Cc1c(N2C(=O)C(=O)C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000104169558 569842342 /nfs/dbraw/zinc/84/23/42/569842342.db2.gz SSDVMYDPOXSJSP-KQAPWQHSSA-N 0 1 497.526 4.558 50 30 JJEAMN O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000104185535 569842560 /nfs/dbraw/zinc/84/25/60/569842560.db2.gz OXNFXRGTTHUXAP-IBOXJLQUSA-N 0 1 459.296 4.671 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000104185535 569842561 /nfs/dbraw/zinc/84/25/61/569842561.db2.gz OXNFXRGTTHUXAP-IBOXJLQUSA-N 0 1 459.296 4.671 50 30 JJEAMN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1cccc(C)c1 ZINC000104999336 569848971 /nfs/dbraw/zinc/84/89/71/569848971.db2.gz CWKOOEZNWXFYSW-RUZDIDTESA-N 0 1 461.606 4.508 50 30 JJEAMN C=CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679523 569869855 /nfs/dbraw/zinc/86/98/55/569869855.db2.gz MOIGOBBSAICLMG-IRLDBZIGSA-N 0 1 463.931 4.524 50 30 JJEAMN COc1c(Br)cc(C=NN2C(=S)N=NC2c2ccc(C)cc2)c(O)c1Br ZINC000252597069 570084635 /nfs/dbraw/zinc/08/46/35/570084635.db2.gz COTMJZFIIDVHQW-UHFFFAOYSA-N 0 1 498.200 4.664 50 30 JJEAMN COc1c(Cl)cc(Cl)cc1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCCCC2)n1 ZINC000252626678 570088552 /nfs/dbraw/zinc/08/85/52/570088552.db2.gz RDLGYCJUBRNWEH-UHFFFAOYSA-N 0 1 464.401 4.614 50 30 JJEAMN O=C(C[C@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000252642238 570090535 /nfs/dbraw/zinc/09/05/35/570090535.db2.gz ZKDYQJZLHCEXGX-XMMPIXPASA-N 0 1 486.597 4.688 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000006090196 194412531 /nfs/dbraw/zinc/41/25/31/194412531.db2.gz VUGHWZRXIOUDEI-VWLOTQADSA-N 0 1 488.540 4.584 50 30 JJEAMN COc1ccc(CN(Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]23)cc1OC ZINC000012864078 195160784 /nfs/dbraw/zinc/16/07/84/195160784.db2.gz OIAIVSIIVUZNCT-ZRKZBGBHSA-N 0 1 495.616 4.826 50 30 biogenic JJEAMN CC(=O)N(c1nc(C=CC(=O)Nc2nc(-c3cccc(C)n3)n[nH]2)cs1)c1ccccc1F ZINC000096316179 130058712 /nfs/dbraw/zinc/05/87/12/130058712.db2.gz KPBYATMARUWKJX-KHPPLWFESA-N 0 1 463.498 4.757 50 30 JJEAMN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102374175 130124064 /nfs/dbraw/zinc/12/40/64/130124064.db2.gz GHSZROCWFZODJL-ZHHPLPSFSA-N 0 1 479.964 4.836 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102513584 130167322 /nfs/dbraw/zinc/16/73/22/130167322.db2.gz ZKISRWHQFILSCZ-NHFXJNLRSA-N 0 1 462.483 4.533 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(C)cc2)no1 ZINC000102513622 130167389 /nfs/dbraw/zinc/16/73/89/130167389.db2.gz AOPISQIKKWYDPQ-LFVOPCPISA-N 0 1 453.292 4.680 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccco2)cc1 ZINC000102514065 130167560 /nfs/dbraw/zinc/16/75/60/130167560.db2.gz CIIWCDBCFMHHRB-LFVOPCPISA-N 0 1 496.541 4.636 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102514385 130167591 /nfs/dbraw/zinc/16/75/91/130167591.db2.gz HRBHLIJLIAYKEB-ZLYDLHQSSA-N 0 1 499.563 4.657 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102516861 130170023 /nfs/dbraw/zinc/17/00/23/130170023.db2.gz KTOQKVFXMNJCGO-AYWGPLOBSA-N 0 1 479.964 4.837 50 30 JJEAMN COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102516669 130170089 /nfs/dbraw/zinc/17/00/89/130170089.db2.gz YQJUNFMUVIMZAQ-WOOAAIBNSA-N 0 1 450.447 4.663 50 30 JJEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(C)cc3)oc21 ZINC000102523442 130175635 /nfs/dbraw/zinc/17/56/35/130175635.db2.gz HHMUXOMMWZCQHL-ZHHPLPSFSA-N 0 1 454.482 4.767 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000102563120 130210859 /nfs/dbraw/zinc/21/08/59/130210859.db2.gz MXTJUMZCUZDGIB-AYWGPLOBSA-N 0 1 461.901 4.733 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102590140 130218289 /nfs/dbraw/zinc/21/82/89/130218289.db2.gz FLNPSZSOFKDRKE-QJGVGSKSSA-N 0 1 452.919 4.746 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102645982 130229676 /nfs/dbraw/zinc/22/96/76/130229676.db2.gz JZOLGWIMIHCPKK-OTQMSCLFSA-N 0 1 484.508 4.583 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccnc3)ccc2O1 ZINC000102676781 130235935 /nfs/dbraw/zinc/23/59/35/130235935.db2.gz OUPWHYWHRRZCOI-WKHTWXOLSA-N 0 1 487.512 4.780 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102710824 130257252 /nfs/dbraw/zinc/25/72/52/130257252.db2.gz NFJMMFUNVDPDMU-YDJIHCHBSA-N 0 1 483.318 4.771 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000102715490 130261623 /nfs/dbraw/zinc/26/16/23/130261623.db2.gz FDMVKZRIJKTVHE-CJJGVWJISA-N 0 1 488.559 4.696 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102735165 130279758 /nfs/dbraw/zinc/27/97/58/130279758.db2.gz CPBJEEVCZKVDDL-CIKQMSCWSA-N 0 1 470.481 4.540 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102735249 130279787 /nfs/dbraw/zinc/27/97/87/130279787.db2.gz NRMQHOGQBHVZPJ-RPUIFAKWSA-N 0 1 470.481 4.540 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccs2)nc1C ZINC000102798768 130307356 /nfs/dbraw/zinc/30/73/56/130307356.db2.gz XHNCVHXSKFLRPB-HVESIFNPSA-N 0 1 468.556 4.624 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102862393 130334554 /nfs/dbraw/zinc/33/45/54/130334554.db2.gz OZQRCFCPYYFNPG-NPJIAGGLSA-N 0 1 472.541 4.891 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000102876361 130348137 /nfs/dbraw/zinc/34/81/37/130348137.db2.gz NUJFSZIOAZGBQK-ZHHPLPSFSA-N 0 1 470.997 4.811 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102876848 130349413 /nfs/dbraw/zinc/34/94/13/130349413.db2.gz WQFDQKNXPQUVFW-SELCWUDQSA-N 0 1 498.582 4.715 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102877908 130351788 /nfs/dbraw/zinc/35/17/88/130351788.db2.gz WBAHCJNQQFWYOB-LFVOPCPISA-N 0 1 450.447 4.663 50 30 JJEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102882796 130362219 /nfs/dbraw/zinc/36/22/19/130362219.db2.gz SSQMDHCJKLABEX-CIKQMSCWSA-N 0 1 459.498 4.624 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102886268 130367469 /nfs/dbraw/zinc/36/74/69/130367469.db2.gz PUNATKNTOKWNCV-CJJGVWJISA-N 0 1 485.536 4.521 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102886270 130367585 /nfs/dbraw/zinc/36/75/85/130367585.db2.gz PUNATKNTOKWNCV-CZNAVJSXSA-N 0 1 485.536 4.521 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000102888001 130369259 /nfs/dbraw/zinc/36/92/59/130369259.db2.gz PTRWXMZJHVNNII-NPJIAGGLSA-N 0 1 488.540 4.508 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccccc3)cc2)c1 ZINC000102890218 130371520 /nfs/dbraw/zinc/37/15/20/130371520.db2.gz BWZUWHNZXDGMPM-CJJGVWJISA-N 0 1 470.569 4.557 50 30 JJEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C ZINC000016193361 518970721 /nfs/dbraw/zinc/97/07/21/518970721.db2.gz KPNJCWOYRDPPRZ-XMMPIXPASA-N 0 1 456.546 4.822 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304645 518986471 /nfs/dbraw/zinc/98/64/71/518986471.db2.gz BDBZPQJKJQVJHJ-DEOSSOPVSA-N 0 1 477.605 4.757 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C1CCCCC1 ZINC000036207107 518995181 /nfs/dbraw/zinc/99/51/81/518995181.db2.gz SJFLMTWBFWZOGW-OAQYLSRUSA-N 0 1 481.662 4.967 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009240326 519022979 /nfs/dbraw/zinc/02/29/79/519022979.db2.gz SYQORLFHLYSAPO-RUZDIDTESA-N 0 1 470.525 4.824 50 30 JJEAMN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 ZINC000009846052 519043474 /nfs/dbraw/zinc/04/34/74/519043474.db2.gz ZHOIBIPOFLNPKT-KEBDBYFISA-N 0 1 490.217 4.527 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2C)cc1OC ZINC000011915272 519046356 /nfs/dbraw/zinc/04/63/56/519046356.db2.gz BJADAXISTPOYLT-QHCPKHFHSA-N 0 1 451.519 4.503 50 30 JJEAMN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009374018 519675649 /nfs/dbraw/zinc/67/56/49/519675649.db2.gz ZXAGDKDKVOAOGN-SIBVEZHUSA-N 0 1 492.616 4.575 50 30 JJEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009454636 519839531 /nfs/dbraw/zinc/83/95/31/519839531.db2.gz FHOIPLIWGWXRJY-XMMPIXPASA-N 0 1 459.498 4.953 50 30 JJEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000009312544 520257813 /nfs/dbraw/zinc/25/78/13/520257813.db2.gz BPYCVHIWZUJMFO-AVRWGWEMSA-N 0 1 479.573 4.804 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009235391 520330243 /nfs/dbraw/zinc/33/02/43/520330243.db2.gz WJVULUHYLQJFPA-JOCHJYFZSA-N 0 1 459.458 4.562 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000009411200 520331285 /nfs/dbraw/zinc/33/12/85/520331285.db2.gz ZNXUMLSZDWNUDF-XMMPIXPASA-N 0 1 488.540 4.666 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009461031 520331433 /nfs/dbraw/zinc/33/14/33/520331433.db2.gz XCQAGHBFRXZWKF-QFIPXVFZSA-N 0 1 459.458 4.562 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000016737362 520421564 /nfs/dbraw/zinc/42/15/64/520421564.db2.gz HWUVSIXRVSSMSU-XMMPIXPASA-N 0 1 477.513 4.864 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000009123441 520467428 /nfs/dbraw/zinc/46/74/28/520467428.db2.gz PUEUOGSFYXPSBJ-RUZDIDTESA-N 0 1 489.572 4.739 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000009379787 520774724 /nfs/dbraw/zinc/77/47/24/520774724.db2.gz RISDROIYTQOBTK-RUZDIDTESA-N 0 1 497.588 4.749 50 30 JJEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)c1[O-] ZINC000004150745 520787327 /nfs/dbraw/zinc/78/73/27/520787327.db2.gz FBQNWNUOYQPZJM-LGJNPRDNSA-N 0 1 462.531 4.941 50 30 JJEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)c1[O-] ZINC000004150745 520787336 /nfs/dbraw/zinc/78/73/36/520787336.db2.gz FBQNWNUOYQPZJM-LGJNPRDNSA-N 0 1 462.531 4.941 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009160915 520861943 /nfs/dbraw/zinc/86/19/43/520861943.db2.gz ZWKWUZUHESYDCL-DEOSSOPVSA-N 0 1 458.514 4.745 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2)cc1Cl ZINC000016733952 520881692 /nfs/dbraw/zinc/88/16/92/520881692.db2.gz XLJVUIKVVWVNDQ-HSZRJFAPSA-N 0 1 478.932 4.921 50 30 JJEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009464943 520894338 /nfs/dbraw/zinc/89/43/38/520894338.db2.gz IWFYAXSUTMLCNK-JOCHJYFZSA-N 0 1 466.490 4.855 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000016736411 521265471 /nfs/dbraw/zinc/26/54/71/521265471.db2.gz QDGJLDAJIFGERH-NRFANRHFSA-N 0 1 491.525 4.783 50 30 JJEAMN CCCCc1ccc(CC2S/C(=N/N=C/c3ccc(OC(C)C)c(OC)c3)NC2=O)cc1 ZINC000011690594 521273399 /nfs/dbraw/zinc/27/33/99/521273399.db2.gz DHORUHHAEAMLCS-LRULAXNGSA-N 0 1 453.608 4.989 50 30 JJEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Cl)c2)c1C ZINC000009280879 521360510 /nfs/dbraw/zinc/36/05/10/521360510.db2.gz WWGYTCTZBCFTRE-QFIPXVFZSA-N 0 1 493.947 4.635 50 30 JJEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009424529 521425376 /nfs/dbraw/zinc/42/53/76/521425376.db2.gz STGZQEYPKUZQCD-GYCJOSAFSA-N 0 1 459.498 4.780 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000009453473 522953838 /nfs/dbraw/zinc/95/38/38/522953838.db2.gz FSHWXHXYKODYKS-FQEVSTJZSA-N 0 1 498.532 4.708 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000009014929 522954078 /nfs/dbraw/zinc/95/40/78/522954078.db2.gz YHOCHBQQNZVUFM-IBGZPJMESA-N 0 1 499.317 4.551 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009312982 522955495 /nfs/dbraw/zinc/95/54/95/522955495.db2.gz RCBKGRHRMFOMOX-LMKMVOKYSA-N 0 1 471.509 4.503 50 30 JJEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+](C)Cc3ccccc3)C2=O)c(OC)c1OC ZINC000020610596 523422882 /nfs/dbraw/zinc/42/28/82/523422882.db2.gz KBGZCJVGRLCYBF-UCQKPKSFSA-N 0 1 461.514 4.666 50 30 biogenic JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009009015 523561905 /nfs/dbraw/zinc/56/19/05/523561905.db2.gz IVLABLYRTFOIIE-OAQYLSRUSA-N 0 1 479.330 4.631 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000009506820 523563010 /nfs/dbraw/zinc/56/30/10/523563010.db2.gz ZYZNZSNETYTUQE-JOCHJYFZSA-N 0 1 464.905 4.531 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000001446540 523565927 /nfs/dbraw/zinc/56/59/27/523565927.db2.gz FDWQRVODUBWQJV-NRFANRHFSA-N 0 1 479.330 4.631 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000009312230 523795764 /nfs/dbraw/zinc/79/57/64/523795764.db2.gz NDNOCORJUIXTKJ-WINIVTDRSA-N 0 1 499.563 4.814 50 30 JJEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000009360193 524021078 /nfs/dbraw/zinc/02/10/78/524021078.db2.gz JBTPRLISMHXIBH-XMMPIXPASA-N 0 1 487.556 4.715 50 30 JJEAMN Cc1cccc(N2CCN(c3nc4ccccc4nc3C(C#N)S(=O)(=O)c3ccccc3)CC2)c1C ZINC000009240676 524562438 /nfs/dbraw/zinc/56/24/38/524562438.db2.gz LONRXGWKKRTBEW-AREMUKBSSA-N 0 1 497.624 4.612 50 30 JJEAMN Cc1cccc(N2CCN(c3nc4ccccc4nc3C(C#N)C(=O)NC3CCCCC3)CC2)c1C ZINC000009075889 524563380 /nfs/dbraw/zinc/56/33/80/524563380.db2.gz MICXSTBCQNYEHS-HSZRJFAPSA-N 0 1 482.632 4.629 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009008809 524892132 /nfs/dbraw/zinc/89/21/32/524892132.db2.gz BUTGSMZRKOHHAR-JOCHJYFZSA-N 0 1 464.905 4.531 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(C)cc2)no1 ZINC000009462843 525048690 /nfs/dbraw/zinc/04/86/90/525048690.db2.gz SORZMVGSXOUVRI-IBGZPJMESA-N 0 1 453.292 4.837 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000009177977 525376909 /nfs/dbraw/zinc/37/69/09/525376909.db2.gz MQLQMCTXDAYLDF-SANMLTNESA-N 0 1 488.559 4.853 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000009177977 525376918 /nfs/dbraw/zinc/37/69/18/525376918.db2.gz MQLQMCTXDAYLDF-SANMLTNESA-N 0 1 488.559 4.853 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009292671 525389379 /nfs/dbraw/zinc/38/93/79/525389379.db2.gz DHOGDKJYUDMSDI-QYBDOPJKSA-N 0 1 469.537 4.840 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009313272 525517743 /nfs/dbraw/zinc/51/77/43/525517743.db2.gz YLGFCMJGGRHKHT-DWXRJYCRSA-N 0 1 468.553 4.855 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009331805 525518567 /nfs/dbraw/zinc/51/85/67/525518567.db2.gz LOGURDIKTHQRQL-CWTRNNRKSA-N 0 1 452.919 4.903 50 30 JJEAMN Cc1c(S(=O)(=O)Nc2ccc(C#N)cc2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000065008853 525887896 /nfs/dbraw/zinc/88/78/96/525887896.db2.gz RDTJCEQXGSXZPM-UHFFFAOYSA-N 0 1 452.536 4.936 50 30 JJEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)ccc1OCC(C)C ZINC000009271845 526197927 /nfs/dbraw/zinc/19/79/27/526197927.db2.gz PTMSQMXUXHAFOS-XMMPIXPASA-N 0 1 457.530 4.598 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000009272952 526268719 /nfs/dbraw/zinc/26/87/19/526268719.db2.gz GGMBCJLEYIQFCH-IEBWSBKVSA-N 0 1 476.754 4.860 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000009008867 526270790 /nfs/dbraw/zinc/27/07/90/526270790.db2.gz VPPGBGUDIBBOSD-IBGZPJMESA-N 0 1 498.264 4.674 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000008739567 526354114 /nfs/dbraw/zinc/35/41/14/526354114.db2.gz OAPSFPJBWIOTIS-LJQANCHMSA-N 0 1 453.495 4.556 50 30 JJEAMN Cc1nc2ccccc2c(=O)n1/N=C/c1c2c(cc(Br)c1O)oc1c2CCCC1 ZINC000002316026 527158377 /nfs/dbraw/zinc/15/83/77/527158377.db2.gz IFWAWLSAVHWHFG-BHGWPJFGSA-N 0 1 452.308 4.680 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102869774 534968580 /nfs/dbraw/zinc/96/85/80/534968580.db2.gz VRIXIOZNYZDTDX-JBCNATCCSA-N 0 1 477.388 4.764 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102483303 535283801 /nfs/dbraw/zinc/28/38/01/535283801.db2.gz NFCPZANCSWHEHJ-AYWGPLOBSA-N 0 1 479.964 4.837 50 30 JJEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102877075 535327439 /nfs/dbraw/zinc/32/74/39/535327439.db2.gz GFSSYJZVJSEVCH-MOBKVPTQSA-N 0 1 450.466 4.927 50 30 JJEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102770895 535373795 /nfs/dbraw/zinc/37/37/95/535373795.db2.gz ZECLMPHUAZQMKE-HUPAGYGUSA-N 0 1 485.584 4.842 50 30 JJEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102866240 535442868 /nfs/dbraw/zinc/44/28/68/535442868.db2.gz JZPYHWNIZJQFFB-JBCNATCCSA-N 0 1 476.510 4.923 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102879075 536565526 /nfs/dbraw/zinc/56/55/26/536565526.db2.gz DIHYVADPYMNWRM-CZNAVJSXSA-N 0 1 486.568 4.779 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102506151 536566296 /nfs/dbraw/zinc/56/62/96/536566296.db2.gz UEKHLSYICLUMBV-MRJHHRETSA-N 0 1 486.355 4.711 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102533851 536854480 /nfs/dbraw/zinc/85/44/80/536854480.db2.gz SALWAXGMNGMGTO-NXLSWJSLSA-N 0 1 459.498 4.556 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccs1 ZINC000102714810 536854932 /nfs/dbraw/zinc/85/49/32/536854932.db2.gz YNBSSKCMPIVEGH-AYWGPLOBSA-N 0 1 463.555 4.704 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccs1 ZINC000102721907 536855049 /nfs/dbraw/zinc/85/50/49/536855049.db2.gz OUNMEWZZOQSWIH-AYWGPLOBSA-N 0 1 463.555 4.704 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000000626271 553714361 /nfs/dbraw/zinc/71/43/61/553714361.db2.gz RYSWSMMAXKRAEU-QHCPKHFHSA-N 0 1 479.554 4.595 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000000702729 553761699 /nfs/dbraw/zinc/76/16/99/553761699.db2.gz CXLQLYHHHBMHMZ-CTNGQTDRSA-N 0 1 486.362 4.605 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000000724036 553773566 /nfs/dbraw/zinc/77/35/66/553773566.db2.gz ULBYDEVKQMONLC-SFHVURJKSA-N 0 1 498.944 4.683 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000001120931 553911459 /nfs/dbraw/zinc/91/14/59/553911459.db2.gz DLONHYBBLAGCRH-LJQANCHMSA-N 0 1 456.267 4.960 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000001145335 553916040 /nfs/dbraw/zinc/91/60/40/553916040.db2.gz CLWSTTHPIYMTTO-VWLOTQADSA-N 0 1 488.540 4.584 50 30 JJEAMN COc1cc(/C=N/N=C2/NC(=O)C(Cc3ccc(F)cc3)S2)ccc1OCc1ccccc1 ZINC000001151616 553917123 /nfs/dbraw/zinc/91/71/23/553917123.db2.gz IPKSGMNBPIDJRK-HGQHNSGJSA-N 0 1 463.534 4.578 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000001154305 553918006 /nfs/dbraw/zinc/91/80/06/553918006.db2.gz PUDIBMMZZOGPAA-HSZRJFAPSA-N 0 1 479.964 4.992 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc(O)c2)cc1 ZINC000001413533 553968375 /nfs/dbraw/zinc/96/83/75/553968375.db2.gz ZWOZHZJBBFHULO-RUZDIDTESA-N 0 1 468.509 4.703 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001414751 553969057 /nfs/dbraw/zinc/96/90/57/553969057.db2.gz NMMGBFHRVSDJRO-VWLOTQADSA-N 0 1 486.499 4.842 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccco3)sc2c1 ZINC000001451980 553974092 /nfs/dbraw/zinc/97/40/92/553974092.db2.gz BWBQKRLGLWFPBD-NRFANRHFSA-N 0 1 476.510 4.998 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000001454471 553974510 /nfs/dbraw/zinc/97/45/10/553974510.db2.gz TZLLPWMGBODRET-DEOSSOPVSA-N 0 1 458.514 4.576 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000001481273 553977284 /nfs/dbraw/zinc/97/72/84/553977284.db2.gz RONBJCWGBMETCC-LJQANCHMSA-N 0 1 496.516 4.559 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000001481222 553977393 /nfs/dbraw/zinc/97/73/93/553977393.db2.gz HNWVOCCGGRPDRX-IBGZPJMESA-N 0 1 496.516 4.559 50 30 JJEAMN CCOC(=O)[C@](NC(=O)c1c(F)cccc1F)(Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000002050585 554010864 /nfs/dbraw/zinc/01/08/64/554010864.db2.gz GIXWPXBJSOGGOS-QGZVFWFLSA-N 0 1 470.316 4.647 50 30 JJEAMN C[C@@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000002337358 554154558 /nfs/dbraw/zinc/15/45/58/554154558.db2.gz KCHJLGPZGNDIDD-HYBUGGRVSA-N 0 1 494.574 4.580 50 30 JJEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(Cc2ccco2)C2=C1C(=O)CC(C)(C)C2 ZINC000002492038 554227323 /nfs/dbraw/zinc/22/73/23/554227323.db2.gz HLCIJUNESBWBKC-RUZDIDTESA-N 0 1 499.489 4.553 50 30 JJEAMN FC(F)c1n[nH]c(=S)n1N=Cc1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000002790240 554346119 /nfs/dbraw/zinc/34/61/19/554346119.db2.gz NFAJKFZWOOGKFF-CGOBSMCZSA-N 0 1 463.691 4.975 50 30 JJEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)F)cc1COc1ccc(Br)cc1 ZINC000002791125 554346784 /nfs/dbraw/zinc/34/67/84/554346784.db2.gz PWIYMEWGYPWWPC-LSFURLLWSA-N 0 1 469.311 4.737 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000004126055 554475733 /nfs/dbraw/zinc/47/57/33/554475733.db2.gz FWDUKZXMUCOAHN-DEOSSOPVSA-N 0 1 458.489 4.872 50 30 JJEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1 ZINC000008383827 554567032 /nfs/dbraw/zinc/56/70/32/554567032.db2.gz IQIVOFCJOCPMBC-IQGLISFBSA-N 0 1 479.573 4.804 50 30 JJEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)cc1 ZINC000008383815 554567082 /nfs/dbraw/zinc/56/70/82/554567082.db2.gz IQIVOFCJOCPMBC-AVRWGWEMSA-N 0 1 479.573 4.804 50 30 JJEAMN COc1ccc([C@@H]2C(C(C)=O)C(Nc3ccc(Br)cc3)=C[C@@](C)(O)[C@H]2C(C)=O)cc1 ZINC000008424885 554580005 /nfs/dbraw/zinc/58/00/05/554580005.db2.gz FFFRFJNTNOZHDD-TZRRMPRUSA-N 0 1 472.379 4.856 50 30 JJEAMN N#Cc1ccccc1Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000008451345 554597408 /nfs/dbraw/zinc/59/74/08/554597408.db2.gz JUIKPLCOWOKHPL-QRVIBDJDSA-N 0 1 480.524 4.532 50 30 JJEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 ZINC000008738009 554639498 /nfs/dbraw/zinc/63/94/98/554639498.db2.gz SITUWUXEWWTTPC-SFHVURJKSA-N 0 1 455.333 4.684 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008739416 554641241 /nfs/dbraw/zinc/64/12/41/554641241.db2.gz JVBHWWDETOEACI-QGZVFWFLSA-N 0 1 476.341 4.945 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008740975 554643224 /nfs/dbraw/zinc/64/32/24/554643224.db2.gz ASTCJWOMLHVLMP-XMMPIXPASA-N 0 1 458.514 4.658 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)nc1C ZINC000008779293 554676148 /nfs/dbraw/zinc/67/61/48/554676148.db2.gz YNZPZNYMRLRGFJ-QGZVFWFLSA-N 0 1 468.556 4.781 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccs2)nc1C ZINC000008779322 554676506 /nfs/dbraw/zinc/67/65/06/554676506.db2.gz ZRISLVBMOSUDFG-AWEZNQCLSA-N 0 1 460.558 4.534 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008779300 554676587 /nfs/dbraw/zinc/67/65/87/554676587.db2.gz GASZGXNPCVLXBP-INIZCTEOSA-N 0 1 472.519 4.612 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000008817981 554701216 /nfs/dbraw/zinc/70/12/16/554701216.db2.gz VWMOKENAXXTSGV-QGZVFWFLSA-N 0 1 486.908 4.814 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000008818097 554701523 /nfs/dbraw/zinc/70/15/23/554701523.db2.gz CKQHKAKZUVKLLU-XMMPIXPASA-N 0 1 476.598 4.775 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000008827361 554717323 /nfs/dbraw/zinc/71/73/23/554717323.db2.gz NHSGQEZPGRNISL-HSZRJFAPSA-N 0 1 479.964 4.912 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000008837347 554738150 /nfs/dbraw/zinc/73/81/50/554738150.db2.gz MOJZVMSPCNGZDC-KRWDZBQOSA-N 0 1 471.332 4.697 50 30 JJEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000008845448 554742626 /nfs/dbraw/zinc/74/26/26/554742626.db2.gz GOLAQTYORYVUOT-HHHXNRCGSA-N 0 1 482.540 4.886 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008894817 554784193 /nfs/dbraw/zinc/78/41/93/554784193.db2.gz SGNIWSOQVKMYAU-HSZRJFAPSA-N 0 1 478.501 4.570 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008915077 554808437 /nfs/dbraw/zinc/80/84/37/554808437.db2.gz NXQKCXJYRYFASB-OAQYLSRUSA-N 0 1 450.878 4.984 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2ccccc2)nc1C ZINC000008987189 554849936 /nfs/dbraw/zinc/84/99/36/554849936.db2.gz IMVGENBYPWFOGL-FQEVSTJZSA-N 0 1 492.553 4.810 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008996481 554857156 /nfs/dbraw/zinc/85/71/56/554857156.db2.gz JEJJUBOYYSCMKT-OAQYLSRUSA-N 0 1 480.362 4.623 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008996482 554857405 /nfs/dbraw/zinc/85/74/05/554857405.db2.gz JEJJUBOYYSCMKT-NRFANRHFSA-N 0 1 480.362 4.623 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009007679 554861049 /nfs/dbraw/zinc/86/10/49/554861049.db2.gz TWZBBKHDIWXHCN-SFHVURJKSA-N 0 1 498.944 4.683 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009461297 555228595 /nfs/dbraw/zinc/22/85/95/555228595.db2.gz LZZMWOGYDPYEKR-JOCHJYFZSA-N 0 1 460.442 4.529 50 30 JJEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000013551339 555492009 /nfs/dbraw/zinc/49/20/09/555492009.db2.gz PMHTYPLMUYYPMW-FQEVSTJZSA-N 0 1 499.317 4.546 50 30 JJEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000019997284 555577369 /nfs/dbraw/zinc/57/73/69/555577369.db2.gz VQHWIFWNELUCHP-XMMPIXPASA-N 0 1 483.008 4.764 50 30 JJEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)ccc1OCC(C)C ZINC000020100451 555633526 /nfs/dbraw/zinc/63/35/26/555633526.db2.gz HJFLDJACWFZCEB-HSZRJFAPSA-N 0 1 470.997 4.823 50 30 JJEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)ccc1OCC(C)C ZINC000020100451 555633528 /nfs/dbraw/zinc/63/35/28/555633528.db2.gz HJFLDJACWFZCEB-HSZRJFAPSA-N 0 1 470.997 4.823 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000020264007 555746209 /nfs/dbraw/zinc/74/62/09/555746209.db2.gz NRXLSKGEKHLETB-JOCHJYFZSA-N 0 1 470.997 4.786 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000024081456 556120605 /nfs/dbraw/zinc/12/06/05/556120605.db2.gz DNPFRQNGCGZUBR-VWLOTQADSA-N 0 1 462.590 4.823 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000024303408 556128794 /nfs/dbraw/zinc/12/87/94/556128794.db2.gz JADSTUOCKPFTMW-DEOSSOPVSA-N 0 1 450.579 4.657 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000024303408 556128796 /nfs/dbraw/zinc/12/87/96/556128796.db2.gz JADSTUOCKPFTMW-DEOSSOPVSA-N 0 1 450.579 4.657 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024303466 556128880 /nfs/dbraw/zinc/12/88/80/556128880.db2.gz HHOWEKLPTIKGID-DEOSSOPVSA-N 0 1 464.606 4.831 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000026896295 556265428 /nfs/dbraw/zinc/26/54/28/556265428.db2.gz XDMGULPJBODFHB-XMMPIXPASA-N 0 1 475.497 4.640 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000027527726 556289303 /nfs/dbraw/zinc/28/93/03/556289303.db2.gz VNKULUGHRDZLJG-ROTUXNKCSA-N 0 1 454.526 4.944 50 30 JJEAMN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=O)NC2CCCCC2)n1 ZINC000018222786 556312800 /nfs/dbraw/zinc/31/28/00/556312800.db2.gz AIDAOUVMDSTHCU-UHFFFAOYSA-N 0 1 468.005 4.871 50 30 JJEAMN COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000028616609 556336842 /nfs/dbraw/zinc/33/68/42/556336842.db2.gz KKNYGDAPDRFEST-NSHDSACASA-N 0 1 475.357 4.743 50 30 JJEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000008384352 562939017 /nfs/dbraw/zinc/93/90/17/562939017.db2.gz XMNYSDBTSFDAPN-LJQANCHMSA-N 0 1 453.520 4.710 50 30 JJEAMN CCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000032822162 563109803 /nfs/dbraw/zinc/10/98/03/563109803.db2.gz RJZVWDTYEWCUAR-JOCHJYFZSA-O 0 1 482.619 4.822 50 30 endogenous,in-man JJEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCOC)c1 ZINC000008384125 569589213 /nfs/dbraw/zinc/58/92/13/569589213.db2.gz NRNJVJGAUKWTRA-DEOSSOPVSA-N 0 1 467.562 4.879 50 30 JJEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000008384157 569589225 /nfs/dbraw/zinc/58/92/25/569589225.db2.gz LFJCSDQEUZGXOJ-FQEVSTJZSA-N 0 1 467.522 4.947 50 30 JJEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008695050 569593499 /nfs/dbraw/zinc/59/34/99/569593499.db2.gz LJNVEMBCMNTBDO-RUZDIDTESA-N 0 1 476.617 4.593 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000008737832 569602123 /nfs/dbraw/zinc/60/21/23/569602123.db2.gz VAUAJTXLMOVJPA-MRXNPFEDSA-N 0 1 472.906 4.576 50 30 JJEAMN CCCCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccc(OC)cc2)C1=O ZINC000034367175 569640010 /nfs/dbraw/zinc/64/00/10/569640010.db2.gz PTTVGUDRVWHQJS-JYAWBRCSSA-N 0 1 455.580 4.737 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000095483290 569725147 /nfs/dbraw/zinc/72/51/47/569725147.db2.gz CSGQZSHDBKVAJJ-JOCHJYFZSA-N 0 1 470.522 4.543 50 30 JJEAMN C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](NS(=O)(=O)c1cccc2cccnc21)c1ccnc2ccccc21 ZINC000096029571 569732122 /nfs/dbraw/zinc/73/21/22/569732122.db2.gz RNPQJTUCXSVJMB-YTVPYFAMSA-N 0 1 484.625 4.699 50 30 JJEAMN C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](NS(=O)(=O)c1cccc2cccnc21)c1ccnc2ccccc21 ZINC000096029571 569732123 /nfs/dbraw/zinc/73/21/23/569732123.db2.gz RNPQJTUCXSVJMB-YTVPYFAMSA-N 0 1 484.625 4.699 50 30 JJEAMN C#CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036316535 569763263 /nfs/dbraw/zinc/76/32/63/569763263.db2.gz XKHGZIVDRYQHMJ-XMMPIXPASA-N 0 1 477.580 4.589 50 30 JJEAMN C=CCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340046 569763542 /nfs/dbraw/zinc/76/35/42/569763542.db2.gz DUYVJGWHVIPOEX-AREMUKBSSA-N 0 1 486.660 4.638 50 30 JJEAMN C=CCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2C)CC1 ZINC000036340148 569763632 /nfs/dbraw/zinc/76/36/32/569763632.db2.gz BMVDAZXQXHPAEA-AREMUKBSSA-N 0 1 456.634 4.800 50 30 JJEAMN C=CCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000036340576 569764004 /nfs/dbraw/zinc/76/40/04/569764004.db2.gz HFLJPONGQKTFAN-SANMLTNESA-N 0 1 456.634 4.800 50 30 JJEAMN C=CCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340840 569764010 /nfs/dbraw/zinc/76/40/10/569764010.db2.gz RIDAXTWIYYYFTI-XMMPIXPASA-N 0 1 474.624 4.885 50 30 JJEAMN C=C[C@](C)(O)CN(CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346834 569771041 /nfs/dbraw/zinc/77/10/41/569771041.db2.gz AOWSGOIJQJOASL-VWLOTQADSA-N 0 1 457.521 4.637 50 30 JJEAMN Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)s1 ZINC000101072468 569781462 /nfs/dbraw/zinc/78/14/62/569781462.db2.gz STFAPHWZLXFTQU-GHNGSUTGSA-N 0 1 484.375 4.539 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000101104132 569782987 /nfs/dbraw/zinc/78/29/87/569782987.db2.gz DJCKFZMVARPDFG-LCPUNJGISA-N 0 1 479.286 4.984 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000101287840 569789696 /nfs/dbraw/zinc/78/96/96/569789696.db2.gz BCVZZFDJKNRUQJ-WOOAAIBNSA-N 0 1 452.919 4.988 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000101293863 569789853 /nfs/dbraw/zinc/78/98/53/569789853.db2.gz CLCPTFNPEJJPLF-JBCNATCCSA-N 0 1 495.329 4.937 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101313584 569792249 /nfs/dbraw/zinc/79/22/49/569792249.db2.gz WUAXQBDYWMFPIY-NPJIAGGLSA-N 0 1 470.525 4.667 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000101313849 569792431 /nfs/dbraw/zinc/79/24/31/569792431.db2.gz XDGYQKDNUYRBLO-IOUQRVAPSA-N 0 1 482.536 4.592 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101502782 569800956 /nfs/dbraw/zinc/80/09/56/569800956.db2.gz ACTZIBRJFOVQRB-MOBKVPTQSA-N 0 1 491.887 4.833 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101502777 569801066 /nfs/dbraw/zinc/80/10/66/569801066.db2.gz MCHUGXBIEYXVDJ-MOBKVPTQSA-N 0 1 491.887 4.833 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101864245 569806509 /nfs/dbraw/zinc/80/65/09/569806509.db2.gz LIAGXIVRRHQKPK-NXLSWJSLSA-N 0 1 487.512 4.647 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102861723 569824909 /nfs/dbraw/zinc/82/49/09/569824909.db2.gz NHGZKEIROAQUQU-LFVOPCPISA-N 0 1 499.932 4.956 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102864127 569825338 /nfs/dbraw/zinc/82/53/38/569825338.db2.gz QDJLQVGMFUXBLB-HVESIFNPSA-N 0 1 455.333 4.840 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000102928262 569827083 /nfs/dbraw/zinc/82/70/83/569827083.db2.gz DKMVSFRSRWIUGV-CRJQIMHWSA-N 0 1 479.573 4.503 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102931614 569828432 /nfs/dbraw/zinc/82/84/32/569828432.db2.gz NLRIHDSLOQCIHZ-AYWGPLOBSA-N 0 1 470.997 4.845 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000105007494 569849970 /nfs/dbraw/zinc/84/99/70/569849970.db2.gz VDOUYLSVLOAYEW-RSXGOPAZSA-N 0 1 491.632 4.732 50 30 JJEAMN Oc1c(I)cc(Br)cc1C=NNc1cccc(Br)c1 ZINC000252617068 570086616 /nfs/dbraw/zinc/08/66/16/570086616.db2.gz KLPXEIRYTBVRSW-UHFFFAOYSA-N 0 1 495.940 4.968 50 30 JJEAMN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NN=C2NC(=O)C(C)S2)cc1Cl ZINC000252642013 570090514 /nfs/dbraw/zinc/09/05/14/570090514.db2.gz ZIDIPXMURACPDA-AWEZNQCLSA-N 0 1 487.990 4.511 50 30 JJEAMN N#CC(c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003289791 194266351 /nfs/dbraw/zinc/26/63/51/194266351.db2.gz QHUGUPZXWIHHOM-IBGZPJMESA-N 0 1 461.374 4.965 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000004650580 194393426 /nfs/dbraw/zinc/39/34/26/194393426.db2.gz OTKOEJVBHPGOPO-JOCHJYFZSA-N 0 1 451.450 4.610 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000096295621 130051181 /nfs/dbraw/zinc/05/11/81/130051181.db2.gz TUNJOQOCAIIDGQ-QHCPKHFHSA-N 0 1 477.948 4.770 50 30 JJEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000102401846 130125976 /nfs/dbraw/zinc/12/59/76/130125976.db2.gz CNVSDCJWQUTDDU-IUKMQXEJSA-N 0 1 470.525 4.598 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102436529 130131531 /nfs/dbraw/zinc/13/15/31/130131531.db2.gz ZZUITCGKXQTEJI-AYWGPLOBSA-N 0 1 451.563 4.759 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102507369 130161837 /nfs/dbraw/zinc/16/18/37/130161837.db2.gz ZPGISTMXJNRMKA-AYWGPLOBSA-N 0 1 451.563 4.759 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102522150 130174251 /nfs/dbraw/zinc/17/42/51/130174251.db2.gz FYQWNIMULKKARD-NKHPTUSLSA-N 0 1 453.538 4.983 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000102525825 130178305 /nfs/dbraw/zinc/17/83/05/130178305.db2.gz MEMNWOWTJRCJCZ-AYWGPLOBSA-N 0 1 479.964 4.837 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102534216 130188535 /nfs/dbraw/zinc/18/85/35/130188535.db2.gz YQORIEVFHQYPCS-MOBKVPTQSA-N 0 1 493.903 4.664 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000102540519 130195589 /nfs/dbraw/zinc/19/55/89/130195589.db2.gz JWTYGXYYPSGIIK-MRJHHRETSA-N 0 1 492.459 4.930 50 30 JJEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1 ZINC000102549978 130202728 /nfs/dbraw/zinc/20/27/28/130202728.db2.gz ZLDMUZBQAVTVBS-UUALVTFQSA-N 0 1 491.547 4.986 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102557032 130206222 /nfs/dbraw/zinc/20/62/22/130206222.db2.gz SYBHZCAESBYTTK-NXLSWJSLSA-N 0 1 492.528 4.804 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102602906 130221308 /nfs/dbraw/zinc/22/13/08/130221308.db2.gz KLQKDTFFISEMMX-MRJHHRETSA-N 0 1 468.893 4.670 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)nc1C ZINC000102614429 130224429 /nfs/dbraw/zinc/22/44/29/130224429.db2.gz GSZGJQQMDHVVCD-YDJIHCHBSA-N 0 1 492.553 4.652 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102666663 130235155 /nfs/dbraw/zinc/23/51/55/130235155.db2.gz FLNPSZSOFKDRKE-QPAAHAPSSA-N 0 1 452.919 4.746 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000102691847 130238998 /nfs/dbraw/zinc/23/89/98/130238998.db2.gz YXRPVXFQJMGDMR-SELCWUDQSA-N 0 1 498.582 4.715 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc(OC)c1OC ZINC000102706091 130251975 /nfs/dbraw/zinc/25/19/75/130251975.db2.gz DQTZZSDZMMGKAM-YDJIHCHBSA-N 0 1 492.509 4.541 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102709267 130255890 /nfs/dbraw/zinc/25/58/90/130255890.db2.gz IORQDCHQWBNZDW-YDJIHCHBSA-N 0 1 483.318 4.689 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102714709 130260883 /nfs/dbraw/zinc/26/08/83/130260883.db2.gz CTFGNUKEYXYIHX-YDJIHCHBSA-N 0 1 483.318 4.689 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102719603 130265622 /nfs/dbraw/zinc/26/56/22/130265622.db2.gz FYONEWUVFPKVFK-UYTDBDHRSA-N 0 1 488.974 4.969 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccccc3F)cc2)c1 ZINC000102734947 130279277 /nfs/dbraw/zinc/27/92/77/130279277.db2.gz SGFLWGQMDSFOCR-CZNAVJSXSA-N 0 1 488.559 4.696 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccccc3F)cc2)c1 ZINC000102734950 130279306 /nfs/dbraw/zinc/27/93/06/130279306.db2.gz SGFLWGQMDSFOCR-CJJGVWJISA-N 0 1 488.559 4.696 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102800086 130309013 /nfs/dbraw/zinc/30/90/13/130309013.db2.gz FZRWOHGFIHHHOX-SELCWUDQSA-N 0 1 482.945 4.908 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102803551 130311250 /nfs/dbraw/zinc/31/12/50/130311250.db2.gz NTTRVMYARXULDQ-WOOAAIBNSA-N 0 1 470.312 4.808 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102858312 130328170 /nfs/dbraw/zinc/32/81/70/130328170.db2.gz GJHIRXUDCFNTJV-LFVOPCPISA-N 0 1 480.542 4.971 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102858894 130329529 /nfs/dbraw/zinc/32/95/29/130329529.db2.gz XDDZBERWQZIMTA-WOOAAIBNSA-N 0 1 453.267 4.610 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102864347 130336075 /nfs/dbraw/zinc/33/60/75/130336075.db2.gz JSPGYKQKKJDRDI-JBCNATCCSA-N 0 1 476.510 4.923 50 30 JJEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000102873590 130344793 /nfs/dbraw/zinc/34/47/93/130344793.db2.gz QOIQZBXQNIIALE-GHNGSUTGSA-N 0 1 469.906 4.948 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102879952 130355214 /nfs/dbraw/zinc/35/52/14/130355214.db2.gz GBVDJNIGEGEVKW-NPJIAGGLSA-N 0 1 473.525 4.946 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102883746 130364462 /nfs/dbraw/zinc/36/44/62/130364462.db2.gz CQJZBVORCPZBRV-HOGKFDNTSA-N 0 1 466.490 4.636 50 30 JJEAMN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102889253 130370429 /nfs/dbraw/zinc/37/04/29/130370429.db2.gz YSWDHMKQGKVUSG-IUKMQXEJSA-N 0 1 455.510 4.642 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102926192 130397148 /nfs/dbraw/zinc/39/71/48/130397148.db2.gz VFUSSJHZUFXKOR-WOOAAIBNSA-N 0 1 493.522 4.901 50 30 JJEAMN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301847 518302165 /nfs/dbraw/zinc/30/21/65/518302165.db2.gz AHKCZMVYUYQFOW-DEOSSOPVSA-N 0 1 480.008 4.849 50 30 JJEAMN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(C)C ZINC000036303721 518302651 /nfs/dbraw/zinc/30/26/51/518302651.db2.gz JVBHIMSOHQSORS-QHCPKHFHSA-N 0 1 467.997 4.848 50 30 JJEAMN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301849 518310042 /nfs/dbraw/zinc/31/00/42/518310042.db2.gz AHKCZMVYUYQFOW-XMMPIXPASA-N 0 1 480.008 4.849 50 30 JJEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000009187638 518496737 /nfs/dbraw/zinc/49/67/37/518496737.db2.gz VHXBVEWQFZZYGZ-LAJNKCICSA-N 0 1 492.528 4.900 50 30 JJEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000009187565 518496920 /nfs/dbraw/zinc/49/69/20/518496920.db2.gz VHXBVEWQFZZYGZ-GTJPDFRWSA-N 0 1 492.528 4.900 50 30 JJEAMN C=CCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307445 518714841 /nfs/dbraw/zinc/71/48/41/518714841.db2.gz QILXFJBPCFVEQM-JOCHJYFZSA-N 0 1 453.558 4.794 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000016733253 519044304 /nfs/dbraw/zinc/04/43/04/519044304.db2.gz FZJUJJLVHHWJSS-HSZRJFAPSA-N 0 1 485.964 4.918 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000016737289 519059668 /nfs/dbraw/zinc/05/96/68/519059668.db2.gz RFLSBNWDKSVNPO-JOCHJYFZSA-N 0 1 491.569 4.983 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009403610 519060951 /nfs/dbraw/zinc/06/09/51/519060951.db2.gz NXNKWYHKCZYFGX-CRICUBBOSA-N 0 1 471.509 4.946 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009350456 519062673 /nfs/dbraw/zinc/06/26/73/519062673.db2.gz CGJVIUKPOVSPJA-QYBDOPJKSA-N 0 1 482.536 4.748 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009273024 519720756 /nfs/dbraw/zinc/72/07/56/519720756.db2.gz RRSAQFPEUULGND-QFIPXVFZSA-N 0 1 491.887 4.990 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009411321 519762355 /nfs/dbraw/zinc/76/23/55/519762355.db2.gz FDRDEQXLMJQNBU-DEOSSOPVSA-N 0 1 487.512 4.803 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009460761 519778530 /nfs/dbraw/zinc/77/85/30/519778530.db2.gz WSKIAMAXQNXAGW-OAQYLSRUSA-N 0 1 477.388 4.921 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009460761 519778531 /nfs/dbraw/zinc/77/85/31/519778531.db2.gz WSKIAMAXQNXAGW-OAQYLSRUSA-N 0 1 477.388 4.921 50 30 JJEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000009292737 519840273 /nfs/dbraw/zinc/84/02/73/519840273.db2.gz ZLAQDVYDXXWNPA-VWLOTQADSA-N 0 1 470.525 4.755 50 30 JJEAMN CCCCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(OC)c3)S2)cc1OC ZINC000012042393 520103904 /nfs/dbraw/zinc/10/39/04/520103904.db2.gz KZPHPPSZAUNLQZ-NWJFTTBMSA-N 0 1 469.607 4.827 50 30 JJEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020444183 520258141 /nfs/dbraw/zinc/25/81/41/520258141.db2.gz KFRJCXCZJYNPMZ-SIBVEZHUSA-N 0 1 492.616 4.719 50 30 JJEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009329054 520258714 /nfs/dbraw/zinc/25/87/14/520258714.db2.gz HYNKXEUWXFFNCU-ONLXDWTESA-N 0 1 492.616 4.562 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000016156150 520330479 /nfs/dbraw/zinc/33/04/79/520330479.db2.gz CETZUEYNDSXHNI-DEOSSOPVSA-N 0 1 487.512 4.866 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000009993896 520331485 /nfs/dbraw/zinc/33/14/85/520331485.db2.gz ZUUYZHJDYPYHLM-RUZDIDTESA-N 0 1 472.541 4.966 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000016806146 520422540 /nfs/dbraw/zinc/42/25/40/520422540.db2.gz SHLDBJZXEPVDEM-RUZDIDTESA-N 0 1 488.540 4.666 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000016733767 520432031 /nfs/dbraw/zinc/43/20/31/520432031.db2.gz FGSKNJXWZAMURZ-NRFANRHFSA-N 0 1 488.378 4.853 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000009380444 520783396 /nfs/dbraw/zinc/78/33/96/520783396.db2.gz RISDROIYTQOBTK-VWLOTQADSA-N 0 1 497.588 4.749 50 30 JJEAMN CCOC(=O)COc1ccc2c(c1)C(=NNC(=S)Nc1ccccc1SC)CC(C)(C)O2 ZINC000020685244 520806069 /nfs/dbraw/zinc/80/60/69/520806069.db2.gz IPPOKTDQZFRHTB-XIEYBQDHSA-N 0 1 473.620 4.602 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009008572 520860173 /nfs/dbraw/zinc/86/01/73/520860173.db2.gz GAAUDFBBERMASQ-DEOSSOPVSA-N 0 1 483.561 4.503 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCC)cc2)cc1C ZINC000016700544 520860283 /nfs/dbraw/zinc/86/02/83/520860283.db2.gz PVZOIBVNALUVMA-VWLOTQADSA-N 0 1 480.605 4.713 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCC)cc2)cc1C ZINC000016700544 520860291 /nfs/dbraw/zinc/86/02/91/520860291.db2.gz PVZOIBVNALUVMA-VWLOTQADSA-N 0 1 480.605 4.713 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(F)cc2)cc1C ZINC000009380111 520860986 /nfs/dbraw/zinc/86/09/86/520860986.db2.gz YAYDFDIFBNWSRC-HSZRJFAPSA-N 0 1 455.526 4.928 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)cc2)cc1Cl ZINC000009308860 520876767 /nfs/dbraw/zinc/87/67/67/520876767.db2.gz QAQHDSSPSVAEMP-HSZRJFAPSA-N 0 1 495.963 4.612 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009333750 520880493 /nfs/dbraw/zinc/88/04/93/520880493.db2.gz KCWHPLFUBKOQMI-HXUWFJFHSA-N 0 1 479.514 4.850 50 30 JJEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000016701276 520894362 /nfs/dbraw/zinc/89/43/62/520894362.db2.gz ICNSNLFHJOOFKL-RUZDIDTESA-N 0 1 497.588 4.806 50 30 JJEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009374881 520895249 /nfs/dbraw/zinc/89/52/49/520895249.db2.gz NVAQNDSXLYTWLI-OAQYLSRUSA-N 0 1 452.463 4.546 50 30 JJEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009464946 520896380 /nfs/dbraw/zinc/89/63/80/520896380.db2.gz IWFYAXSUTMLCNK-QFIPXVFZSA-N 0 1 466.490 4.855 50 30 JJEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000016701273 520897784 /nfs/dbraw/zinc/89/77/84/520897784.db2.gz ICNSNLFHJOOFKL-VWLOTQADSA-N 0 1 497.588 4.806 50 30 JJEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000009353979 520908632 /nfs/dbraw/zinc/90/86/32/520908632.db2.gz CPXUXTHKXQVWMD-BVZFJXPGSA-N 0 1 479.573 4.804 50 30 JJEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)c1 ZINC000009124182 520909477 /nfs/dbraw/zinc/90/94/77/520909477.db2.gz VTPIFWHMKUSBFN-JOCHJYFZSA-N 0 1 492.553 4.876 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000016742288 521265648 /nfs/dbraw/zinc/26/56/48/521265648.db2.gz XBFPYKBKFNHCNE-FQEVSTJZSA-N 0 1 491.525 4.783 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009461924 521267158 /nfs/dbraw/zinc/26/71/58/521267158.db2.gz YCTXTQBWXMTQLJ-DEOSSOPVSA-N 0 1 492.528 4.960 50 30 JJEAMN CCCCc1ccc(CC2S/C(=N/N=C/c3ccc(OCCC)c(OC)c3)NC2=O)cc1 ZINC000011690592 521273616 /nfs/dbraw/zinc/27/36/16/521273616.db2.gz DQROAZPJEOKLBO-OINMWHHXSA-N 0 1 453.608 4.991 50 30 JJEAMN CCOC(=O)c1c(N)n(-c2ccccc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)C(=N)O2 ZINC000009441385 521407214 /nfs/dbraw/zinc/40/72/14/521407214.db2.gz AIJUYGIGGBWQQW-SJORKVTESA-N 0 1 479.334 4.640 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccccc2F)nc1C ZINC000016730500 522420376 /nfs/dbraw/zinc/42/03/76/522420376.db2.gz AAAWDJICWPEWJQ-SFHVURJKSA-N 0 1 484.480 4.608 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000009313048 522918740 /nfs/dbraw/zinc/91/87/40/522918740.db2.gz NLMXJSSXCHRBKO-WGDIFIGCSA-N 0 1 485.536 4.545 50 30 biogenic JJEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009312984 522918993 /nfs/dbraw/zinc/91/89/93/522918993.db2.gz RCBKGRHRMFOMOX-IVCQMTBJSA-N 0 1 471.509 4.503 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009280995 522955116 /nfs/dbraw/zinc/95/51/16/522955116.db2.gz DKWOLZGBSVLMAR-VWLOTQADSA-N 0 1 488.540 4.609 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000016806151 523282763 /nfs/dbraw/zinc/28/27/63/523282763.db2.gz ZFDRTVVVBNRQFQ-BXKMTCNYSA-N 0 1 463.574 4.922 50 30 JJEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)c(OC)c1OC ZINC000020610679 523421271 /nfs/dbraw/zinc/42/12/71/523421271.db2.gz VPQPGJTXWKINJI-ZOJNTWNKSA-N 0 1 453.535 4.512 50 30 biogenic JJEAMN COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000016734120 523790583 /nfs/dbraw/zinc/79/05/83/523790583.db2.gz YBAZQZQVMDDLCO-QHCPKHFHSA-N 0 1 487.980 4.998 50 30 JJEAMN Cc1cccc(/N=C/c2cc(I)cc(I)c2O)c1 ZINC000008648163 524154895 /nfs/dbraw/zinc/15/48/95/524154895.db2.gz STVIFGOOTPXART-CAOOACKPSA-N 0 1 463.056 4.660 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009370850 524387020 /nfs/dbraw/zinc/38/70/20/524387020.db2.gz MTCCUUIYGMWONI-QSRZORIUSA-N 0 1 457.482 4.592 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000009374500 524978180 /nfs/dbraw/zinc/97/81/80/524978180.db2.gz HKLXYZIPVZNAGZ-FYSMJZIKSA-N 0 1 470.481 4.697 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009375143 525221293 /nfs/dbraw/zinc/22/12/93/525221293.db2.gz QKECUFQLTFHGGC-XRHLQHRESA-N 0 1 499.563 4.848 50 30 biogenic JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009233123 525224257 /nfs/dbraw/zinc/22/42/57/525224257.db2.gz HEKDYYLJJIBFNZ-HXUWFJFHSA-N 0 1 480.473 4.829 50 30 JJEAMN Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2 ZINC000020650720 525317694 /nfs/dbraw/zinc/31/76/94/525317694.db2.gz YXULNXMYOHFPSJ-JAIQZWGSSA-N 0 1 470.319 4.658 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)c(OC)c1 ZINC000009424299 525386945 /nfs/dbraw/zinc/38/69/45/525386945.db2.gz GIDHAMYLVCMRNP-SFHVURJKSA-N 0 1 456.907 4.597 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009065558 525392598 /nfs/dbraw/zinc/39/25/98/525392598.db2.gz AJJNXRCXSFFKJD-FQEVSTJZSA-N 0 1 462.483 4.689 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009124476 525519129 /nfs/dbraw/zinc/51/91/29/525519129.db2.gz QCEFUUISJZKOEB-BLVKFPJESA-N 0 1 452.919 4.903 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009174785 525668301 /nfs/dbraw/zinc/66/83/01/525668301.db2.gz PEWHTHMPLCWWDI-HXUWFJFHSA-N 0 1 492.509 4.698 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 ZINC000009237300 525669874 /nfs/dbraw/zinc/66/98/74/525669874.db2.gz FYJQGHIIVLERDJ-LJQANCHMSA-N 0 1 450.447 4.820 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000008896124 525782721 /nfs/dbraw/zinc/78/27/21/525782721.db2.gz BFCZQYTVVHOXPY-OAQYLSRUSA-N 0 1 479.330 4.631 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000009241211 526032303 /nfs/dbraw/zinc/03/23/03/526032303.db2.gz VYAZCNPOQPOTSX-QGZVFWFLSA-N 0 1 455.333 4.997 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000009437225 526268374 /nfs/dbraw/zinc/26/83/74/526268374.db2.gz ZJXWJHLHGRIQFQ-QHCPKHFHSA-N 0 1 461.901 4.890 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000009272951 526268708 /nfs/dbraw/zinc/26/87/08/526268708.db2.gz GGMBCJLEYIQFCH-HKUYNNGSSA-N 0 1 476.754 4.860 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000009456062 526268891 /nfs/dbraw/zinc/26/88/91/526268891.db2.gz YRKVOKNNEFERFM-HSZRJFAPSA-N 0 1 461.901 4.890 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009380054 526269423 /nfs/dbraw/zinc/26/94/23/526269423.db2.gz AIPIYZZXGIEOCU-IBGZPJMESA-N 0 1 480.274 4.535 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000009008526 526271342 /nfs/dbraw/zinc/27/13/42/526271342.db2.gz WGFOFLLOJIVVOV-INIZCTEOSA-N 0 1 486.303 4.597 50 30 JJEAMN Oc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccccc1Br ZINC000009329817 526342295 /nfs/dbraw/zinc/34/22/95/526342295.db2.gz XOFLULMRXOCCRL-QGMBQPNBSA-N 0 1 454.147 4.720 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102869771 534968509 /nfs/dbraw/zinc/96/85/09/534968509.db2.gz VRIXIOZNYZDTDX-MRJHHRETSA-N 0 1 477.388 4.764 50 30 JJEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102496871 535326879 /nfs/dbraw/zinc/32/68/79/535326879.db2.gz QIUFHWOAEUGKSX-MOBKVPTQSA-N 0 1 466.490 4.698 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102602901 535417648 /nfs/dbraw/zinc/41/76/48/535417648.db2.gz KLQKDTFFISEMMX-JBCNATCCSA-N 0 1 468.893 4.670 50 30 JJEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102504596 535442923 /nfs/dbraw/zinc/44/29/23/535442923.db2.gz FGSJQYWTMMKIRH-NHFXJNLRSA-N 0 1 491.481 4.823 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102797455 536569608 /nfs/dbraw/zinc/56/96/08/536569608.db2.gz IIRVOBNAGRVXDB-HVESIFNPSA-N 0 1 476.341 4.788 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc(OC)c1OC ZINC000102706098 536885094 /nfs/dbraw/zinc/88/50/94/536885094.db2.gz DQTZZSDZMMGKAM-NHFXJNLRSA-N 0 1 492.509 4.541 50 30 JJEAMN C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OC ZINC000000660871 553739148 /nfs/dbraw/zinc/73/91/48/553739148.db2.gz VTOPZBGWMLZZOJ-CPNJWEJPSA-N 0 1 452.532 4.503 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000000724037 553773489 /nfs/dbraw/zinc/77/34/89/553773489.db2.gz ULBYDEVKQMONLC-GOSISDBHSA-N 0 1 498.944 4.683 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000001117530 553910509 /nfs/dbraw/zinc/91/05/09/553910509.db2.gz LHAGFBNQHPIVOG-MJGOQNOKSA-N 0 1 476.754 4.860 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1)c1ccc(Br)cc1 ZINC000001121656 553912193 /nfs/dbraw/zinc/91/21/93/553912193.db2.gz GGMWQAKZAWTBLR-IBGZPJMESA-N 0 1 454.276 4.526 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000001143288 553916008 /nfs/dbraw/zinc/91/60/08/553916008.db2.gz HPHDGBFKMKIMRF-RUZDIDTESA-N 0 1 488.540 4.584 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H]2c2ccccc2)cc1 ZINC000001413296 553967549 /nfs/dbraw/zinc/96/75/49/553967549.db2.gz UZQJOEWAJILJPE-RUZDIDTESA-N 0 1 473.525 4.533 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000001464663 553976248 /nfs/dbraw/zinc/97/62/48/553976248.db2.gz UBKHGHFEJSJHKX-KRWDZBQOSA-N 0 1 470.348 4.700 50 30 JJEAMN CC(C)OC(=O)C1=C2C(=O)C(=O)N(c3ccccc3)[C@]2(c2ccccc2)Sc2ccccc2N1 ZINC000002198587 554090177 /nfs/dbraw/zinc/09/01/77/554090177.db2.gz XKOCTEDSCXLXAW-HHHXNRCGSA-N 0 1 470.550 4.879 50 30 JJEAMN CC(C)OC(=O)C1=C2C(=O)C(=O)N(c3ccccc3)[C@@]2(c2ccccc2)Sc2ccccc2N1 ZINC000002198585 554090196 /nfs/dbraw/zinc/09/01/96/554090196.db2.gz XKOCTEDSCXLXAW-MHZLTWQESA-N 0 1 470.550 4.879 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000004126054 554475711 /nfs/dbraw/zinc/47/57/11/554475711.db2.gz FWDUKZXMUCOAHN-XMMPIXPASA-N 0 1 458.489 4.872 50 30 JJEAMN Oc1c(I)cc(I)cc1C=NNc1ccc(Cl)cc1 ZINC000008454053 554599370 /nfs/dbraw/zinc/59/93/70/554599370.db2.gz WJIJZYDIOIIEED-REZTVBANSA-N 0 1 498.489 4.701 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000008741469 554643765 /nfs/dbraw/zinc/64/37/65/554643765.db2.gz AYHJMQNCWLNOEL-JOCHJYFZSA-N 0 1 494.931 4.539 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008743754 554646607 /nfs/dbraw/zinc/64/66/07/554646607.db2.gz MMWVXGWPQNOHOX-SFHVURJKSA-N 0 1 455.923 4.682 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000008779312 554676625 /nfs/dbraw/zinc/67/66/25/554676625.db2.gz YLVCYHMOIPCFCM-SFHVURJKSA-N 0 1 498.582 4.871 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(F)c3)sc2c1 ZINC000008817165 554699639 /nfs/dbraw/zinc/69/96/39/554699639.db2.gz WOYVICALWUHDKB-IBGZPJMESA-N 0 1 450.447 4.820 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008836790 554737100 /nfs/dbraw/zinc/73/71/00/554737100.db2.gz FFDQRZIAPDHDBB-NRFANRHFSA-N 0 1 492.509 4.698 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008837659 554738862 /nfs/dbraw/zinc/73/88/62/554738862.db2.gz LLCYUPVIZVOLSX-JOCHJYFZSA-N 0 1 465.937 4.604 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000008914505 554807652 /nfs/dbraw/zinc/80/76/52/554807652.db2.gz CUHWTKOKPYIBMW-GOSISDBHSA-N 0 1 457.255 4.668 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000008915039 554808125 /nfs/dbraw/zinc/80/81/25/554808125.db2.gz XJWUYWMVMTZLGG-MRXNPFEDSA-N 0 1 459.296 4.828 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000008918981 554815811 /nfs/dbraw/zinc/81/58/11/554815811.db2.gz GBXAWFKVINVHFZ-LJQANCHMSA-N 0 1 470.934 4.910 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1C ZINC000008926876 554824349 /nfs/dbraw/zinc/82/43/49/554824349.db2.gz VUGONCWUATXZTI-DEOSSOPVSA-N 0 1 457.530 4.742 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000008973448 554844464 /nfs/dbraw/zinc/84/44/64/554844464.db2.gz WOYVICALWUHDKB-LJQANCHMSA-N 0 1 450.447 4.820 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009007964 554861880 /nfs/dbraw/zinc/86/18/80/554861880.db2.gz UBQKXWBDNZZFKE-XMMPIXPASA-N 0 1 450.579 4.739 50 30 JJEAMN CCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000009462972 555232495 /nfs/dbraw/zinc/23/24/95/555232495.db2.gz QGRKCTZIQIEWSG-KVDJPTQJSA-N 0 1 476.396 4.710 50 30 JJEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009463214 555233176 /nfs/dbraw/zinc/23/31/76/555233176.db2.gz CQFQIDOSTIOHQH-SANMLTNESA-N 0 1 485.536 4.678 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000013549903 555491292 /nfs/dbraw/zinc/49/12/92/555491292.db2.gz OJRJEBBTOVUWHM-INIZCTEOSA-N 0 1 472.906 4.576 50 30 JJEAMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc1 ZINC000009788874 555506006 /nfs/dbraw/zinc/50/60/06/555506006.db2.gz TZWWKGHKFIEDCT-CYBMUJFWSA-N 0 1 453.593 4.802 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000013570602 555508920 /nfs/dbraw/zinc/50/89/20/555508920.db2.gz XUOCSQCGZNHWAW-QFIPXVFZSA-N 0 1 497.334 4.938 50 30 JJEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020102736 555634965 /nfs/dbraw/zinc/63/49/65/555634965.db2.gz SCXMSYNMWWNRED-VWLOTQADSA-N 0 1 464.606 4.732 50 30 JJEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020102736 555634969 /nfs/dbraw/zinc/63/49/69/555634969.db2.gz SCXMSYNMWWNRED-VWLOTQADSA-N 0 1 464.606 4.732 50 30 JJEAMN Cc1cc(C)c(O)c(/N=C/c2cc(I)cc(I)c2O)c1 ZINC000013881979 555640297 /nfs/dbraw/zinc/64/02/97/555640297.db2.gz IMNGVEVSQSFVAF-CNHKJKLMSA-N 0 1 493.082 4.674 50 30 JJEAMN Cc1ccc(C[NH+]2CCN(/N=C/c3cc(Br)cc(Br)c3[O-])CC2)c(C)c1 ZINC000020130120 555655789 /nfs/dbraw/zinc/65/57/89/555655789.db2.gz DOEKYFOIVSMARJ-FSJBWODESA-N 0 1 481.232 4.686 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000020135245 555659641 /nfs/dbraw/zinc/65/96/41/555659641.db2.gz IUNOJBNQCMHNKN-OAQYLSRUSA-N 0 1 475.372 4.698 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000020135245 555659644 /nfs/dbraw/zinc/65/96/44/555659644.db2.gz IUNOJBNQCMHNKN-OAQYLSRUSA-N 0 1 475.372 4.698 50 30 JJEAMN C(#CCN1CCN(Cc2ccccc2)CC1)COCCOC(c1ccccc1)c1ccccc1 ZINC000020228878 555719510 /nfs/dbraw/zinc/71/95/10/555719510.db2.gz GVOXZFBLDSJOPM-UHFFFAOYSA-N 0 1 454.614 4.630 50 30 JJEAMN N#Cc1c2c(sc1NC(=O)CSc1nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]1)CCCC2 ZINC000015859803 556031483 /nfs/dbraw/zinc/03/14/83/556031483.db2.gz JITGXCDZUXXIHT-UHFFFAOYSA-N 0 1 481.990 4.917 50 30 JJEAMN O=C(COc1cccc(Br)c1)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000012778180 556111174 /nfs/dbraw/zinc/11/11/74/556111174.db2.gz CKVONFHTWPXIGF-UHFFFAOYSA-N 0 1 452.106 4.664 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000024081070 556119793 /nfs/dbraw/zinc/11/97/93/556119793.db2.gz UJCNVSFCNCFOOG-VWLOTQADSA-N 0 1 462.590 4.823 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000024081070 556119794 /nfs/dbraw/zinc/11/97/94/556119794.db2.gz UJCNVSFCNCFOOG-VWLOTQADSA-N 0 1 462.590 4.823 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000024081059 556119890 /nfs/dbraw/zinc/11/98/90/556119890.db2.gz WLIWZDDBLQTPCA-XMMPIXPASA-N 0 1 450.579 4.657 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(F)cc1 ZINC000016713788 556154641 /nfs/dbraw/zinc/15/46/41/556154641.db2.gz JZYSUGNNTITTEN-QHCPKHFHSA-N 0 1 455.526 4.784 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000016734468 556155658 /nfs/dbraw/zinc/15/56/58/556155658.db2.gz RZWDWGRXZXGZKC-DEOSSOPVSA-N 0 1 465.546 4.655 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000016734385 556155678 /nfs/dbraw/zinc/15/56/78/556155678.db2.gz KFYPSBZNVIRBRF-DEOSSOPVSA-N 0 1 475.497 4.727 50 30 JJEAMN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C(=O)C(=O)N1Cc1ccncc1 ZINC000016750462 556156776 /nfs/dbraw/zinc/15/67/76/556156776.db2.gz ZQVZJQMGRNZHRN-CRICUBBOSA-N 0 1 470.525 4.582 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016751269 556157454 /nfs/dbraw/zinc/15/74/54/556157454.db2.gz GVHABLLXNGGFCC-PPHZAIPVSA-N 0 1 498.579 4.942 50 30 JJEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 ZINC000017160111 556229296 /nfs/dbraw/zinc/22/92/96/556229296.db2.gz ZFHDWHXOXINKMF-DEOSSOPVSA-N 0 1 457.530 4.598 50 30 JJEAMN C=CCN(C(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000018189991 556300462 /nfs/dbraw/zinc/30/04/62/556300462.db2.gz DJCKYFWIXGGVMZ-UHFFFAOYSA-N 0 1 486.384 4.727 50 30 JJEAMN COc1cc([C@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000018196095 556302817 /nfs/dbraw/zinc/30/28/17/556302817.db2.gz KRCJAQRFONUZSC-QFIPXVFZSA-N 0 1 460.490 4.676 50 30 JJEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000008384355 562939037 /nfs/dbraw/zinc/93/90/37/562939037.db2.gz XMNYSDBTSFDAPN-IBGZPJMESA-N 0 1 453.520 4.710 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCOC)cc1OCC ZINC000008384166 569589197 /nfs/dbraw/zinc/58/91/97/569589197.db2.gz KVDFHRHOOQIPIK-RUZDIDTESA-N 0 1 495.572 4.664 50 30 JJEAMN Cc1cc(C)cc(NC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)c1 ZINC000061899894 569609190 /nfs/dbraw/zinc/60/91/90/569609190.db2.gz CEHUSIMJNCJASZ-VWLOTQADSA-N 0 1 490.611 4.815 50 30 JJEAMN C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096114825 569733782 /nfs/dbraw/zinc/73/37/82/569733782.db2.gz KLNTXPZBUGKKNI-QGZVFWFLSA-N 0 1 486.476 4.973 50 30 biogenic JJEAMN COc1ccc(Oc2ccc(NC=C3C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000100200117 569755143 /nfs/dbraw/zinc/75/51/43/569755143.db2.gz ZXSMMYSYMNQZDZ-QVGKIPNLSA-N 0 1 459.527 4.562 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000100345983 569757839 /nfs/dbraw/zinc/75/78/39/569757839.db2.gz IDJFWIOPHISXSU-RARRKCLYSA-N 0 1 457.482 4.592 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036342000 569765125 /nfs/dbraw/zinc/76/51/25/569765125.db2.gz CJUFGRZUZZHILO-QFIPXVFZSA-N 0 1 453.558 4.886 50 30 JJEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346070 569768745 /nfs/dbraw/zinc/76/87/45/569768745.db2.gz PYBHEYCBYWYESP-JOCHJYFZSA-N 0 1 453.558 4.888 50 30 JJEAMN C=C[C@@](C)(O)CN(CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346833 569770963 /nfs/dbraw/zinc/77/09/63/569770963.db2.gz AOWSGOIJQJOASL-RUZDIDTESA-N 0 1 457.521 4.637 50 30 JJEAMN O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000101057212 569780603 /nfs/dbraw/zinc/78/06/03/569780603.db2.gz FAZKHIJOJWMCCI-HQMFNGAOSA-N 0 1 498.264 4.518 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000101057212 569780604 /nfs/dbraw/zinc/78/06/04/569780604.db2.gz FAZKHIJOJWMCCI-HQMFNGAOSA-N 0 1 498.264 4.518 50 30 JJEAMN O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000101057210 569780660 /nfs/dbraw/zinc/78/06/60/569780660.db2.gz FAZKHIJOJWMCCI-LAFOYAEKSA-N 0 1 498.264 4.518 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000101057210 569780662 /nfs/dbraw/zinc/78/06/62/569780662.db2.gz FAZKHIJOJWMCCI-LAFOYAEKSA-N 0 1 498.264 4.518 50 30 JJEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Br)cc1 ZINC000101069887 569781049 /nfs/dbraw/zinc/78/10/49/569781049.db2.gz XEVKDMPRAMGAJP-WOOAAIBNSA-N 0 1 483.274 4.572 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000101287426 569789506 /nfs/dbraw/zinc/78/95/06/569789506.db2.gz CMDQFSYWVHYUGS-MRJHHRETSA-N 0 1 450.878 4.828 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101293949 569789849 /nfs/dbraw/zinc/78/98/49/569789849.db2.gz KVHUSIKXDNNIMX-ZHHPLPSFSA-N 0 1 477.948 4.613 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000101313351 569792060 /nfs/dbraw/zinc/79/20/60/569792060.db2.gz NZWYCLBDCLDEHQ-ZHHPLPSFSA-N 0 1 477.948 4.613 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102859462 569824740 /nfs/dbraw/zinc/82/47/40/569824740.db2.gz UNXBRKVHTIFVDB-JBCNATCCSA-N 0 1 492.509 4.541 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102927704 569826975 /nfs/dbraw/zinc/82/69/75/569826975.db2.gz PMQJHCHJBVUKAD-YDJIHCHBSA-N 0 1 462.483 4.533 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000102928260 569827256 /nfs/dbraw/zinc/82/72/56/569827256.db2.gz DKMVSFRSRWIUGV-YJBPAFNHSA-N 0 1 479.573 4.503 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2cccs2)nc1C ZINC000102929656 569827856 /nfs/dbraw/zinc/82/78/56/569827856.db2.gz FNUROPJWKVNGCJ-SELCWUDQSA-N 0 1 498.582 4.715 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000103998438 569839732 /nfs/dbraw/zinc/83/97/32/569839732.db2.gz CFBCXNWQPIYRQQ-FZIYRNTBSA-N 0 1 499.563 4.779 50 30 JJEAMN C=C[C@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H]1CCCO1 ZINC000105002610 569848942 /nfs/dbraw/zinc/84/89/42/569848942.db2.gz NUZYSQVROPZGFH-FIPFOOKPSA-N 0 1 477.605 4.900 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000105001488 569849003 /nfs/dbraw/zinc/84/90/03/569849003.db2.gz VOBLLEBQDQYVLJ-PKTZIBPZSA-N 0 1 495.595 4.563 50 30 JJEAMN CCCO[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2C(=O)C(Cl)=C1Cl ZINC000003095698 194225429 /nfs/dbraw/zinc/22/54/29/194225429.db2.gz SVSWPILMOWWQCQ-IBGZPJMESA-N 0 1 460.766 4.783 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C1CCCCC1 ZINC000036207106 128296057 /nfs/dbraw/zinc/29/60/57/128296057.db2.gz SJFLMTWBFWZOGW-NRFANRHFSA-N 0 1 481.662 4.967 50 30 JJEAMN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1 ZINC000096279718 130024157 /nfs/dbraw/zinc/02/41/57/130024157.db2.gz NOWGYVQRGTUGCT-FPTDNZKUSA-N 0 1 498.557 4.685 50 30 JJEAMN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1 ZINC000096279721 130024533 /nfs/dbraw/zinc/02/45/33/130024533.db2.gz NOWGYVQRGTUGCT-JLCFBVMHSA-N 0 1 498.557 4.685 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102503106 130157220 /nfs/dbraw/zinc/15/72/20/130157220.db2.gz GRDPBRUATAGGKV-MRJHHRETSA-N 0 1 476.510 4.841 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102511901 130166055 /nfs/dbraw/zinc/16/60/55/130166055.db2.gz JZOLGWIMIHCPKK-IIHDFJPDSA-N 0 1 484.508 4.583 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102522158 130174172 /nfs/dbraw/zinc/17/41/72/130174172.db2.gz FYQWNIMULKKARD-ONLXDWTESA-N 0 1 453.538 4.983 50 30 JJEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1 ZINC000102528561 130181360 /nfs/dbraw/zinc/18/13/60/130181360.db2.gz OAWGGMWGDOZBQK-ONQGDUAMSA-N 0 1 491.547 4.986 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000102536108 130190663 /nfs/dbraw/zinc/19/06/63/130190663.db2.gz VNLUSMBDGJOVOD-UUALVTFQSA-N 0 1 491.547 4.986 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102548147 130201957 /nfs/dbraw/zinc/20/19/57/130201957.db2.gz OQUXRWFKHIQTGW-NPJIAGGLSA-N 0 1 488.540 4.508 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000102611982 130223383 /nfs/dbraw/zinc/22/33/83/130223383.db2.gz OUPWHYWHRRZCOI-LHRXRZTBSA-N 0 1 487.512 4.780 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102655288 130233448 /nfs/dbraw/zinc/23/34/48/130233448.db2.gz DJUBDMOXPJPVIA-PLWHFILJSA-N 0 1 469.537 4.683 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102692471 130239717 /nfs/dbraw/zinc/23/97/17/130239717.db2.gz NHUQNSNPKYOXOL-UUALVTFQSA-N 0 1 484.596 4.866 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102692471 130239722 /nfs/dbraw/zinc/23/97/22/130239722.db2.gz NHUQNSNPKYOXOL-UUALVTFQSA-N 0 1 484.596 4.866 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102694188 130240446 /nfs/dbraw/zinc/24/04/46/130240446.db2.gz ONNDXQHAAUMBRA-SELCWUDQSA-N 0 1 498.944 4.526 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102705581 130251300 /nfs/dbraw/zinc/25/13/00/130251300.db2.gz LIUBHCCTTHWJQF-NPJIAGGLSA-N 0 1 481.589 4.887 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102721352 130267068 /nfs/dbraw/zinc/26/70/68/130267068.db2.gz QKAUAHQLBZVHCQ-SELCWUDQSA-N 0 1 498.944 4.526 50 30 JJEAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1C=NN1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000102724284 130269400 /nfs/dbraw/zinc/26/94/00/130269400.db2.gz UUIYRGQTGHUGAJ-FVWOVNQCSA-N 0 1 475.530 4.559 50 30 JJEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102770892 130295390 /nfs/dbraw/zinc/29/53/90/130295390.db2.gz ZECLMPHUAZQMKE-KXCNXCNDSA-N 0 1 485.584 4.842 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102803332 130310675 /nfs/dbraw/zinc/31/06/75/130310675.db2.gz VKBATUVFFKUWOS-SELCWUDQSA-N 0 1 498.944 4.526 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(Br)c1 ZINC000102868094 130341447 /nfs/dbraw/zinc/34/14/47/130341447.db2.gz JGPUVRFWWJTINS-JBCNATCCSA-N 0 1 488.378 4.695 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102878859 130353246 /nfs/dbraw/zinc/35/32/46/130353246.db2.gz LCTLEBUCVVFSRT-LFVOPCPISA-N 0 1 480.473 4.672 50 30 JJEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102882801 130362004 /nfs/dbraw/zinc/36/20/04/130362004.db2.gz SSQMDHCJKLABEX-SOIUSXPSSA-N 0 1 459.498 4.624 50 30 JJEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000102882922 130362033 /nfs/dbraw/zinc/36/20/33/130362033.db2.gz BKCHLSYGGQTVRH-YJBPAFNHSA-N 0 1 479.573 4.647 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102883950 130364434 /nfs/dbraw/zinc/36/44/34/130364434.db2.gz ZQDZBSYYADTBAK-NPJIAGGLSA-N 0 1 488.540 4.597 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000102887999 130369189 /nfs/dbraw/zinc/36/91/89/130369189.db2.gz PTRWXMZJHVNNII-IUKMQXEJSA-N 0 1 488.540 4.508 50 30 JJEAMN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102892492 130374787 /nfs/dbraw/zinc/37/47/87/130374787.db2.gz CZXCRYKSVNWZRH-HOGKFDNTSA-N 0 1 466.490 4.780 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000102897299 130379390 /nfs/dbraw/zinc/37/93/90/130379390.db2.gz SFYARAXZKOPRJG-JBCNATCCSA-N 0 1 453.878 4.572 50 30 JJEAMN C=CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000009427240 518972819 /nfs/dbraw/zinc/97/28/19/518972819.db2.gz YWTXQSDETKODIG-NRFANRHFSA-N 0 1 477.546 4.805 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000006144028 518979700 /nfs/dbraw/zinc/97/97/00/518979700.db2.gz ZKAPDHRPLPECSA-SFHVURJKSA-N 0 1 480.567 4.947 50 30 JJEAMN C=CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl ZINC000036304976 518991452 /nfs/dbraw/zinc/99/14/52/518991452.db2.gz KBUMYTIKEAMMFK-OAQYLSRUSA-N 0 1 486.012 4.545 50 30 JJEAMN C=CCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000016678456 519007187 /nfs/dbraw/zinc/00/71/87/519007187.db2.gz PCYQNXXLGBUKHP-LDADJPATSA-N 0 1 460.361 4.866 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000016733256 519046133 /nfs/dbraw/zinc/04/61/33/519046133.db2.gz FZJUJJLVHHWJSS-QHCPKHFHSA-N 0 1 485.964 4.918 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009425000 519062131 /nfs/dbraw/zinc/06/21/31/519062131.db2.gz RPTZNEAZDDKBMA-MHZLTWQESA-N 0 1 497.547 4.844 50 30 JJEAMN C=CCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000011914976 519062760 /nfs/dbraw/zinc/06/27/60/519062760.db2.gz QIOOAHHLUGCDBK-SANMLTNESA-N 0 1 452.514 4.796 50 30 JJEAMN C=C[C@@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H]1CCCO1 ZINC000036308717 519297636 /nfs/dbraw/zinc/29/76/36/519297636.db2.gz NUZYSQVROPZGFH-NEKDWFFYSA-N 0 1 477.605 4.900 50 30 JJEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009454640 519840294 /nfs/dbraw/zinc/84/02/94/519840294.db2.gz FHOIPLIWGWXRJY-DEOSSOPVSA-N 0 1 459.498 4.953 50 30 JJEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020444194 520257780 /nfs/dbraw/zinc/25/77/80/520257780.db2.gz KFRJCXCZJYNPMZ-BCHFMIIMSA-N 0 1 492.616 4.719 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000022275997 520328548 /nfs/dbraw/zinc/32/85/48/520328548.db2.gz QMCSZGBZMPGZLV-QFIPXVFZSA-N 0 1 456.970 4.577 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000022275997 520328559 /nfs/dbraw/zinc/32/85/59/520328559.db2.gz QMCSZGBZMPGZLV-QFIPXVFZSA-N 0 1 456.970 4.577 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009433855 520332213 /nfs/dbraw/zinc/33/22/13/520332213.db2.gz BBVSLNKEAWKLQC-XMMPIXPASA-N 0 1 458.514 4.658 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009424059 520471558 /nfs/dbraw/zinc/47/15/58/520471558.db2.gz GFFMRZOELPOCND-QYBDOPJKSA-N 0 1 484.552 4.972 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000009312661 520783261 /nfs/dbraw/zinc/78/32/61/520783261.db2.gz OXIAWAIBRABKKT-CLYVBNDRSA-N 0 1 499.563 4.935 50 30 biogenic JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009244027 520860920 /nfs/dbraw/zinc/86/09/20/520860920.db2.gz TZXQZFXPXSPNHK-RUZDIDTESA-N 0 1 488.540 4.753 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000009472210 520862544 /nfs/dbraw/zinc/86/25/44/520862544.db2.gz VQKMKCYQQGFDIS-HXUWFJFHSA-N 0 1 467.522 4.947 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009461404 520876632 /nfs/dbraw/zinc/87/66/32/520876632.db2.gz ORLIFJPMFCQLGS-VWLOTQADSA-N 0 1 489.572 4.738 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009066674 521269246 /nfs/dbraw/zinc/26/92/46/521269246.db2.gz YMRSGDOTUZWIKD-DEOSSOPVSA-N 0 1 458.514 4.658 50 30 JJEAMN CCOC(=O)c1c(N)n(-c2ccccc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)C(=N)O2 ZINC000003246071 521406411 /nfs/dbraw/zinc/40/64/11/521406411.db2.gz AIJUYGIGGBWQQW-IAGOWNOFSA-N 0 1 479.334 4.640 50 30 JJEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009424527 521417624 /nfs/dbraw/zinc/41/76/24/521417624.db2.gz STGZQEYPKUZQCD-UPCLLVRISA-N 0 1 459.498 4.780 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)nc1C ZINC000016737455 521610365 /nfs/dbraw/zinc/61/03/65/521610365.db2.gz PZWOUUYGKKVJFW-IBGZPJMESA-N 0 1 480.542 4.929 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)nc1C ZINC000009066663 521612095 /nfs/dbraw/zinc/61/20/95/521612095.db2.gz MZKATHBNRAOUQW-SFHVURJKSA-N 0 1 466.515 4.621 50 30 JJEAMN COc1cc(C=CC(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc(Cl)c1OCC(C)C ZINC000009254081 521934368 /nfs/dbraw/zinc/93/43/68/521934368.db2.gz VBBIIACUKGNUHR-JFDDCEBESA-N 0 1 462.955 4.581 50 30 JJEAMN COc1cc(C=CC(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc(Cl)c1OCC(C)C ZINC000009254081 521934379 /nfs/dbraw/zinc/93/43/79/521934379.db2.gz VBBIIACUKGNUHR-JFDDCEBESA-N 0 1 462.955 4.581 50 30 JJEAMN COc1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+](C)Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000020611193 521965781 /nfs/dbraw/zinc/96/57/81/521965781.db2.gz ZELUUNGVTCNOHQ-UUYOSTAYSA-N 0 1 461.514 4.666 50 30 biogenic JJEAMN COc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc(Br)c1OCc1ccccc1 ZINC000001807381 522001110 /nfs/dbraw/zinc/00/11/10/522001110.db2.gz SDIDPLBWAKPLSH-NUGSKGIGSA-N 0 1 487.301 4.818 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)nc1C ZINC000009123731 522421338 /nfs/dbraw/zinc/42/13/38/522421338.db2.gz PIXGXSUCEHBVSY-KRWDZBQOSA-N 0 1 468.918 4.674 50 30 JJEAMN CNc1nc(N=NCc2cc([N+](=O)[O-])ccc2Cl)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000006136071 522686260 /nfs/dbraw/zinc/68/62/60/522686260.db2.gz HXVHFTDTEIUGHJ-PGGKNCGUSA-N 0 1 466.811 4.683 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000009312180 522954180 /nfs/dbraw/zinc/95/41/80/522954180.db2.gz NLMXJSSXCHRBKO-QUGAMOGWSA-N 0 1 485.536 4.545 50 30 biogenic JJEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009312981 522954574 /nfs/dbraw/zinc/95/45/74/522954574.db2.gz RCBKGRHRMFOMOX-CPJLOUKISA-N 0 1 471.509 4.503 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(O)c1 ZINC000009506712 523280459 /nfs/dbraw/zinc/28/04/59/523280459.db2.gz CRIDXARXQNTEQS-SANMLTNESA-N 0 1 487.552 4.894 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1F ZINC000016805194 523561587 /nfs/dbraw/zinc/56/15/87/523561587.db2.gz YCJBWHSZYJQQMF-OAQYLSRUSA-N 0 1 497.320 4.770 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1C ZINC000009271696 523562953 /nfs/dbraw/zinc/56/29/53/523562953.db2.gz SJHQRHRNXSYTCR-QFIPXVFZSA-N 0 1 493.357 4.940 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016731008 523792952 /nfs/dbraw/zinc/79/29/52/523792952.db2.gz MPEOYRADKNDCHY-VWLOTQADSA-N 0 1 491.515 4.638 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(O)c1 ZINC000009463483 523794876 /nfs/dbraw/zinc/79/48/76/523794876.db2.gz ZVROZQQQHBJPBO-RUZDIDTESA-N 0 1 473.525 4.504 50 30 JJEAMN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009437035 524052741 /nfs/dbraw/zinc/05/27/41/524052741.db2.gz QFWOVTFXQIXMCL-SANMLTNESA-N 0 1 469.537 4.841 50 30 JJEAMN COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N(CC(C)C)CC(C)C)cc1 ZINC000009310007 524063647 /nfs/dbraw/zinc/06/36/47/524063647.db2.gz PFMSCTXICNPPTR-JOCHJYFZSA-N 0 1 459.594 4.680 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)c1OC ZINC000009507750 524171507 /nfs/dbraw/zinc/17/15/07/524171507.db2.gz LFLJJQQTDMQTSG-IBGZPJMESA-N 0 1 499.317 4.546 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009312986 524171805 /nfs/dbraw/zinc/17/18/05/524171805.db2.gz KXXAUTXXRHBAEC-QYBDOPJKSA-N 0 1 469.537 4.840 50 30 biogenic JJEAMN COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000009334397 524172896 /nfs/dbraw/zinc/17/28/96/524172896.db2.gz RCVFIMLNNJPFHD-IBGZPJMESA-N 0 1 480.473 4.829 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009329612 524384850 /nfs/dbraw/zinc/38/48/50/524384850.db2.gz VPIXYXOUXQKMIH-VFQKSYQASA-N 0 1 471.509 4.895 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009379679 524385028 /nfs/dbraw/zinc/38/50/28/524385028.db2.gz TUXRKKRAXFLQBV-LRYJWJCBSA-N 0 1 471.509 4.895 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009379678 524386973 /nfs/dbraw/zinc/38/69/73/524386973.db2.gz TUXRKKRAXFLQBV-GKPWEIJISA-N 0 1 471.509 4.895 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009424611 524976094 /nfs/dbraw/zinc/97/60/94/524976094.db2.gz SXWZOGJVSVTMGH-NPMXOYFQSA-N 0 1 460.917 4.837 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000009354503 524978207 /nfs/dbraw/zinc/97/82/07/524978207.db2.gz JWCVHVQKQCDWPP-SSOJOUAXSA-N 0 1 455.510 4.537 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009359771 525517858 /nfs/dbraw/zinc/51/78/58/525517858.db2.gz XSTVRGWUVNVOOX-IQMFZBJNSA-N 0 1 460.917 4.837 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000009312268 525518973 /nfs/dbraw/zinc/51/89/73/525518973.db2.gz XZQOCXBBFZTTTE-GYCJOSAFSA-N 0 1 470.481 4.697 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009070816 525668635 /nfs/dbraw/zinc/66/86/35/525668635.db2.gz RVHVXMZNKPRQRA-LJQANCHMSA-N 0 1 477.454 4.589 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)c1 ZINC000009185696 525785076 /nfs/dbraw/zinc/78/50/76/525785076.db2.gz POCZDQDCZVLNRQ-IBGZPJMESA-N 0 1 469.291 4.537 50 30 JJEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009334369 526021854 /nfs/dbraw/zinc/02/18/54/526021854.db2.gz XLIOXPMYCUQZIJ-DEOSSOPVSA-N 0 1 459.546 4.647 50 30 JJEAMN Cc1ccc2nc(SCc3noc(CCC(=O)Nc4sc5c(c4C#N)CCCC5)n3)[nH]c2c1 ZINC000033270730 526101201 /nfs/dbraw/zinc/10/12/01/526101201.db2.gz HWAHMFFBRXTCGC-UHFFFAOYSA-N 0 1 478.603 4.930 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000009244166 526269008 /nfs/dbraw/zinc/26/90/08/526269008.db2.gz MNTITGQETRPERB-IBGZPJMESA-N 0 1 480.274 4.535 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000009067102 526271647 /nfs/dbraw/zinc/27/16/47/526271647.db2.gz DPUCANLPKQKYLF-MRXNPFEDSA-N 0 1 459.296 4.828 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000001152505 526272230 /nfs/dbraw/zinc/27/22/30/526272230.db2.gz IMFRFXGEYOPGLK-MRXNPFEDSA-N 0 1 459.296 4.828 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(Cl)cc2)s1 ZINC000009449448 526353419 /nfs/dbraw/zinc/35/34/19/526353419.db2.gz MSCSBPIMAHXJBR-JEOXALJRSA-N 0 1 467.934 4.606 50 30 JJEAMN Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000017163089 526690188 /nfs/dbraw/zinc/69/01/88/526690188.db2.gz UVPCRCAMDQJWAX-GOSISDBHSA-N 0 1 484.375 4.696 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102556759 534968191 /nfs/dbraw/zinc/96/81/91/534968191.db2.gz PQDHXZXQVQLYCO-NXLSWJSLSA-N 0 1 464.606 4.755 50 30 JJEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102925691 535442583 /nfs/dbraw/zinc/44/25/83/535442583.db2.gz HSIZTQNMGINMBY-JBCNATCCSA-N 0 1 476.510 4.923 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000102882031 535687923 /nfs/dbraw/zinc/68/79/23/535687923.db2.gz QNPMWDMEWQAQPR-TVXPFAQOSA-N 0 1 485.536 4.736 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102720700 536540009 /nfs/dbraw/zinc/54/00/09/536540009.db2.gz IUHZPPRXHGRXEA-NPJIAGGLSA-N 0 1 497.588 4.505 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000102876621 536565745 /nfs/dbraw/zinc/56/57/45/536565745.db2.gz MGCUSUMIJQEGFP-JBCNATCCSA-N 0 1 486.355 4.711 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102521669 536569974 /nfs/dbraw/zinc/56/99/74/536569974.db2.gz TWBLCFYOTWTJPX-GHNGSUTGSA-N 0 1 485.359 4.849 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102483740 536884899 /nfs/dbraw/zinc/88/48/99/536884899.db2.gz MNZLJBHGKPPVHX-WOOAAIBNSA-N 0 1 470.934 4.754 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102857404 536884935 /nfs/dbraw/zinc/88/49/35/536884935.db2.gz TVDBLCKKQUVSFC-AYWGPLOBSA-N 0 1 480.517 4.944 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000000626525 553714632 /nfs/dbraw/zinc/71/46/32/553714632.db2.gz OEAVQKZETLBFCD-VWLOTQADSA-N 0 1 452.510 4.998 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000000702731 553761722 /nfs/dbraw/zinc/76/17/22/553761722.db2.gz CXLQLYHHHBMHMZ-FPOVZHCZSA-N 0 1 486.362 4.605 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000000864422 553804127 /nfs/dbraw/zinc/80/41/27/553804127.db2.gz UAHDZDAWDJHHNZ-UYAOXDASSA-N 0 1 456.336 4.515 50 30 JJEAMN Cc1c(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000001065077 553903623 /nfs/dbraw/zinc/90/36/23/553903623.db2.gz SRLVHZPFNHJSMB-RUZDIDTESA-N 0 1 479.536 4.576 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000001136971 553915256 /nfs/dbraw/zinc/91/52/56/553915256.db2.gz HZNDGVUCWRYBJJ-DEOSSOPVSA-N 0 1 471.509 4.650 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H]2c2ccccc2)c1 ZINC000001413324 553967593 /nfs/dbraw/zinc/96/75/93/553967593.db2.gz WNQJCQUWANEGGW-RUZDIDTESA-N 0 1 473.525 4.533 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000001413337 553967636 /nfs/dbraw/zinc/96/76/36/553967636.db2.gz WRUPYPJWZQDCCW-QHCPKHFHSA-N 0 1 479.554 4.595 50 30 JJEAMN CCOC(=O)[C@@](NC(=O)c1c(F)cccc1F)(Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000002050586 554010706 /nfs/dbraw/zinc/01/07/06/554010706.db2.gz GIXWPXBJSOGGOS-KRWDZBQOSA-N 0 1 470.316 4.647 50 30 JJEAMN CCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000002263426 554123090 /nfs/dbraw/zinc/12/30/90/554123090.db2.gz QGRKCTZIQIEWSG-RTEBGVHSSA-N 0 1 476.396 4.710 50 30 JJEAMN CCOC(=O)[C@](NC(=O)c1ccccc1F)(Nc1cc(C(F)(F)F)ccc1OC)C(F)(F)F ZINC000002317136 554146367 /nfs/dbraw/zinc/14/63/67/554146367.db2.gz CSVXREYAKKSRQL-GOSISDBHSA-N 0 1 482.352 4.517 50 30 JJEAMN CCOC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1cc(C(F)(F)F)ccc1OC)C(F)(F)F ZINC000002317137 554146376 /nfs/dbraw/zinc/14/63/76/554146376.db2.gz CSVXREYAKKSRQL-SFHVURJKSA-N 0 1 482.352 4.517 50 30 JJEAMN Oc1c(Br)cc(Br)cc1/C=N/N1CCN(Cc2ccccc2Cl)CC1 ZINC000002321627 554147552 /nfs/dbraw/zinc/14/75/52/554147552.db2.gz GELYPTKPTZJGSX-SSDVNMTOSA-N 0 1 487.623 4.722 50 30 JJEAMN CCCCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(O)c2)c1 ZINC000005918870 554496196 /nfs/dbraw/zinc/49/61/96/554496196.db2.gz DLMBSHGSAYDDNL-XMMPIXPASA-N 0 1 458.514 4.745 50 30 JJEAMN O=[N+]([O-])c1ccc(Cl)c(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1 ZINC000006473851 554543695 /nfs/dbraw/zinc/54/36/95/554543695.db2.gz KFDVFGFDTZYPKY-OEAKJJBVSA-N 0 1 452.906 4.613 50 30 JJEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1 ZINC000008383830 554567047 /nfs/dbraw/zinc/56/70/47/554567047.db2.gz IQIVOFCJOCPMBC-CJAUYULYSA-N 0 1 479.573 4.804 50 30 JJEAMN CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)cc2C)C(=O)C(=O)N1Cc1cccnc1 ZINC000008741472 554644015 /nfs/dbraw/zinc/64/40/15/554644015.db2.gz MDMPVUDYBJYHQD-DEOSSOPVSA-N 0 1 458.514 4.576 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008744033 554646829 /nfs/dbraw/zinc/64/68/29/554646829.db2.gz SFMOBJGIWNYDQR-DEOSSOPVSA-N 0 1 459.546 4.647 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)nc1C ZINC000008744021 554646957 /nfs/dbraw/zinc/64/69/57/554646957.db2.gz QZUZAPVBJURIDY-IBGZPJMESA-N 0 1 496.541 4.791 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1 ZINC000008744128 554647139 /nfs/dbraw/zinc/64/71/39/554647139.db2.gz JGHXWGRLQXYRFD-IBGZPJMESA-N 0 1 469.291 4.537 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000008779294 554676532 /nfs/dbraw/zinc/67/65/32/554676532.db2.gz YNZPZNYMRLRGFJ-KRWDZBQOSA-N 0 1 468.556 4.781 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008817656 554700717 /nfs/dbraw/zinc/70/07/17/554700717.db2.gz WWJCPVMMONSPEZ-DEOSSOPVSA-N 0 1 458.514 4.656 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000008818292 554701913 /nfs/dbraw/zinc/70/19/13/554701913.db2.gz ATNVIIWTPJTMRM-HXUWFJFHSA-N 0 1 467.294 4.762 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000008827574 554717651 /nfs/dbraw/zinc/71/76/51/554717651.db2.gz ULJNASMIGSGBGL-HXUWFJFHSA-N 0 1 483.318 4.845 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000008856430 554752523 /nfs/dbraw/zinc/75/25/23/554752523.db2.gz LKTMJZAFDFRSLH-SFHVURJKSA-N 0 1 482.945 4.983 50 30 JJEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008894819 554784313 /nfs/dbraw/zinc/78/43/13/554784313.db2.gz SGNIWSOQVKMYAU-QHCPKHFHSA-N 0 1 478.501 4.570 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000008899886 554791442 /nfs/dbraw/zinc/79/14/42/554791442.db2.gz LTQGIKPUIXDDMI-QHCPKHFHSA-N 0 1 470.997 4.967 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000008899886 554791444 /nfs/dbraw/zinc/79/14/44/554791444.db2.gz LTQGIKPUIXDDMI-QHCPKHFHSA-N 0 1 470.997 4.967 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000008901933 554795754 /nfs/dbraw/zinc/79/57/54/554795754.db2.gz SKEGOQNJNQZXSF-INIZCTEOSA-N 0 1 474.311 4.531 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008905194 554799722 /nfs/dbraw/zinc/79/97/22/554799722.db2.gz ZVLFSRDSIHOSQA-HSZRJFAPSA-N 0 1 473.485 4.556 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)c1OC ZINC000009462927 555232256 /nfs/dbraw/zinc/23/22/56/555232256.db2.gz LFLJJQQTDMQTSG-LJQANCHMSA-N 0 1 499.317 4.546 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccs3)cc2)c1 ZINC000013552519 555492774 /nfs/dbraw/zinc/49/27/74/555492774.db2.gz NWCSXYYMTOVNIO-XMMPIXPASA-N 0 1 476.598 4.775 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccs1 ZINC000013553152 555493263 /nfs/dbraw/zinc/49/32/63/555493263.db2.gz IBRZOBGPYLHLHF-HSZRJFAPSA-N 0 1 463.555 4.860 50 30 JJEAMN COc1cc([N+](=O)[O-])cc(/C=N/CCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O ZINC000019849701 555510819 /nfs/dbraw/zinc/51/08/19/555510819.db2.gz UMPZQFCATGVEGO-FOKLQQMPSA-N 0 1 456.377 4.547 50 30 JJEAMN CCOC(=O)c1c2c(sc1/N=C/c1cc(Cl)cc(Br)c1O)CN(C)CC2 ZINC000019949366 555566019 /nfs/dbraw/zinc/56/60/19/555566019.db2.gz WTHHVCPGXSCGFB-ODCIPOBUSA-N 0 1 457.777 4.785 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020029199 555604430 /nfs/dbraw/zinc/60/44/30/555604430.db2.gz BHTOGBOFJKDHMV-AREMUKBSSA-N 0 1 492.616 4.508 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000020263425 555745905 /nfs/dbraw/zinc/74/59/05/555745905.db2.gz GUVDXRHLTQTBMA-JOCHJYFZSA-N 0 1 456.970 4.612 50 30 JJEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020263786 555746071 /nfs/dbraw/zinc/74/60/71/555746071.db2.gz QRLPURCRKGTXTJ-RUZDIDTESA-N 0 1 488.584 4.641 50 30 JJEAMN N#CCCCN1CCN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)[nH]n3)cc2)CC1 ZINC000023431011 556056041 /nfs/dbraw/zinc/05/60/41/556056041.db2.gz QKPIEPIHEYWXPK-UHFFFAOYSA-N 0 1 482.632 4.796 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000024081062 556119776 /nfs/dbraw/zinc/11/97/76/556119776.db2.gz WLIWZDDBLQTPCA-DEOSSOPVSA-N 0 1 450.579 4.657 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000016734387 556155703 /nfs/dbraw/zinc/15/57/03/556155703.db2.gz KFYPSBZNVIRBRF-XMMPIXPASA-N 0 1 475.497 4.727 50 30 JJEAMN O=C(COc1ccc(Br)cc1)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000012946478 556157730 /nfs/dbraw/zinc/15/77/30/556157730.db2.gz WJMVPGLCEUOZLY-UHFFFAOYSA-N 0 1 452.106 4.664 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc3ccccc32)cc1 ZINC000026841383 556264154 /nfs/dbraw/zinc/26/41/54/556264154.db2.gz QKZSGUFVVDWWGN-VWLOTQADSA-N 0 1 467.525 4.714 50 30 JJEAMN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000032777096 556492427 /nfs/dbraw/zinc/49/24/27/556492427.db2.gz NIZTYXRLXVFQLB-UHFFFAOYSA-N 0 1 477.678 4.934 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(OCCC(C)C)c2)cc1 ZINC000008384188 569589333 /nfs/dbraw/zinc/58/93/33/569589333.db2.gz OEYSCAIAWOAZNQ-DEOSSOPVSA-N 0 1 467.562 4.735 50 30 JJEAMN N#Cc1ccc(-c2ccc(OC(=O)C[S@](=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000008763491 569602210 /nfs/dbraw/zinc/60/22/10/569602210.db2.gz MQGFBGAPVHHJSV-MGBGTMOVSA-N 0 1 474.416 4.865 50 30 JJEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000085945448 569716697 /nfs/dbraw/zinc/71/66/97/569716697.db2.gz FGDLCJMMXHJNTG-XMMPIXPASA-N 0 1 459.546 4.684 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000095201980 569721942 /nfs/dbraw/zinc/72/19/42/569721942.db2.gz MJYMBMQDCSELKW-HSZRJFAPSA-N 0 1 484.549 4.933 50 30 JJEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000095346149 569722488 /nfs/dbraw/zinc/72/24/88/569722488.db2.gz PITMAVAPCBOBPD-SIBVEZHUSA-N 0 1 485.584 4.999 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000095875808 569729253 /nfs/dbraw/zinc/72/92/53/569729253.db2.gz KMMKCGVFCCZHFH-RUZDIDTESA-N 0 1 471.557 4.679 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000100345987 569757844 /nfs/dbraw/zinc/75/78/44/569757844.db2.gz YVVDUFULXOLBLJ-HMWPJWQSSA-N 0 1 471.509 4.895 50 30 biogenic JJEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346435 569769663 /nfs/dbraw/zinc/76/96/63/569769663.db2.gz RKYSJYRUHKWTOL-DEOSSOPVSA-N 0 1 465.569 4.888 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000101062529 569780770 /nfs/dbraw/zinc/78/07/70/569780770.db2.gz JYEMFIDJTRTWKD-IBOXJLQUSA-N 0 1 459.296 4.671 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000101062532 569780797 /nfs/dbraw/zinc/78/07/97/569780797.db2.gz JYEMFIDJTRTWKD-UYTDBDHRSA-N 0 1 459.296 4.671 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000101072772 569781446 /nfs/dbraw/zinc/78/14/46/569781446.db2.gz KBJTZJRNXIZGIH-YDJIHCHBSA-N 0 1 479.286 4.984 50 30 JJEAMN CCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Br)ccc1F ZINC000101285039 569789180 /nfs/dbraw/zinc/78/91/80/569789180.db2.gz SJAAHCYRAXJIHT-GOSISDBHSA-N 0 1 451.340 4.982 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000101287217 569789371 /nfs/dbraw/zinc/78/93/71/569789371.db2.gz BQJBAUBRSVMTMS-SBXHHDGASA-N 0 1 462.590 4.532 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000101294320 569790137 /nfs/dbraw/zinc/79/01/37/569790137.db2.gz ORCPLBBAOSHBEX-ONQGDUAMSA-N 0 1 497.547 4.687 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101313342 569791982 /nfs/dbraw/zinc/79/19/82/569791982.db2.gz HBVCMRXHWDKGEX-JBCNATCCSA-N 0 1 450.878 4.828 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101313272 569792008 /nfs/dbraw/zinc/79/20/08/569792008.db2.gz DFBWXUQGJMFGPL-MOBKVPTQSA-N 0 1 480.904 4.836 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101313854 569792370 /nfs/dbraw/zinc/79/23/70/569792370.db2.gz KOZYQQOWBXXRPZ-PLWHFILJSA-N 0 1 482.536 4.592 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101864250 569806505 /nfs/dbraw/zinc/80/65/05/569806505.db2.gz LIAGXIVRRHQKPK-SBXHHDGASA-N 0 1 487.512 4.647 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102861243 569825030 /nfs/dbraw/zinc/82/50/30/569825030.db2.gz OFTUGGBHYSKBQZ-SBXHHDGASA-N 0 1 464.606 4.756 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102864142 569825426 /nfs/dbraw/zinc/82/54/26/569825426.db2.gz AKHLHZNDQJQVNW-YDJIHCHBSA-N 0 1 462.483 4.533 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccnc1)c1ccccc1 ZINC000102868921 569825775 /nfs/dbraw/zinc/82/57/75/569825775.db2.gz MVCRSHOATWHCJL-NHFXJNLRSA-N 0 1 486.578 4.852 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000103143723 569833358 /nfs/dbraw/zinc/83/33/58/569833358.db2.gz GNDCYJZSQZXHDB-IUKMQXEJSA-N 0 1 497.588 4.736 50 30 JJEAMN Cc1c(N2C(=O)C(=O)C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000104169551 569842401 /nfs/dbraw/zinc/84/24/01/569842401.db2.gz SSDVMYDPOXSJSP-QKJBWNOYSA-N 0 1 497.526 4.558 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000104192698 569842731 /nfs/dbraw/zinc/84/27/31/569842731.db2.gz DHHSPIMRPVPCLZ-SBXHHDGASA-N 0 1 451.563 4.796 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000104226521 569843363 /nfs/dbraw/zinc/84/33/63/569843363.db2.gz PXIFRXRQNAUQPE-AYWGPLOBSA-N 0 1 455.526 4.627 50 30 JJEAMN Cc1ccc2nc(NC(=O)C(=O)[C@@H](C(=O)C=Cc3ccccc3)[C@@H]3OC(=O)c4ccccc43)sc2c1 ZINC000198723597 569873878 /nfs/dbraw/zinc/87/38/78/569873878.db2.gz KFRQRZCLHLHXJP-NIPYWVSLSA-N 0 1 496.544 4.923 50 30 JJEAMN Oc1c(I)cc(I)cc1C=NNc1ccc(Cl)cc1 ZINC000252634007 570089606 /nfs/dbraw/zinc/08/96/06/570089606.db2.gz WJIJZYDIOIIEED-UHFFFAOYSA-N 0 1 498.489 4.701 50 30 JJEAMN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NCCc5cnc[nH]5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253533744 570103451 /nfs/dbraw/zinc/10/34/51/570103451.db2.gz QNQACIGXQHKRNE-AJWSMQCOSA-N 0 1 480.653 4.609 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000096294907 130051251 /nfs/dbraw/zinc/05/12/51/130051251.db2.gz XIUUWIYMYABNJN-RUZDIDTESA-N 0 1 489.572 4.738 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000096294908 130051279 /nfs/dbraw/zinc/05/12/79/130051279.db2.gz XIUUWIYMYABNJN-VWLOTQADSA-N 0 1 489.572 4.738 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCOC)cc1OC ZINC000102434653 130130766 /nfs/dbraw/zinc/13/07/66/130130766.db2.gz WXVMLHVBLOLNKN-IUKMQXEJSA-N 0 1 497.588 4.505 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1C ZINC000102436199 130131021 /nfs/dbraw/zinc/13/10/21/130131021.db2.gz AVLGZWVQFMFWHX-SBXHHDGASA-N 0 1 457.530 4.586 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102436532 130131621 /nfs/dbraw/zinc/13/16/21/130131621.db2.gz ZZUITCGKXQTEJI-ZHHPLPSFSA-N 0 1 451.563 4.759 50 30 JJEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102492066 130146187 /nfs/dbraw/zinc/14/61/87/130146187.db2.gz YKIARKJTVSNEKJ-LFVOPCPISA-N 0 1 461.455 4.732 50 30 JJEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102513766 130167229 /nfs/dbraw/zinc/16/72/29/130167229.db2.gz YKRNJZZYZCASDL-IUKMQXEJSA-N 0 1 464.606 4.576 50 30 JJEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102513766 130167233 /nfs/dbraw/zinc/16/72/33/130167233.db2.gz YKRNJZZYZCASDL-IUKMQXEJSA-N 0 1 464.606 4.576 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102513577 130167354 /nfs/dbraw/zinc/16/73/54/130167354.db2.gz ZKISRWHQFILSCZ-YDJIHCHBSA-N 0 1 462.483 4.533 50 30 JJEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000102514281 130167693 /nfs/dbraw/zinc/16/76/93/130167693.db2.gz QMXJTHDPRTVFQB-NPJIAGGLSA-N 0 1 484.552 4.772 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102535611 130190200 /nfs/dbraw/zinc/19/02/00/130190200.db2.gz USUXRFPBKJWFHY-YDJIHCHBSA-N 0 1 464.474 4.972 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102541967 130198177 /nfs/dbraw/zinc/19/81/77/130198177.db2.gz JOEQVBSFCHPCMM-IUKMQXEJSA-N 0 1 489.572 4.501 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102590147 130218389 /nfs/dbraw/zinc/21/83/89/130218389.db2.gz FLNPSZSOFKDRKE-GHZOWXKBSA-N 0 1 452.919 4.746 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102713073 130259543 /nfs/dbraw/zinc/25/95/43/130259543.db2.gz JTPGOKZVMMCPMD-NPJIAGGLSA-N 0 1 497.588 4.649 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102735160 130279228 /nfs/dbraw/zinc/27/92/28/130279228.db2.gz CPBJEEVCZKVDDL-SOIUSXPSSA-N 0 1 470.481 4.540 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102735167 130279764 /nfs/dbraw/zinc/27/97/64/130279764.db2.gz CPBJEEVCZKVDDL-RPUIFAKWSA-N 0 1 470.481 4.540 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102798434 130306415 /nfs/dbraw/zinc/30/64/15/130306415.db2.gz GGMJYHRCWMBMBX-GHNGSUTGSA-N 0 1 482.945 4.908 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102798664 130307033 /nfs/dbraw/zinc/30/70/33/130307033.db2.gz XJUFCCHPZVUTOQ-GHNGSUTGSA-N 0 1 484.480 4.533 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000102800464 130310268 /nfs/dbraw/zinc/31/02/68/130310268.db2.gz AQEJAQVUVIPGKR-AYWGPLOBSA-N 0 1 461.901 4.733 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102859871 130329928 /nfs/dbraw/zinc/32/99/28/130329928.db2.gz ABPVQVZEBGJRJY-NHFXJNLRSA-N 0 1 476.510 4.841 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000102860821 130331935 /nfs/dbraw/zinc/33/19/35/130331935.db2.gz LRVVKHCXFIHJHK-NPJIAGGLSA-N 0 1 489.572 4.583 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102862159 130334053 /nfs/dbraw/zinc/33/40/53/130334053.db2.gz ZNLCJCZCLXFBBP-WNQPQFFOSA-N 0 1 485.536 4.649 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102863595 130335235 /nfs/dbraw/zinc/33/52/35/130335235.db2.gz WXHSNDWJZWKQII-OTQMSCLFSA-N 0 1 455.510 4.641 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000102866096 130339537 /nfs/dbraw/zinc/33/95/37/130339537.db2.gz HMWAYOBSKKSKCL-CZNAVJSXSA-N 0 1 488.559 4.696 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102874166 130346268 /nfs/dbraw/zinc/34/62/68/130346268.db2.gz BXPDRHIIVUFPDK-BFLOGMOSSA-N 0 1 484.552 4.816 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102878415 130352771 /nfs/dbraw/zinc/35/27/71/130352771.db2.gz MHHFCYASJXAFNH-WOOAAIBNSA-N 0 1 499.932 4.956 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000102882027 130360254 /nfs/dbraw/zinc/36/02/54/130360254.db2.gz QNPMWDMEWQAQPR-XVTRYDTASA-N 0 1 485.536 4.736 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)nc1C ZINC000102883960 130364957 /nfs/dbraw/zinc/36/49/57/130364957.db2.gz OYEGKCKZBFIWQP-HVESIFNPSA-N 0 1 468.918 4.518 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccccc3)cc2)c1 ZINC000102890216 130371711 /nfs/dbraw/zinc/37/17/11/130371711.db2.gz BWZUWHNZXDGMPM-CZNAVJSXSA-N 0 1 470.569 4.557 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000102892583 130374813 /nfs/dbraw/zinc/37/48/13/130374813.db2.gz PHNSCRCAEHEXSD-PLWHFILJSA-N 0 1 484.552 4.816 50 30 JJEAMN CCCCN1C(=O)[C@](c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000102895699 130377988 /nfs/dbraw/zinc/37/79/88/130377988.db2.gz CYKKOVMPLMDWJH-XMMPIXPASA-N 0 1 475.511 4.972 50 30 JJEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000009187563 518497072 /nfs/dbraw/zinc/49/70/72/518497072.db2.gz VHXBVEWQFZZYGZ-QKVFXAPYSA-N 0 1 492.528 4.900 50 30 JJEAMN C=CCC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307447 518724569 /nfs/dbraw/zinc/72/45/69/518724569.db2.gz QILXFJBPCFVEQM-QFIPXVFZSA-N 0 1 453.558 4.794 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036342062 518985593 /nfs/dbraw/zinc/98/55/93/518985593.db2.gz MHRBFSHNYXINQS-QHCPKHFHSA-N 0 1 453.558 4.886 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302032 518988986 /nfs/dbraw/zinc/98/89/86/518988986.db2.gz PFAJHTUSMCEIGM-QHCPKHFHSA-N 0 1 465.594 4.756 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009008455 519011719 /nfs/dbraw/zinc/01/17/19/519011719.db2.gz MANNAECTAHJGGY-JBCNATCCSA-N 0 1 475.372 4.542 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009359473 519022898 /nfs/dbraw/zinc/02/28/98/519022898.db2.gz FHOJNIVJPPMMFY-VWLOTQADSA-N 0 1 486.524 4.529 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994539 519023046 /nfs/dbraw/zinc/02/30/46/519023046.db2.gz PIQRTWSOODHLLC-AREMUKBSSA-N 0 1 483.568 4.799 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009357827 519044226 /nfs/dbraw/zinc/04/42/26/519044226.db2.gz YUUKQCYYDKDPJD-HHHXNRCGSA-N 0 1 497.547 4.844 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009357832 519048207 /nfs/dbraw/zinc/04/82/07/519048207.db2.gz YUUKQCYYDKDPJD-MHZLTWQESA-N 0 1 497.547 4.844 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000009272997 519720780 /nfs/dbraw/zinc/72/07/80/519720780.db2.gz DCMUZGKCDJJKJH-QFIPXVFZSA-N 0 1 491.887 4.990 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009244036 519762272 /nfs/dbraw/zinc/76/22/72/519762272.db2.gz LXQOIRJFADMDLF-XMMPIXPASA-N 0 1 458.514 4.601 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009244035 519762439 /nfs/dbraw/zinc/76/24/39/519762439.db2.gz LXQOIRJFADMDLF-DEOSSOPVSA-N 0 1 458.514 4.601 50 30 JJEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009340017 519840165 /nfs/dbraw/zinc/84/01/65/519840165.db2.gz CUAPBWOCGBEDLI-NXLSWJSLSA-N 0 1 483.008 4.607 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000009994359 520332113 /nfs/dbraw/zinc/33/21/13/520332113.db2.gz AZGHSTIZDXIWON-VWLOTQADSA-N 0 1 472.541 4.966 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009008591 520432533 /nfs/dbraw/zinc/43/25/33/520432533.db2.gz LPXHSPHMTFUMMQ-SFHVURJKSA-N 0 1 498.582 4.871 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(F)cc2)cc1C ZINC000009380112 520859366 /nfs/dbraw/zinc/85/93/66/520859366.db2.gz YAYDFDIFBNWSRC-QHCPKHFHSA-N 0 1 455.526 4.928 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000016733259 520878791 /nfs/dbraw/zinc/87/87/91/520878791.db2.gz MRKYCKALWBQDGW-LJQANCHMSA-N 0 1 494.769 4.726 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2)cc1Cl ZINC000016733955 520881551 /nfs/dbraw/zinc/88/15/51/520881551.db2.gz XLJVUIKVVWVNDQ-QHCPKHFHSA-N 0 1 478.932 4.921 50 30 JJEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000016736980 520895761 /nfs/dbraw/zinc/89/57/61/520895761.db2.gz YWPQELLXQXIULQ-LJQANCHMSA-N 0 1 496.541 4.793 50 30 JJEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000009353981 520906914 /nfs/dbraw/zinc/90/69/14/520906914.db2.gz CPXUXTHKXQVWMD-IQGLISFBSA-N 0 1 479.573 4.804 50 30 JJEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000008384154 520907547 /nfs/dbraw/zinc/90/75/47/520907547.db2.gz LFJCSDQEUZGXOJ-HXUWFJFHSA-N 0 1 467.522 4.947 50 30 JJEAMN CCCCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000036093500 521118446 /nfs/dbraw/zinc/11/84/46/521118446.db2.gz YXPKRHPWUNOSFX-MNWLEOAJSA-N 0 1 455.580 4.737 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000016736414 521235588 /nfs/dbraw/zinc/23/55/88/521235588.db2.gz QDGJLDAJIFGERH-OAQYLSRUSA-N 0 1 491.525 4.783 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009066669 521238162 /nfs/dbraw/zinc/23/81/62/521238162.db2.gz YMRSGDOTUZWIKD-XMMPIXPASA-N 0 1 458.514 4.658 50 30 JJEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000015837311 521424168 /nfs/dbraw/zinc/42/41/68/521424168.db2.gz QSWAQAJFVLQKCH-NSYGIPOTSA-N 0 1 470.525 4.582 50 30 JJEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009425040 521425202 /nfs/dbraw/zinc/42/52/02/521425202.db2.gz STGZQEYPKUZQCD-FYSMJZIKSA-N 0 1 459.498 4.780 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000009175232 521611388 /nfs/dbraw/zinc/61/13/88/521611388.db2.gz IZUFHZXPLBHQPI-IBGZPJMESA-N 0 1 480.517 4.859 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009463388 522163914 /nfs/dbraw/zinc/16/39/14/522163914.db2.gz VYPADPPNPHZBAD-WXTAPIANSA-N 0 1 497.547 4.618 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009312144 522164568 /nfs/dbraw/zinc/16/45/68/522164568.db2.gz JZVNTGDFVFPEML-SSOJOUAXSA-N 0 1 483.520 4.575 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000016730497 522420181 /nfs/dbraw/zinc/42/01/81/522420181.db2.gz QGYGXPMVFGMYIY-LJQANCHMSA-N 0 1 480.517 4.777 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000009014930 522917470 /nfs/dbraw/zinc/91/74/70/522917470.db2.gz YHOCHBQQNZVUFM-LJQANCHMSA-N 0 1 499.317 4.551 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000009453467 522920186 /nfs/dbraw/zinc/92/01/86/522920186.db2.gz FSHWXHXYKODYKS-HXUWFJFHSA-N 0 1 498.532 4.708 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc(OC)c1OC ZINC000009463567 522954837 /nfs/dbraw/zinc/95/48/37/522954837.db2.gz ONNLFYFFKAZJFP-FQEVSTJZSA-N 0 1 492.509 4.698 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000009380580 523277437 /nfs/dbraw/zinc/27/74/37/523277437.db2.gz PMAZLTRYJRHSIW-GOSISDBHSA-N 0 1 464.743 4.717 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009358248 523278859 /nfs/dbraw/zinc/27/88/59/523278859.db2.gz VRJZRFUWYCURNN-HSZRJFAPSA-N 0 1 451.563 4.916 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(C)cc1 ZINC000009357332 523279690 /nfs/dbraw/zinc/27/96/90/523279690.db2.gz YFPNHSXZAAXGTE-DEOSSOPVSA-N 0 1 451.563 4.953 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Br)c2)cc1F ZINC000026459022 523564495 /nfs/dbraw/zinc/56/44/95/523564495.db2.gz WGIAZHLAACMNBQ-HXUWFJFHSA-N 0 1 486.293 4.968 50 30 JJEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 ZINC000020648068 523719001 /nfs/dbraw/zinc/71/90/01/523719001.db2.gz LCJFSVNSBGUQOT-ITYLOYPMSA-N 0 1 459.542 4.770 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000009373710 523795484 /nfs/dbraw/zinc/79/54/84/523795484.db2.gz KADOFUSYCBKCEM-BVZFJXPGSA-N 0 1 479.573 4.660 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009235256 524112201 /nfs/dbraw/zinc/11/22/01/524112201.db2.gz NQYSVTHCVBVYMV-LJQANCHMSA-N 0 1 450.447 4.820 50 30 JJEAMN Cc1cc(C)cc(/N=C/c2cc(I)cc(I)c2O)c1 ZINC000012445694 524360402 /nfs/dbraw/zinc/36/04/02/524360402.db2.gz NDHAJVLQLHCJMW-QGMBQPNBSA-N 0 1 477.083 4.969 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009374077 524384728 /nfs/dbraw/zinc/38/47/28/524384728.db2.gz WBBRAAAPNWXDOB-NRESZANFSA-N 0 1 456.454 4.786 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009424613 524977334 /nfs/dbraw/zinc/97/73/34/524977334.db2.gz SXWZOGJVSVTMGH-WNSKOXEYSA-N 0 1 460.917 4.837 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000009312362 524977435 /nfs/dbraw/zinc/97/74/35/524977435.db2.gz WFPOJSMOTTYAQH-SSOJOUAXSA-N 0 1 455.510 4.537 50 30 biogenic JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009470808 524977814 /nfs/dbraw/zinc/97/78/14/524977814.db2.gz VICSGAPIDZGUFU-UZTOHYMASA-N 0 1 482.580 4.897 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009354266 525222899 /nfs/dbraw/zinc/22/28/99/525222899.db2.gz UBXJAXKGFXRWLQ-CRICUBBOSA-N 0 1 455.510 4.797 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009375137 525390564 /nfs/dbraw/zinc/39/05/64/525390564.db2.gz QKECUFQLTFHGGC-CLYVBNDRSA-N 0 1 499.563 4.848 50 30 biogenic JJEAMN COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009339650 525393336 /nfs/dbraw/zinc/39/33/36/525393336.db2.gz NQSPGYOTOKPYAE-IBGZPJMESA-N 0 1 450.447 4.820 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009358133 525516450 /nfs/dbraw/zinc/51/64/50/525516450.db2.gz SFWGUKDYFLPPPV-MWTRTKDXSA-N 0 1 477.948 4.529 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000009312361 525518239 /nfs/dbraw/zinc/51/82/39/525518239.db2.gz WFPOJSMOTTYAQH-CRICUBBOSA-N 0 1 455.510 4.537 50 30 biogenic JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009424610 525518946 /nfs/dbraw/zinc/51/89/46/525518946.db2.gz SXWZOGJVSVTMGH-IQMFZBJNSA-N 0 1 460.917 4.837 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)c1 ZINC000009236781 525783209 /nfs/dbraw/zinc/78/32/09/525783209.db2.gz JWCOGVHLAAXCKM-NRFANRHFSA-N 0 1 479.330 4.631 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000009272953 526268321 /nfs/dbraw/zinc/26/83/21/526268321.db2.gz GGMBCJLEYIQFCH-MJGOQNOKSA-N 0 1 476.754 4.860 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000016736870 526355088 /nfs/dbraw/zinc/35/50/88/526355088.db2.gz KGKDMLHNOQVRFA-NRFANRHFSA-N 0 1 473.510 4.801 50 30 JJEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000102614940 534959642 /nfs/dbraw/zinc/95/96/42/534959642.db2.gz IKPBHCPOTILEIW-WAUVLBAPSA-N 0 1 492.528 4.743 50 30 JJEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000102514291 535122583 /nfs/dbraw/zinc/12/25/83/535122583.db2.gz QMXJTHDPRTVFQB-IUKMQXEJSA-N 0 1 484.552 4.772 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102694019 535417263 /nfs/dbraw/zinc/41/72/63/535417263.db2.gz UKVORGXONPFXMQ-ZHHPLPSFSA-N 0 1 462.502 4.795 50 30 JJEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102866243 535443176 /nfs/dbraw/zinc/44/31/76/535443176.db2.gz JZPYHWNIZJQFFB-MRJHHRETSA-N 0 1 476.510 4.923 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCCOC)ccc1O ZINC000102528089 535688310 /nfs/dbraw/zinc/68/83/10/535688310.db2.gz INJQRIHGADSSFK-NPJIAGGLSA-N 0 1 497.588 4.592 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccs1 ZINC000102721910 536854014 /nfs/dbraw/zinc/85/40/14/536854014.db2.gz OUNMEWZZOQSWIH-ZHHPLPSFSA-N 0 1 463.555 4.704 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000000702368 553761112 /nfs/dbraw/zinc/76/11/12/553761112.db2.gz UIUDSNLFWTWFOS-VWLOTQADSA-N 0 1 473.525 4.621 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(OCC)c2)cc1 ZINC000001019952 553900519 /nfs/dbraw/zinc/90/05/19/553900519.db2.gz OLMVDPLOBWJCDF-DEOSSOPVSA-N 0 1 458.514 4.658 50 30 JJEAMN Cc1c(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000001065074 553903694 /nfs/dbraw/zinc/90/36/94/553903694.db2.gz SRLVHZPFNHJSMB-VWLOTQADSA-N 0 1 479.536 4.576 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000001117543 553910523 /nfs/dbraw/zinc/91/05/23/553910523.db2.gz LHAGFBNQHPIVOG-PKOBYXMFSA-N 0 1 476.754 4.860 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Br)c2)cc1 ZINC000001120803 553911297 /nfs/dbraw/zinc/91/12/97/553911297.db2.gz GPSYXOAQYPTXIZ-FQEVSTJZSA-N 0 1 468.303 4.829 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000001177497 553926699 /nfs/dbraw/zinc/92/66/99/553926699.db2.gz HOOCBXCNVIXCBM-NRFANRHFSA-N 0 1 463.331 4.931 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000001413298 553967601 /nfs/dbraw/zinc/96/76/01/553967601.db2.gz LSSMGACONQOZBY-AREMUKBSSA-N 0 1 487.552 4.842 50 30 JJEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413456 553967960 /nfs/dbraw/zinc/96/79/60/553967960.db2.gz FOJQGCCYMZVNCF-VWLOTQADSA-N 0 1 498.510 4.915 50 30 JJEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(O)cc1 ZINC000001414763 553969158 /nfs/dbraw/zinc/96/91/58/553969158.db2.gz FMSHHLAVEISHGW-DEOSSOPVSA-N 0 1 456.473 4.834 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1OC ZINC000001454802 553974477 /nfs/dbraw/zinc/97/44/77/553974477.db2.gz QNPYRTKGAVKDIC-HXUWFJFHSA-N 0 1 499.317 4.546 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000001481293 553977272 /nfs/dbraw/zinc/97/72/72/553977272.db2.gz PFXYZAVTEYLFSI-GOSISDBHSA-N 0 1 482.945 4.983 50 30 JJEAMN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccncc4)n[nH]3)sc2C1 ZINC000002264873 554124450 /nfs/dbraw/zinc/12/44/50/554124450.db2.gz RNEWNLGZYVMKDT-AWEZNQCLSA-N 0 1 452.609 4.682 50 30 JJEAMN CCCCN1C(=O)[C@@](c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000002417794 554196312 /nfs/dbraw/zinc/19/63/12/554196312.db2.gz GJDNYQMUKZLXAG-DEOSSOPVSA-N 0 1 475.511 4.560 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000004125961 554475693 /nfs/dbraw/zinc/47/56/93/554475693.db2.gz RNSFJGIICSOUPX-HXUWFJFHSA-N 0 1 467.294 4.762 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000005919133 554496152 /nfs/dbraw/zinc/49/61/52/554496152.db2.gz JWALSCPBEQACEK-RUZDIDTESA-N 0 1 488.540 4.666 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000005919169 554496177 /nfs/dbraw/zinc/49/61/77/554496177.db2.gz JWALSCPBEQACEK-VWLOTQADSA-N 0 1 488.540 4.666 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000006195083 554518350 /nfs/dbraw/zinc/51/83/50/554518350.db2.gz MKPCEYOKBOWOIL-GOSISDBHSA-N 0 1 466.490 4.550 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000006196240 554518598 /nfs/dbraw/zinc/51/85/98/554518598.db2.gz OYKIQUXBEGEYHU-OAQYLSRUSA-N 0 1 477.542 4.593 50 30 JJEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)cc1 ZINC000008383820 554567113 /nfs/dbraw/zinc/56/71/13/554567113.db2.gz IQIVOFCJOCPMBC-BVZFJXPGSA-N 0 1 479.573 4.804 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000008741069 554643563 /nfs/dbraw/zinc/64/35/63/554643563.db2.gz IHSGSWKJPATOHN-KRWDZBQOSA-N 0 1 468.918 4.674 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)nc1C ZINC000008744020 554647028 /nfs/dbraw/zinc/64/70/28/554647028.db2.gz QZUZAPVBJURIDY-LJQANCHMSA-N 0 1 496.541 4.791 50 30 JJEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008744263 554647491 /nfs/dbraw/zinc/64/74/91/554647491.db2.gz UCYASEUULOEOPI-VWLOTQADSA-N 0 1 470.525 4.755 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000008771328 554671326 /nfs/dbraw/zinc/67/13/26/554671326.db2.gz HONZMIHFEQAYFO-GOSISDBHSA-N 0 1 498.944 4.683 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008817802 554700941 /nfs/dbraw/zinc/70/09/41/554700941.db2.gz FWSRHDZKYBIHBL-QFIPXVFZSA-N 0 1 459.458 4.560 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000008818422 554702364 /nfs/dbraw/zinc/70/23/64/554702364.db2.gz VXAHOPDYLUGBBC-JOCHJYFZSA-N 0 1 493.903 4.820 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000008836170 554735918 /nfs/dbraw/zinc/73/59/18/554735918.db2.gz WQMLQPJMSNTVHI-HXUWFJFHSA-N 0 1 476.510 4.998 50 30 JJEAMN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008837124 554737604 /nfs/dbraw/zinc/73/76/04/554737604.db2.gz SNHGLXVKNIJBFI-HSZRJFAPSA-N 0 1 479.964 4.992 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008857778 554754378 /nfs/dbraw/zinc/75/43/78/554754378.db2.gz QQGBVLZPJJAITQ-HSZRJFAPSA-N 0 1 477.948 4.770 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008905076 554799152 /nfs/dbraw/zinc/79/91/52/554799152.db2.gz NCABWLQZKAENDR-LJQANCHMSA-N 0 1 465.487 4.623 50 30 JJEAMN COc1ccc(CN(Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)cc1OC ZINC000008918141 554814181 /nfs/dbraw/zinc/81/41/81/554814181.db2.gz OIAIVSIIVUZNCT-ZVAZNERASA-N 0 1 495.616 4.826 50 30 biogenic JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009007678 554861004 /nfs/dbraw/zinc/86/10/04/554861004.db2.gz TWZBBKHDIWXHCN-GOSISDBHSA-N 0 1 498.944 4.683 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009461658 555229801 /nfs/dbraw/zinc/22/98/01/555229801.db2.gz BHUUWOFZWBPDDY-FQEVSTJZSA-N 0 1 499.317 4.546 50 30 JJEAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000009714715 555444594 /nfs/dbraw/zinc/44/45/94/555444594.db2.gz UJXOURZNIAWILV-UHFFFAOYSA-N 0 1 490.566 4.743 50 30 JJEAMN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O ZINC000019955450 555570574 /nfs/dbraw/zinc/57/05/74/555570574.db2.gz SPWCTWTYWHZQPI-PEBXRYMYSA-N 0 1 498.557 4.684 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020079774 555628824 /nfs/dbraw/zinc/62/88/24/555628824.db2.gz BDUJSDMXAHSULA-RUZDIDTESA-N 0 1 480.605 4.568 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020079774 555628826 /nfs/dbraw/zinc/62/88/26/555628826.db2.gz BDUJSDMXAHSULA-RUZDIDTESA-N 0 1 480.605 4.568 50 30 JJEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020102739 555634907 /nfs/dbraw/zinc/63/49/07/555634907.db2.gz SCXMSYNMWWNRED-RUZDIDTESA-N 0 1 464.606 4.732 50 30 JJEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020102739 555634912 /nfs/dbraw/zinc/63/49/12/555634912.db2.gz SCXMSYNMWWNRED-RUZDIDTESA-N 0 1 464.606 4.732 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024080851 556119404 /nfs/dbraw/zinc/11/94/04/556119404.db2.gz YGYGFPVHJVYVFX-DEOSSOPVSA-N 0 1 464.606 4.831 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024080851 556119406 /nfs/dbraw/zinc/11/94/06/556119406.db2.gz YGYGFPVHJVYVFX-DEOSSOPVSA-N 0 1 464.606 4.831 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000016116087 556126951 /nfs/dbraw/zinc/12/69/51/556126951.db2.gz OXYKHBLMBYPZCW-DEOSSOPVSA-N 0 1 487.512 4.866 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000024303402 556128904 /nfs/dbraw/zinc/12/89/04/556128904.db2.gz JADSTUOCKPFTMW-XMMPIXPASA-N 0 1 450.579 4.657 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000024303402 556128908 /nfs/dbraw/zinc/12/89/08/556128908.db2.gz JADSTUOCKPFTMW-XMMPIXPASA-N 0 1 450.579 4.657 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000016734379 556155692 /nfs/dbraw/zinc/15/56/92/556155692.db2.gz PTGOYNMNRDPDEW-JOCHJYFZSA-N 0 1 460.442 4.531 50 30 JJEAMN CCOc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)C(=O)C(=O)N1Cc1ccncc1 ZINC000016750454 556156835 /nfs/dbraw/zinc/15/68/35/556156835.db2.gz ZQVZJQMGRNZHRN-GKVSMKOHSA-N 0 1 470.525 4.582 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016751263 556157232 /nfs/dbraw/zinc/15/72/32/556157232.db2.gz GVHABLLXNGGFCC-UZTOHYMASA-N 0 1 498.579 4.942 50 30 JJEAMN CCC1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000017016725 556204708 /nfs/dbraw/zinc/20/47/08/556204708.db2.gz AYXDYSHKRLQVQM-FVOHMOHASA-N 0 1 464.360 4.841 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000017045255 556210785 /nfs/dbraw/zinc/21/07/85/556210785.db2.gz ZKMBHFUXQYIMCW-HXUWFJFHSA-N 0 1 464.345 4.925 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000017137840 556224153 /nfs/dbraw/zinc/22/41/53/556224153.db2.gz HLZCWSJKQXBUKX-VWLOTQADSA-N 0 1 497.588 4.662 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c(C)c1 ZINC000013110972 556311951 /nfs/dbraw/zinc/31/19/51/556311951.db2.gz VCQCMNGNJPRHPQ-DEOSSOPVSA-N 0 1 457.530 4.742 50 30 JJEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCC=C)c(C)c1 ZINC000008433272 569589521 /nfs/dbraw/zinc/58/95/21/569589521.db2.gz LRZCEUKBFHTTQE-SANMLTNESA-N 0 1 484.556 4.770 50 30 JJEAMN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000061997580 569609805 /nfs/dbraw/zinc/60/98/05/569609805.db2.gz QNAZEXBNVJKWBQ-BRDBSOAYSA-N 0 1 479.448 4.641 50 30 biogenic JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3cccc4ccccc43)ccc2O1 ZINC000035025457 569673909 /nfs/dbraw/zinc/67/39/09/569673909.db2.gz NCAFNGXNIJVUQO-GLEILKSWSA-N 0 1 469.537 4.921 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000095201979 569722073 /nfs/dbraw/zinc/72/20/73/569722073.db2.gz MJYMBMQDCSELKW-QHCPKHFHSA-N 0 1 484.549 4.933 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000095483809 569725295 /nfs/dbraw/zinc/72/52/95/569725295.db2.gz GIQMCTFGNIMCDW-QHCPKHFHSA-N 0 1 479.964 4.994 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000095483808 569725345 /nfs/dbraw/zinc/72/53/45/569725345.db2.gz GIQMCTFGNIMCDW-HSZRJFAPSA-N 0 1 479.964 4.994 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000095483837 569725379 /nfs/dbraw/zinc/72/53/79/569725379.db2.gz SYRDDNLNXNXYJI-RUZDIDTESA-N 0 1 489.572 4.658 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097952425 569747381 /nfs/dbraw/zinc/74/73/81/569747381.db2.gz KNECMBHCBUFVCC-DEOSSOPVSA-N 0 1 459.546 4.649 50 30 JJEAMN CCCOC(=O)c1cc(/N=C/c2cc(Br)cc(Cl)c2O)ccc1N1CCOCC1 ZINC000098087271 569750597 /nfs/dbraw/zinc/75/05/97/569750597.db2.gz SCGCAGYHOCMXFL-ZMOGYAJESA-N 0 1 481.774 4.962 50 30 JJEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000100114422 569753186 /nfs/dbraw/zinc/75/31/86/569753186.db2.gz HTEJYTUFZSNRAA-YPKPFQOOSA-N 0 1 458.543 4.856 50 30 JJEAMN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000100134851 569753547 /nfs/dbraw/zinc/75/35/47/569753547.db2.gz ABEGTQXUQVCJAG-JLCFBVMHSA-N 0 1 498.557 4.685 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342127 569765474 /nfs/dbraw/zinc/76/54/74/569765474.db2.gz RFHOMKUYTLXYHD-XMMPIXPASA-N 0 1 465.569 4.888 50 30 JJEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346388 569769744 /nfs/dbraw/zinc/76/97/44/569769744.db2.gz ITKSKTVKPSWCBH-QHCPKHFHSA-N 0 1 453.558 4.888 50 30 JJEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Br)cc1 ZINC000101069888 569781051 /nfs/dbraw/zinc/78/10/51/569781051.db2.gz XEVKDMPRAMGAJP-LFVOPCPISA-N 0 1 483.274 4.572 50 30 JJEAMN Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)s1 ZINC000101101348 569782955 /nfs/dbraw/zinc/78/29/55/569782955.db2.gz LMUTUYOJHQLZBG-GHNGSUTGSA-N 0 1 484.375 4.539 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000101287384 569789547 /nfs/dbraw/zinc/78/95/47/569789547.db2.gz ZYIDGMHSRRZKRX-AYWGPLOBSA-N 0 1 477.948 4.613 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000101287817 569789735 /nfs/dbraw/zinc/78/97/35/569789735.db2.gz VFNHVTUZGUHSHM-ZHHPLPSFSA-N 0 1 477.948 4.613 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000101502671 569800939 /nfs/dbraw/zinc/80/09/39/569800939.db2.gz RVBMHYDVZTXGQJ-HOGKFDNTSA-N 0 1 491.887 4.833 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000102861160 569824962 /nfs/dbraw/zinc/82/49/62/569824962.db2.gz QOMIVLPPWNQVND-NHFXJNLRSA-N 0 1 498.532 4.551 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000102863152 569825236 /nfs/dbraw/zinc/82/52/36/569825236.db2.gz SUDWOICXUZMUTQ-GHNGSUTGSA-N 0 1 464.743 4.561 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102864146 569825410 /nfs/dbraw/zinc/82/54/10/569825410.db2.gz AKHLHZNDQJQVNW-NHFXJNLRSA-N 0 1 462.483 4.533 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102876173 569826515 /nfs/dbraw/zinc/82/65/15/569826515.db2.gz OMKKWMFWKTZHOM-YDJIHCHBSA-N 0 1 464.345 4.769 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102927651 569826966 /nfs/dbraw/zinc/82/69/66/569826966.db2.gz WPMSJTJNVJOYBV-NPJIAGGLSA-N 0 1 489.572 4.501 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102929024 569827455 /nfs/dbraw/zinc/82/74/55/569827455.db2.gz WTVVJJRWUBSTKK-JBCNATCCSA-N 0 1 476.510 4.841 50 30 JJEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000102933306 569829029 /nfs/dbraw/zinc/82/90/29/569829029.db2.gz UFPZKZASTGQZFL-NXLSWJSLSA-N 0 1 473.573 4.701 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)ccc1O ZINC000104066948 569840289 /nfs/dbraw/zinc/84/02/89/569840289.db2.gz RYRKFAWYKPKLHS-GHNGSUTGSA-N 0 1 456.907 4.527 50 30 JJEAMN COC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000052634616 569852428 /nfs/dbraw/zinc/85/24/28/569852428.db2.gz CCJWFSADCWJSPQ-DHZHZOJOSA-N 0 1 493.611 4.609 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000245280872 570062026 /nfs/dbraw/zinc/06/20/26/570062026.db2.gz VDOUYLSVLOAYEW-AOYPEHQESA-N 0 1 491.632 4.732 50 30 JJEAMN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000245324841 570064050 /nfs/dbraw/zinc/06/40/50/570064050.db2.gz AHVKCAGDQPGHOF-ZOCZFRKYSA-N 0 1 454.983 4.804 50 30 JJEAMN Cc1ccc(N=Cc2cc(I)cc(I)c2O)cc1C ZINC000252588598 570083797 /nfs/dbraw/zinc/08/37/97/570083797.db2.gz ACVJNCXFSJOGIZ-UHFFFAOYSA-N 0 1 477.083 4.969 50 30 JJEAMN CCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)SC1=Nc1ccc(OCC)cc1 ZINC000252636741 570090037 /nfs/dbraw/zinc/09/00/37/570090037.db2.gz XLYSTHUOZSBKMB-PTOVGEMASA-N 0 1 457.508 4.722 50 30 JJEAMN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=NOCC(=O)NCCc5cnc[nH]5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533749 570103425 /nfs/dbraw/zinc/10/34/25/570103425.db2.gz QNQACIGXQHKRNE-SRBHMCLOSA-N 0 1 480.653 4.609 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1F ZINC000001134891 194041680 /nfs/dbraw/zinc/04/16/80/194041680.db2.gz BVWQEDBGNWBFKX-NRFANRHFSA-N 0 1 497.320 4.770 50 30 JJEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000004008714 194369318 /nfs/dbraw/zinc/36/93/18/194369318.db2.gz YOUQBGAPVJKKRC-JOCHJYFZSA-N 0 1 493.361 4.659 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000096301081 130053937 /nfs/dbraw/zinc/05/39/37/130053937.db2.gz OUUMHLUSAOMNTE-XMMPIXPASA-N 0 1 459.546 4.649 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000096321724 130064983 /nfs/dbraw/zinc/06/49/83/130064983.db2.gz XIJYOLZALSPMFY-OAQYLSRUSA-N 0 1 486.355 4.867 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102368737 130122627 /nfs/dbraw/zinc/12/26/27/130122627.db2.gz NQHDHQZLEKRHPR-ZHHPLPSFSA-N 0 1 479.964 4.836 50 30 JJEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102492072 130146218 /nfs/dbraw/zinc/14/62/18/130146218.db2.gz YKIARKJTVSNEKJ-WOOAAIBNSA-N 0 1 461.455 4.732 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1C ZINC000102493663 130148122 /nfs/dbraw/zinc/14/81/22/130148122.db2.gz DEODSEHRRXKVQI-SBXHHDGASA-N 0 1 457.530 4.586 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102499147 130153127 /nfs/dbraw/zinc/15/31/27/130153127.db2.gz WWJIPBRBWPWFMN-NPJIAGGLSA-N 0 1 488.540 4.510 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102503098 130157256 /nfs/dbraw/zinc/15/72/56/130157256.db2.gz GRDPBRUATAGGKV-JBCNATCCSA-N 0 1 476.510 4.841 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102513296 130166657 /nfs/dbraw/zinc/16/66/57/130166657.db2.gz VYASGSHPROKQEV-YDJIHCHBSA-N 0 1 464.474 4.972 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102513284 130166707 /nfs/dbraw/zinc/16/67/07/130166707.db2.gz VYASGSHPROKQEV-NHFXJNLRSA-N 0 1 464.474 4.972 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102537317 130192264 /nfs/dbraw/zinc/19/22/64/130192264.db2.gz OYAVOGBXXSGIOR-SBXHHDGASA-N 0 1 458.514 4.501 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000102540527 130195675 /nfs/dbraw/zinc/19/56/75/130195675.db2.gz JWTYGXYYPSGIIK-JBCNATCCSA-N 0 1 492.459 4.930 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000102556659 130206020 /nfs/dbraw/zinc/20/60/20/130206020.db2.gz HMBLIQOUNFAPOB-IUKMQXEJSA-N 0 1 488.540 4.510 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102581343 130216489 /nfs/dbraw/zinc/21/64/89/130216489.db2.gz IVGDWVSRCNBLLD-QJGVGSKSSA-N 0 1 497.370 4.855 50 30 JJEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)c1 ZINC000102624360 130226573 /nfs/dbraw/zinc/22/65/73/130226573.db2.gz ATZSHGPDCZUAIC-MOBKVPTQSA-N 0 1 492.553 4.720 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102627827 130227137 /nfs/dbraw/zinc/22/71/37/130227137.db2.gz FFHIEUJJQVUSNH-GHZOWXKBSA-N 0 1 452.919 4.746 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102663322 130234748 /nfs/dbraw/zinc/23/47/48/130234748.db2.gz IVGDWVSRCNBLLD-QPAAHAPSSA-N 0 1 497.370 4.855 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102723410 130268473 /nfs/dbraw/zinc/26/84/73/130268473.db2.gz MBLFEGGMEYSMNQ-WOOAAIBNSA-N 0 1 480.542 4.889 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccs3)cc2)c1 ZINC000102727618 130272049 /nfs/dbraw/zinc/27/20/49/130272049.db2.gz ZWLWLMSFLSNRHS-SBXHHDGASA-N 0 1 476.598 4.619 50 30 JJEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102770894 130295378 /nfs/dbraw/zinc/29/53/78/130295378.db2.gz ZECLMPHUAZQMKE-ONLXDWTESA-N 0 1 485.584 4.842 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102799840 130309133 /nfs/dbraw/zinc/30/91/33/130309133.db2.gz MKTNJYYSMZRXJL-IDTYTIONSA-N 0 1 474.947 4.579 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102800163 130309632 /nfs/dbraw/zinc/30/96/32/130309632.db2.gz HPVZAZVFNGDWPW-OBVHCKHUSA-N 0 1 488.521 4.919 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102803060 130310769 /nfs/dbraw/zinc/31/07/69/130310769.db2.gz SFDMJTYHSHHTTO-GROYHEBESA-N 0 1 486.908 4.657 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102805250 130313100 /nfs/dbraw/zinc/31/31/00/130313100.db2.gz ZPVPGARNPSTKFF-UYTDBDHRSA-N 0 1 488.974 4.969 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102857407 130327213 /nfs/dbraw/zinc/32/72/13/130327213.db2.gz TVDBLCKKQUVSFC-ZHHPLPSFSA-N 0 1 480.517 4.944 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102858897 130329411 /nfs/dbraw/zinc/32/94/11/130329411.db2.gz XDDZBERWQZIMTA-LFVOPCPISA-N 0 1 453.267 4.610 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102867636 130340584 /nfs/dbraw/zinc/34/05/84/130340584.db2.gz IXBHETSOZXWSGS-NXLSWJSLSA-N 0 1 488.540 4.510 50 30 JJEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000102873587 130344770 /nfs/dbraw/zinc/34/47/70/130344770.db2.gz QOIQZBXQNIIALE-SELCWUDQSA-N 0 1 469.906 4.948 50 30 JJEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000102877379 130350472 /nfs/dbraw/zinc/35/04/72/130350472.db2.gz LPAZTFOVSSRQOA-UUALVTFQSA-N 0 1 491.547 4.986 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102882813 130362016 /nfs/dbraw/zinc/36/20/16/130362016.db2.gz ZXPYJOQKVRXDHX-WOOAAIBNSA-N 0 1 450.447 4.663 50 30 JJEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102883981 130364904 /nfs/dbraw/zinc/36/49/04/130364904.db2.gz DYJDUUALCISIQM-CJJGVWJISA-N 0 1 485.536 4.521 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000102888692 130369527 /nfs/dbraw/zinc/36/95/27/130369527.db2.gz VXMSXMNGIGANKT-LFVOPCPISA-N 0 1 453.292 4.680 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000102892580 130374766 /nfs/dbraw/zinc/37/47/66/130374766.db2.gz PHNSCRCAEHEXSD-BFLOGMOSSA-N 0 1 484.552 4.816 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102893586 130375395 /nfs/dbraw/zinc/37/53/95/130375395.db2.gz UQLXSRDIONKNNJ-UUALVTFQSA-N 0 1 499.563 4.911 50 30 JJEAMN C=CCC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000036306711 518722598 /nfs/dbraw/zinc/72/25/98/518722598.db2.gz ZPRJDHFJCNKUPU-NRFANRHFSA-N 0 1 453.558 4.794 50 30 JJEAMN C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O ZINC000033347481 518838193 /nfs/dbraw/zinc/83/81/93/518838193.db2.gz HAILKVCUYDMHNV-LICLKQGHSA-N 0 1 475.328 4.619 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016731912 519022200 /nfs/dbraw/zinc/02/22/00/519022200.db2.gz AMFKKXLUBBEAAL-IRLDBZIGSA-N 0 1 453.922 4.662 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009471294 519042736 /nfs/dbraw/zinc/04/27/36/519042736.db2.gz OERKCMKIVBOGJY-AREMUKBSSA-N 0 1 483.520 4.801 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009424081 519061963 /nfs/dbraw/zinc/06/19/63/519061963.db2.gz UNHSMQQKJQVGSO-QYBDOPJKSA-N 0 1 482.536 4.748 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000016737291 519063067 /nfs/dbraw/zinc/06/30/67/519063067.db2.gz RFLSBNWDKSVNPO-QFIPXVFZSA-N 0 1 491.569 4.983 50 30 JJEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020444199 520258089 /nfs/dbraw/zinc/25/80/89/520258089.db2.gz KFRJCXCZJYNPMZ-NIYFSFCBSA-N 0 1 492.616 4.719 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009428643 520331681 /nfs/dbraw/zinc/33/16/81/520331681.db2.gz BBVSLNKEAWKLQC-DEOSSOPVSA-N 0 1 458.514 4.658 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009271369 520421897 /nfs/dbraw/zinc/42/18/97/520421897.db2.gz ZIXVORFFJIKRTC-HSZRJFAPSA-N 0 1 479.964 4.994 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000016737360 520431608 /nfs/dbraw/zinc/43/16/08/520431608.db2.gz HWUVSIXRVSSMSU-DEOSSOPVSA-N 0 1 477.513 4.864 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009424060 520470060 /nfs/dbraw/zinc/47/00/60/520470060.db2.gz GFFMRZOELPOCND-DWXRJYCRSA-N 0 1 484.552 4.972 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009424273 520472361 /nfs/dbraw/zinc/47/23/61/520472361.db2.gz RYUPGGPHUVLNIE-DEOSSOPVSA-N 0 1 475.497 4.618 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009354198 520773924 /nfs/dbraw/zinc/77/39/24/520773924.db2.gz MODTUWUZOMIRRN-MRDQGFSESA-N 0 1 485.536 4.893 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000016700982 520858558 /nfs/dbraw/zinc/85/85/58/520858558.db2.gz GTJQHMUHVRAFDN-XMMPIXPASA-N 0 1 483.561 4.503 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1C ZINC000009019721 520859640 /nfs/dbraw/zinc/85/96/40/520859640.db2.gz URBLPHXINOZCFX-XMMPIXPASA-N 0 1 457.530 4.742 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(CC)cc2)cc1Cl ZINC000016733215 520875579 /nfs/dbraw/zinc/87/55/79/520875579.db2.gz MCBHVVFJASWWAR-QFIPXVFZSA-N 0 1 457.954 4.916 50 30 JJEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)c1 ZINC000009124183 520909785 /nfs/dbraw/zinc/90/97/85/520909785.db2.gz VTPIFWHMKUSBFN-QFIPXVFZSA-N 0 1 492.553 4.876 50 30 JJEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000015837308 521417457 /nfs/dbraw/zinc/41/74/57/521417457.db2.gz QSWAQAJFVLQKCH-SSOJOUAXSA-N 0 1 470.525 4.582 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000016729395 521611022 /nfs/dbraw/zinc/61/10/22/521611022.db2.gz DPOKEHDVLIZMEL-IBGZPJMESA-N 0 1 498.507 4.998 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000009043014 521611990 /nfs/dbraw/zinc/61/19/90/521611990.db2.gz IZUFHZXPLBHQPI-LJQANCHMSA-N 0 1 480.517 4.859 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccccc2F)nc1C ZINC000009472276 521612027 /nfs/dbraw/zinc/61/20/27/521612027.db2.gz AKBMNNKUCBUPCQ-LJQANCHMSA-N 0 1 498.507 4.998 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)nc1C ZINC000009046120 522418648 /nfs/dbraw/zinc/41/86/48/522418648.db2.gz PIXGXSUCEHBVSY-QGZVFWFLSA-N 0 1 468.918 4.674 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccccc2F)nc1C ZINC000016730503 522419279 /nfs/dbraw/zinc/41/92/79/522419279.db2.gz AAAWDJICWPEWJQ-GOSISDBHSA-N 0 1 484.480 4.608 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc(OC)c1OC ZINC000009463566 522918025 /nfs/dbraw/zinc/91/80/25/522918025.db2.gz ONNLFYFFKAZJFP-HXUWFJFHSA-N 0 1 492.509 4.698 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009312983 522919494 /nfs/dbraw/zinc/91/94/94/522919494.db2.gz RCBKGRHRMFOMOX-PUAOIOHZSA-N 0 1 471.509 4.503 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 ZINC000009379683 523276326 /nfs/dbraw/zinc/27/63/26/523276326.db2.gz MKNALJJAPMIVDM-SFHVURJKSA-N 0 1 464.743 4.717 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009379795 523279241 /nfs/dbraw/zinc/27/92/41/523279241.db2.gz BLJPRCQBWFJMTB-IBGZPJMESA-N 0 1 450.318 4.617 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000016806155 523283195 /nfs/dbraw/zinc/28/31/95/523283195.db2.gz ZFDRTVVVBNRQFQ-MZNJEOGPSA-N 0 1 463.574 4.922 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(O)cc1 ZINC000009461206 523283766 /nfs/dbraw/zinc/28/37/66/523283766.db2.gz GJPWEUWRZPWYMO-AREMUKBSSA-N 0 1 487.552 4.894 50 30 JJEAMN COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000016734123 523790859 /nfs/dbraw/zinc/79/08/59/523790859.db2.gz YBAZQZQVMDDLCO-HSZRJFAPSA-N 0 1 487.980 4.998 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009370837 523793439 /nfs/dbraw/zinc/79/34/39/523793439.db2.gz KQYMZCICOQXRCU-XMMPIXPASA-N 0 1 459.498 4.712 50 30 JJEAMN COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N(CC(C)C)CC(C)C)cc1 ZINC000009310008 524061985 /nfs/dbraw/zinc/06/19/85/524061985.db2.gz PFMSCTXICNPPTR-QFIPXVFZSA-N 0 1 459.594 4.680 50 30 JJEAMN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)c3)sc2C1 ZINC000004641587 524721626 /nfs/dbraw/zinc/72/16/26/524721626.db2.gz ZALBVFCZWMGWPC-CQSZACIVSA-N 0 1 496.570 4.706 50 30 JJEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1Cc1cccnc1 ZINC000009242469 524803290 /nfs/dbraw/zinc/80/32/90/524803290.db2.gz RBXJAZGWLLMODC-DEOSSOPVSA-N 0 1 458.514 4.656 50 30 JJEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(O)cc1 ZINC000009380451 525368817 /nfs/dbraw/zinc/36/88/17/525368817.db2.gz AYNHDFAHOKOQOG-VWLOTQADSA-N 0 1 472.541 4.909 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000009472419 525387723 /nfs/dbraw/zinc/38/77/23/525387723.db2.gz VJANNPSSISLYML-QFIPXVFZSA-N 0 1 451.450 4.523 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000009313101 525518679 /nfs/dbraw/zinc/51/86/79/525518679.db2.gz WFPOJSMOTTYAQH-NSYGIPOTSA-N 0 1 455.510 4.537 50 30 biogenic JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009312208 525519075 /nfs/dbraw/zinc/51/90/75/525519075.db2.gz ZXROLLMNOPGWIP-MWTRTKDXSA-N 0 1 477.948 4.529 50 30 JJEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009008461 526252789 /nfs/dbraw/zinc/25/27/89/526252789.db2.gz SZYPJBOGURLXPG-LJQANCHMSA-N 0 1 461.455 4.889 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009424325 526268340 /nfs/dbraw/zinc/26/83/40/526268340.db2.gz RYFPCOLEQKELTO-XMMPIXPASA-N 0 1 475.928 4.932 50 30 JJEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Br)cc1 ZINC000009435217 526269155 /nfs/dbraw/zinc/26/91/55/526269155.db2.gz UMXALKDQLXJZQJ-LJQANCHMSA-N 0 1 483.274 4.729 50 30 JJEAMN O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 ZINC000009359590 526269442 /nfs/dbraw/zinc/26/94/42/526269442.db2.gz DNPMLHWGTHUBLR-SANMLTNESA-N 0 1 477.520 4.834 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009461790 526269508 /nfs/dbraw/zinc/26/95/08/526269508.db2.gz YMDYNEJUVFJJHU-IBGZPJMESA-N 0 1 453.267 4.766 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000016742351 526354764 /nfs/dbraw/zinc/35/47/64/526354764.db2.gz VFXXQWYIABSRQX-OAQYLSRUSA-N 0 1 473.510 4.801 50 30 JJEAMN Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)s1 ZINC000013691032 526689222 /nfs/dbraw/zinc/68/92/22/526689222.db2.gz MYCSAWNRBZRQTH-SFHVURJKSA-N 0 1 484.375 4.696 50 30 JJEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Br)c1 ZINC000009046254 526834306 /nfs/dbraw/zinc/83/43/06/526834306.db2.gz GTKFTXFOBRJRER-SFHVURJKSA-N 0 1 455.333 4.684 50 30 JJEAMN Cc1[nH]c(SCC(=O)Nc2[nH]c(Cc3ccccc3)c(C)c2C#N)nc1Cc1ccc(O)cc1 ZINC000012372026 527017723 /nfs/dbraw/zinc/01/77/23/527017723.db2.gz JNLQKLGKWHTJML-UHFFFAOYSA-N 0 1 471.586 4.844 50 30 JJEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000102614947 534959178 /nfs/dbraw/zinc/95/91/78/534959178.db2.gz IKPBHCPOTILEIW-NSEAICKMSA-N 0 1 492.528 4.743 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102556766 534967930 /nfs/dbraw/zinc/96/79/30/534967930.db2.gz PQDHXZXQVQLYCO-SBXHHDGASA-N 0 1 464.606 4.755 50 30 JJEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102770898 535373703 /nfs/dbraw/zinc/37/37/03/535373703.db2.gz ZECLMPHUAZQMKE-NKHPTUSLSA-N 0 1 485.584 4.842 50 30 JJEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000102401843 535373792 /nfs/dbraw/zinc/37/37/92/535373792.db2.gz CNVSDCJWQUTDDU-NPJIAGGLSA-N 0 1 470.525 4.598 50 30 JJEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102694609 535830090 /nfs/dbraw/zinc/83/00/90/535830090.db2.gz NDSWJSBTYQUDKY-YDJIHCHBSA-N 0 1 475.482 4.986 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(C)cc1 ZINC000102511773 536539443 /nfs/dbraw/zinc/53/94/43/536539443.db2.gz OKUJDYMASHGNGJ-SBXHHDGASA-N 0 1 451.563 4.796 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000000625755 553714152 /nfs/dbraw/zinc/71/41/52/553714152.db2.gz ULNFDEUIBFLFKB-HKUYNNGSSA-N 0 1 476.754 4.860 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000001110115 553909134 /nfs/dbraw/zinc/90/91/34/553909134.db2.gz SLNJOVXJMSJUCL-NRFANRHFSA-N 0 1 483.307 4.896 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000001155152 553918776 /nfs/dbraw/zinc/91/87/76/553918776.db2.gz NDVCPBZDBHZYHE-LJQANCHMSA-N 0 1 496.516 4.559 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001186070 553930634 /nfs/dbraw/zinc/93/06/34/553930634.db2.gz RZSLDOCKYHEUIR-RLMNYEENSA-N 0 1 456.454 4.786 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2ccccc2)cc1 ZINC000001413295 553967159 /nfs/dbraw/zinc/96/71/59/553967159.db2.gz UZQJOEWAJILJPE-VWLOTQADSA-N 0 1 473.525 4.533 50 30 JJEAMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)cc1OC ZINC000001413334 553967657 /nfs/dbraw/zinc/96/76/57/553967657.db2.gz QPWXYLACCAKDGS-HSZRJFAPSA-N 0 1 463.555 4.895 50 30 JJEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(O)c1 ZINC000001414761 553969123 /nfs/dbraw/zinc/96/91/23/553969123.db2.gz UJZSPXRVFBRAMT-DEOSSOPVSA-N 0 1 456.473 4.834 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2F)nc1C ZINC000001481223 553977302 /nfs/dbraw/zinc/97/73/02/553977302.db2.gz HNWVOCCGGRPDRX-LJQANCHMSA-N 0 1 496.516 4.559 50 30 JJEAMN COc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)ccc1OCc1c(F)cccc1Cl ZINC000001915887 554003567 /nfs/dbraw/zinc/00/35/67/554003567.db2.gz ZBLVZOSLHQTYEW-KTZMUZOWSA-N 0 1 460.840 4.848 50 30 JJEAMN C[C@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000002337350 554154690 /nfs/dbraw/zinc/15/46/90/554154690.db2.gz KCHJLGPZGNDIDD-RDPSFJRHSA-N 0 1 494.574 4.580 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002501865 554229599 /nfs/dbraw/zinc/22/95/99/554229599.db2.gz YIIICWILLGSJLD-LJQANCHMSA-N 0 1 467.934 4.848 50 30 JJEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000002863466 554389849 /nfs/dbraw/zinc/38/98/49/554389849.db2.gz XNUIQJWHESYIAP-AREMUKBSSA-N 0 1 495.501 4.964 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000005918675 554495806 /nfs/dbraw/zinc/49/58/06/554495806.db2.gz VNORAFYEJQPBTB-FQEVSTJZSA-N 0 1 467.522 4.947 50 30 JJEAMN Cc1ccc(/N=C/c2cc(I)cc(I)c2O)cc1C ZINC000008426985 554582239 /nfs/dbraw/zinc/58/22/39/554582239.db2.gz ACVJNCXFSJOGIZ-QGMBQPNBSA-N 0 1 477.083 4.969 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000008743770 554646674 /nfs/dbraw/zinc/64/66/74/554646674.db2.gz JHGZJGAMIMPMTG-HSZRJFAPSA-N 0 1 478.501 4.570 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000008771332 554671305 /nfs/dbraw/zinc/67/13/05/554671305.db2.gz HONZMIHFEQAYFO-SFHVURJKSA-N 0 1 498.944 4.683 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccs2)nc1C ZINC000008779271 554676122 /nfs/dbraw/zinc/67/61/22/554676122.db2.gz FWOQNYNKOMGVCI-QGZVFWFLSA-N 0 1 484.530 4.778 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000008817594 554700710 /nfs/dbraw/zinc/70/07/10/554700710.db2.gz GEJQPRPMNKQLLZ-ONQGDUAMSA-N 0 1 484.596 4.866 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000008817594 554700711 /nfs/dbraw/zinc/70/07/11/554700711.db2.gz GEJQPRPMNKQLLZ-ONQGDUAMSA-N 0 1 484.596 4.866 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c1 ZINC000008836641 554736790 /nfs/dbraw/zinc/73/67/90/554736790.db2.gz BFCZQYTVVHOXPY-NRFANRHFSA-N 0 1 479.330 4.631 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(OC)c2)cc1Cl ZINC000008836747 554737081 /nfs/dbraw/zinc/73/70/81/554737081.db2.gz QPPAUYGYQYIUFY-QHCPKHFHSA-N 0 1 495.963 4.612 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008859873 554756354 /nfs/dbraw/zinc/75/63/54/554756354.db2.gz NQLKWHOAPHRYFQ-VWLOTQADSA-N 0 1 488.540 4.666 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008892631 554780970 /nfs/dbraw/zinc/78/09/70/554780970.db2.gz KOIVAFPSVKPMII-VWLOTQADSA-N 0 1 489.572 4.739 50 30 JJEAMN Cc1c(N2C(=O)C(=O)C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000008996149 554856589 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COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccco3)sc2c1 ZINC000102726062 130270738 /nfs/dbraw/zinc/27/07/38/130270738.db2.gz ZTVPBZYRKUTJAH-JBCNATCCSA-N 0 1 476.510 4.841 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102806082 130312998 /nfs/dbraw/zinc/31/29/98/130312998.db2.gz IRMUPKQSZHRSNY-NPJIAGGLSA-N 0 1 488.540 4.510 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102867637 130340888 /nfs/dbraw/zinc/34/08/88/130340888.db2.gz IXBHETSOZXWSGS-SBXHHDGASA-N 0 1 488.540 4.510 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102874163 130346170 /nfs/dbraw/zinc/34/61/70/130346170.db2.gz BXPDRHIIVUFPDK-IOUQRVAPSA-N 0 1 484.552 4.816 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102874170 130346418 /nfs/dbraw/zinc/34/64/18/130346418.db2.gz BXPDRHIIVUFPDK-XCSSDTEYSA-N 0 1 484.552 4.816 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102878862 130353445 /nfs/dbraw/zinc/35/34/45/130353445.db2.gz LCTLEBUCVVFSRT-WOOAAIBNSA-N 0 1 480.473 4.672 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102879347 130354191 /nfs/dbraw/zinc/35/41/91/130354191.db2.gz YDNZNBQZYGPBLQ-YDJIHCHBSA-N 0 1 468.506 4.543 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102879955 130355089 /nfs/dbraw/zinc/35/50/89/130355089.db2.gz GBVDJNIGEGEVKW-IUKMQXEJSA-N 0 1 473.525 4.946 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102883060 130362765 /nfs/dbraw/zinc/36/27/65/130362765.db2.gz PIFWZVRORQEISB-MRJHHRETSA-N 0 1 487.493 4.839 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3cccnc3)cc2)c1 ZINC000102887231 130368594 /nfs/dbraw/zinc/36/85/94/130368594.db2.gz AVWZTPFLLKOYJW-ONQGDUAMSA-N 0 1 491.547 4.986 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102925026 130395008 /nfs/dbraw/zinc/39/50/08/130395008.db2.gz PFZQWOKLEXDGHQ-LFVOPCPISA-N 0 1 480.517 4.702 50 30 JJEAMN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036305014 518310062 /nfs/dbraw/zinc/31/00/62/518310062.db2.gz SVIKMNLXHIGXAY-OAQYLSRUSA-N 0 1 465.981 4.508 50 30 JJEAMN C=CCN(CC=C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000009130246 518767843 /nfs/dbraw/zinc/76/78/43/518767843.db2.gz VCDLGUDMTSSPJW-UHFFFAOYSA-N 0 1 469.788 4.718 50 30 JJEAMN C=CCN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000021930436 518790705 /nfs/dbraw/zinc/79/07/05/518790705.db2.gz UBAJUXPLHBRHLW-UHFFFAOYSA-N 0 1 471.560 4.594 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)nc1C ZINC000006144027 518979327 /nfs/dbraw/zinc/97/93/27/518979327.db2.gz ZKAPDHRPLPECSA-GOSISDBHSA-N 0 1 480.567 4.947 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000036307254 518986207 /nfs/dbraw/zinc/98/62/07/518986207.db2.gz RMTVATQYHGUXJV-UKILVPOCSA-N 0 1 495.595 4.563 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146758 518993294 /nfs/dbraw/zinc/99/32/94/518993294.db2.gz JFMXKDOJRJWUQD-UXHICEINSA-N 0 1 467.368 4.691 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304648 518993419 /nfs/dbraw/zinc/99/34/19/518993419.db2.gz BDBZPQJKJQVJHJ-XMMPIXPASA-N 0 1 477.605 4.757 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009067171 519022542 /nfs/dbraw/zinc/02/25/42/519022542.db2.gz SYQORLFHLYSAPO-VWLOTQADSA-N 0 1 470.525 4.824 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009424179 519060919 /nfs/dbraw/zinc/06/09/19/519060919.db2.gz RPTZNEAZDDKBMA-HHHXNRCGSA-N 0 1 497.547 4.844 50 30 JJEAMN CC(=O)N1c2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2C[C@H]1C ZINC000015961096 519638841 /nfs/dbraw/zinc/63/88/41/519638841.db2.gz USQYVFMSGAJDOH-PRMNVEQPSA-N 0 1 452.146 4.965 50 30 JJEAMN CC(C)CNC(=O)CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021722605 519733427 /nfs/dbraw/zinc/73/34/27/519733427.db2.gz XPUSKCODFKIIDU-RUZDIDTESA-N 0 1 451.592 4.807 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009358311 519762124 /nfs/dbraw/zinc/76/21/24/519762124.db2.gz JRPQYMDFRHTTBM-JOCHJYFZSA-N 0 1 456.970 4.515 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009358311 519762125 /nfs/dbraw/zinc/76/21/25/519762125.db2.gz JRPQYMDFRHTTBM-JOCHJYFZSA-N 0 1 456.970 4.515 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009460855 519762295 /nfs/dbraw/zinc/76/22/95/519762295.db2.gz DBPSYQQBFACKLX-XMMPIXPASA-N 0 1 487.512 4.803 50 30 JJEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c1 ZINC000009458824 520257688 /nfs/dbraw/zinc/25/76/88/520257688.db2.gz LBZBTJRNMDNGCU-VWLOTQADSA-N 0 1 495.572 4.642 50 30 JJEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000009312546 520259078 /nfs/dbraw/zinc/25/90/78/520259078.db2.gz BPYCVHIWZUJMFO-IQGLISFBSA-N 0 1 479.573 4.804 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009270898 520328480 /nfs/dbraw/zinc/32/84/80/520328480.db2.gz KCKBJVLFAAYBCB-HSZRJFAPSA-N 0 1 479.964 4.994 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000022275865 520329188 /nfs/dbraw/zinc/32/91/88/520329188.db2.gz OOZBDJCGIDFYGF-QFIPXVFZSA-N 0 1 456.970 4.577 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000022275865 520329193 /nfs/dbraw/zinc/32/91/93/520329193.db2.gz OOZBDJCGIDFYGF-QFIPXVFZSA-N 0 1 456.970 4.577 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccco2)cc1 ZINC000009460984 520331374 /nfs/dbraw/zinc/33/13/74/520331374.db2.gz LVDWKKWUDQYPBY-LJQANCHMSA-N 0 1 496.541 4.793 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000009993897 520332149 /nfs/dbraw/zinc/33/21/49/520332149.db2.gz ZUUYZHJDYPYHLM-VWLOTQADSA-N 0 1 472.541 4.966 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000016731222 520422830 /nfs/dbraw/zinc/42/28/30/520422830.db2.gz NHPUDFRBIYEIQD-XMMPIXPASA-N 0 1 476.504 4.797 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009045046 520432419 /nfs/dbraw/zinc/43/24/19/520432419.db2.gz YYSFEMSJVJOOEC-IBGZPJMESA-N 0 1 496.541 4.711 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009271370 520432642 /nfs/dbraw/zinc/43/26/42/520432642.db2.gz ZIXVORFFJIKRTC-QHCPKHFHSA-N 0 1 479.964 4.994 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009292597 520467711 /nfs/dbraw/zinc/46/77/11/520467711.db2.gz XCFITRNXDWEDBL-WXTAPIANSA-N 0 1 484.552 4.972 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009292596 520471434 /nfs/dbraw/zinc/47/14/34/520471434.db2.gz XCFITRNXDWEDBL-QYBDOPJKSA-N 0 1 484.552 4.972 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nnc(C(C)C)s2)ccc1O ZINC000016750853 520774403 /nfs/dbraw/zinc/77/44/03/520774403.db2.gz SZVIHHHEKZCVJU-LJQANCHMSA-N 0 1 483.521 4.688 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009354204 520774531 /nfs/dbraw/zinc/77/45/31/520774531.db2.gz MODTUWUZOMIRRN-WGDIFIGCSA-N 0 1 485.536 4.893 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000004019666 520780701 /nfs/dbraw/zinc/78/07/01/520780701.db2.gz DKLHEEBGLAWQEU-QHCPKHFHSA-N 0 1 459.454 4.909 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009160914 520859780 /nfs/dbraw/zinc/85/97/80/520859780.db2.gz ZWKWUZUHESYDCL-XMMPIXPASA-N 0 1 458.514 4.745 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1C ZINC000009019722 520863591 /nfs/dbraw/zinc/86/35/91/520863591.db2.gz URBLPHXINOZCFX-DEOSSOPVSA-N 0 1 457.530 4.742 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009123306 520877446 /nfs/dbraw/zinc/87/74/46/520877446.db2.gz KWCCBMCMIKPWAG-IBGZPJMESA-N 0 1 450.318 4.617 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009472329 521237804 /nfs/dbraw/zinc/23/78/04/521237804.db2.gz GANKQODYBBVFBC-JOCHJYFZSA-N 0 1 451.450 4.605 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000016741833 521265427 /nfs/dbraw/zinc/26/54/27/521265427.db2.gz NHCKDMBHIJGZGL-FQEVSTJZSA-N 0 1 461.499 4.774 50 30 JJEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000015837072 521415211 /nfs/dbraw/zinc/41/52/11/521415211.db2.gz BDAXWNHGIAPYRL-CRICUBBOSA-N 0 1 470.525 4.582 50 30 JJEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000009424792 521415789 /nfs/dbraw/zinc/41/57/89/521415789.db2.gz BNJPJAGVIDCKNB-RUZDIDTESA-N 0 1 471.509 4.635 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000016729398 521610674 /nfs/dbraw/zinc/61/06/74/521610674.db2.gz DPOKEHDVLIZMEL-LJQANCHMSA-N 0 1 498.507 4.998 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009186823 522167242 /nfs/dbraw/zinc/16/72/42/522167242.db2.gz MTHNDZPFLWIJIU-LJQANCHMSA-N 0 1 478.457 4.598 50 30 JJEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000016742352 522171360 /nfs/dbraw/zinc/17/13/60/522171360.db2.gz NQEMKAZOMKQEJW-FQEVSTJZSA-N 0 1 474.494 4.767 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000016730494 522419465 /nfs/dbraw/zinc/41/94/65/522419465.db2.gz QGYGXPMVFGMYIY-IBGZPJMESA-N 0 1 480.517 4.777 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009380655 523279960 /nfs/dbraw/zinc/27/99/60/523279960.db2.gz DFHCCLRAEWWAEP-HSZRJFAPSA-N 0 1 451.563 4.916 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(O)c1 ZINC000009506711 523283471 /nfs/dbraw/zinc/28/34/71/523283471.db2.gz CRIDXARXQNTEQS-AREMUKBSSA-N 0 1 487.552 4.894 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Br)cc2)cc1F ZINC000016731192 523564325 /nfs/dbraw/zinc/56/43/25/523564325.db2.gz NIKJBPXYPMDRHU-OAQYLSRUSA-N 0 1 497.320 4.770 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccnc3)ccc2O1 ZINC000009242925 524977715 /nfs/dbraw/zinc/97/77/15/524977715.db2.gz GABCEJYYHWXBPB-WHEQGISXSA-N 0 1 487.512 4.937 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009453838 524978626 /nfs/dbraw/zinc/97/86/26/524978626.db2.gz VICSGAPIDZGUFU-PPHZAIPVSA-N 0 1 482.580 4.897 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000012468639 525050776 /nfs/dbraw/zinc/05/07/76/525050776.db2.gz BQCVCUNVKIFUCW-GOSISDBHSA-N 0 1 457.255 4.668 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009354268 525220880 /nfs/dbraw/zinc/22/08/80/525220880.db2.gz UBXJAXKGFXRWLQ-SSOJOUAXSA-N 0 1 455.510 4.797 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000009349728 525221171 /nfs/dbraw/zinc/22/11/71/525221171.db2.gz RUTNSHUJRQXWOS-RUZDIDTESA-N 0 1 488.540 4.665 50 30 JJEAMN COc1ccc([C@@H]2C(C(C)=O)C(Nc3ccc(Br)cc3)=C[C@](C)(O)[C@@H]2C(C)=O)cc1 ZINC000015188537 525224291 /nfs/dbraw/zinc/22/42/91/525224291.db2.gz FFFRFJNTNOZHDD-SMIHKQSGSA-N 0 1 472.379 4.856 50 30 JJEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000009066761 525368976 /nfs/dbraw/zinc/36/89/76/525368976.db2.gz VMYQZULWINSLHZ-XMMPIXPASA-N 0 1 457.530 4.598 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000009177984 525374364 /nfs/dbraw/zinc/37/43/64/525374364.db2.gz MQLQMCTXDAYLDF-AREMUKBSSA-N 0 1 488.559 4.853 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000009177984 525374368 /nfs/dbraw/zinc/37/43/68/525374368.db2.gz MQLQMCTXDAYLDF-AREMUKBSSA-N 0 1 488.559 4.853 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009312596 525389226 /nfs/dbraw/zinc/38/92/26/525389226.db2.gz NQIKOKWTCIABTQ-QUGAMOGWSA-N 0 1 485.536 4.806 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009375139 525390405 /nfs/dbraw/zinc/39/04/05/525390405.db2.gz QKECUFQLTFHGGC-MYUZEXMDSA-N 0 1 499.563 4.848 50 30 biogenic JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000009353154 525517912 /nfs/dbraw/zinc/51/79/12/525517912.db2.gz HKLXYZIPVZNAGZ-GYCJOSAFSA-N 0 1 470.481 4.697 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009374801 525518860 /nfs/dbraw/zinc/51/88/60/525518860.db2.gz LOGURDIKTHQRQL-BLVKFPJESA-N 0 1 452.919 4.903 50 30 JJEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009071471 526252467 /nfs/dbraw/zinc/25/24/67/526252467.db2.gz SZYPJBOGURLXPG-IBGZPJMESA-N 0 1 461.455 4.889 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000009471242 526268265 /nfs/dbraw/zinc/26/82/65/526268265.db2.gz RIYQMNUPROTRRO-DEOSSOPVSA-N 0 1 475.928 4.932 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000009067839 526271520 /nfs/dbraw/zinc/27/15/20/526271520.db2.gz VJOGIKYJKRUROU-INIZCTEOSA-N 0 1 486.303 4.597 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000016736872 526355257 /nfs/dbraw/zinc/35/52/57/526355257.db2.gz KGKDMLHNOQVRFA-OAQYLSRUSA-N 0 1 473.510 4.801 50 30 JJEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000102650029 535093117 /nfs/dbraw/zinc/09/31/17/535093117.db2.gz LYTWCECIBREQLS-YJBPAFNHSA-N 0 1 479.573 4.647 50 30 JJEAMN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000096279716 535208443 /nfs/dbraw/zinc/20/84/43/535208443.db2.gz ABEGTQXUQVCJAG-RCDICMHDSA-N 0 1 498.557 4.685 50 30 JJEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102401848 535373767 /nfs/dbraw/zinc/37/37/67/535373767.db2.gz OQHPPAKWFKKYGN-SBXHHDGASA-N 0 1 459.498 4.796 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102557024 535416658 /nfs/dbraw/zinc/41/66/58/535416658.db2.gz SYBHZCAESBYTTK-SBXHHDGASA-N 0 1 492.528 4.804 50 30 JJEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102698513 535830522 /nfs/dbraw/zinc/83/05/22/535830522.db2.gz BQOYJQXKEWDQCC-YDJIHCHBSA-N 0 1 475.482 4.986 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102926190 537055253 /nfs/dbraw/zinc/05/52/53/537055253.db2.gz VFUSSJHZUFXKOR-LFVOPCPISA-N 0 1 493.522 4.901 50 30 JJEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000000702935 553761755 /nfs/dbraw/zinc/76/17/55/553761755.db2.gz ONILDDAGWAPUOG-FQEVSTJZSA-N 0 1 474.494 4.889 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000001110116 553909141 /nfs/dbraw/zinc/90/91/41/553909141.db2.gz SLNJOVXJMSJUCL-OAQYLSRUSA-N 0 1 483.307 4.896 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C)cc2)nc1C ZINC000001153175 553917416 /nfs/dbraw/zinc/91/74/16/553917416.db2.gz GHAMYILYWHTIJG-GOSISDBHSA-N 0 1 466.515 4.621 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000001155300 553918724 /nfs/dbraw/zinc/91/87/24/553918724.db2.gz LVTSMYGDUCMPBF-IBGZPJMESA-N 0 1 496.516 4.559 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001155156 553918735 /nfs/dbraw/zinc/91/87/35/553918735.db2.gz HILUCKHGUUUCAX-QFIPXVFZSA-N 0 1 459.458 4.560 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000001155151 553918745 /nfs/dbraw/zinc/91/87/45/553918745.db2.gz NDVCPBZDBHZYHE-IBGZPJMESA-N 0 1 496.516 4.559 50 30 JJEAMN C=CCc1cc(C=C2C(=O)NC(=S)N(c3cccc(OCC)c3)C2=O)cc(OCC)c1O ZINC000001203280 553932300 /nfs/dbraw/zinc/93/23/00/553932300.db2.gz CYVPOUPZVQKXKH-XDHOZWIPSA-N 0 1 452.532 4.590 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2ccc(F)cc2)c1 ZINC000001413327 553967526 /nfs/dbraw/zinc/96/75/26/553967526.db2.gz SQHKCRPNBCIIJE-VWLOTQADSA-N 0 1 491.515 4.673 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H]2c2ccc(F)cc2)c1 ZINC000001413328 553967561 /nfs/dbraw/zinc/96/75/61/553967561.db2.gz SQHKCRPNBCIIJE-RUZDIDTESA-N 0 1 491.515 4.673 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000001413517 553968266 /nfs/dbraw/zinc/96/82/66/553968266.db2.gz BKLWLDLCKXMOIV-AREMUKBSSA-N 0 1 498.535 4.712 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000001481292 553977311 /nfs/dbraw/zinc/97/73/11/553977311.db2.gz PFXYZAVTEYLFSI-SFHVURJKSA-N 0 1 482.945 4.983 50 30 JJEAMN C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5 ZINC000001825788 553992995 /nfs/dbraw/zinc/99/29/95/553992995.db2.gz MZAYMHMGOUESCQ-FQYQUSJJSA-N 0 1 481.633 4.642 50 30 biogenic JJEAMN C[C@@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000002337353 554154630 /nfs/dbraw/zinc/15/46/30/554154630.db2.gz KCHJLGPZGNDIDD-YKSBVNFPSA-N 0 1 494.574 4.580 50 30 JJEAMN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000002634182 554255238 /nfs/dbraw/zinc/25/52/38/554255238.db2.gz DEVBVLXBIWQFCP-UHFFFAOYSA-N 0 1 470.396 4.890 50 30 JJEAMN COc1ccc(C=Nn2c(C(F)F)n[nH]c2=S)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000002792528 554348020 /nfs/dbraw/zinc/34/80/20/554348020.db2.gz FEFWUASEXINXDW-GZIVZEMBSA-N 0 1 469.857 4.536 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000006406259 554533533 /nfs/dbraw/zinc/53/35/33/554533533.db2.gz UAHDZDAWDJHHNZ-ICSRJNTNSA-N 0 1 456.336 4.515 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000008741470 554643976 /nfs/dbraw/zinc/64/39/76/554643976.db2.gz AYHJMQNCWLNOEL-QFIPXVFZSA-N 0 1 494.931 4.539 50 30 JJEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000008818174 554701624 /nfs/dbraw/zinc/70/16/24/554701624.db2.gz CGZKECMHVJCQFQ-LJQANCHMSA-N 0 1 453.292 4.524 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000008837346 554738076 /nfs/dbraw/zinc/73/80/76/554738076.db2.gz MOJZVMSPCNGZDC-QGZVFWFLSA-N 0 1 471.332 4.697 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000008837756 554738800 /nfs/dbraw/zinc/73/88/00/554738800.db2.gz AKCIPJYGANWZPF-NRFANRHFSA-N 0 1 476.510 4.998 50 30 JJEAMN C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000008845449 554742611 /nfs/dbraw/zinc/74/26/11/554742611.db2.gz GOLAQTYORYVUOT-MHZLTWQESA-N 0 1 482.540 4.886 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008857981 554754477 /nfs/dbraw/zinc/75/44/77/554754477.db2.gz YSHZJKZADZAFIT-QHCPKHFHSA-N 0 1 473.485 4.557 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008857779 554754574 /nfs/dbraw/zinc/75/45/74/554754574.db2.gz QQGBVLZPJJAITQ-QHCPKHFHSA-N 0 1 477.948 4.770 50 30 JJEAMN C=CCCCCCCCCC(=O)Oc1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC=C)CC[C@]314 ZINC000008964524 554838479 /nfs/dbraw/zinc/83/84/79/554838479.db2.gz DQQNIOSHMHOPOK-UDKDNODWSA-N 0 1 493.644 4.808 50 30 biogenic JJEAMN N#Cc1ccc(Cn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000008968897 554843026 /nfs/dbraw/zinc/84/30/26/554843026.db2.gz XTSQDXSCLAMHCQ-WSDLNYQXSA-N 0 1 450.454 4.657 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000008996546 554857394 /nfs/dbraw/zinc/85/73/94/554857394.db2.gz YCRUNARZKWFFBD-AREMUKBSSA-N 0 1 488.559 4.853 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008997015 554858624 /nfs/dbraw/zinc/85/86/24/554858624.db2.gz ZUIZRKXSGWQGLB-QHCPKHFHSA-N 0 1 479.964 4.992 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000009008046 554862205 /nfs/dbraw/zinc/86/22/05/554862205.db2.gz DPUCANLPKQKYLF-INIZCTEOSA-N 0 1 459.296 4.828 50 30 JJEAMN N#Cc1ccccc1Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000009013431 554864953 /nfs/dbraw/zinc/86/49/53/554864953.db2.gz HSXFKTCEMVKUPP-WSDLNYQXSA-N 0 1 450.454 4.657 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009324686 555097296 /nfs/dbraw/zinc/09/72/96/555097296.db2.gz IRMDLKIQOQKZLI-QFIPXVFZSA-N 0 1 491.887 4.990 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000013282813 555370874 /nfs/dbraw/zinc/37/08/74/555370874.db2.gz XAHLRMJHSDZGIQ-AREMUKBSSA-N 0 1 486.568 4.936 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccs1 ZINC000013553151 555493194 /nfs/dbraw/zinc/49/31/94/555493194.db2.gz IBRZOBGPYLHLHF-QHCPKHFHSA-N 0 1 463.555 4.860 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000013570886 555509130 /nfs/dbraw/zinc/50/91/30/555509130.db2.gz JLTAFOVDUNHBRZ-QHCPKHFHSA-N 0 1 455.526 4.784 50 30 JJEAMN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000013619158 555537603 /nfs/dbraw/zinc/53/76/03/555537603.db2.gz AHVKCAGDQPGHOF-WHSLLNHNSA-N 0 1 454.983 4.804 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000019938313 555556213 /nfs/dbraw/zinc/55/62/13/555556213.db2.gz VUXHPRSPHSKLAF-RUZDIDTESA-N 0 1 476.617 4.997 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000019938313 555556216 /nfs/dbraw/zinc/55/62/16/555556216.db2.gz VUXHPRSPHSKLAF-RUZDIDTESA-N 0 1 476.617 4.997 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020029350 555604901 /nfs/dbraw/zinc/60/49/01/555604901.db2.gz NQBJNHJJIWRJNB-DEOSSOPVSA-N 0 1 450.579 4.737 50 30 JJEAMN CCCCC1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000013750230 555608809 /nfs/dbraw/zinc/60/88/09/555608809.db2.gz YXPKRHPWUNOSFX-SNPIYUIBSA-N 0 1 455.580 4.737 50 30 JJEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000020103324 555635617 /nfs/dbraw/zinc/63/56/17/555635617.db2.gz PBIOQYWAPGXTIS-AREMUKBSSA-N 0 1 488.559 4.853 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccccc3F)cc2)c1 ZINC000020229491 555720316 /nfs/dbraw/zinc/72/03/16/555720316.db2.gz YGXGIPOKAFLLIE-AREMUKBSSA-N 0 1 488.559 4.853 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000020264010 555746200 /nfs/dbraw/zinc/74/62/00/555746200.db2.gz NRXLSKGEKHLETB-QFIPXVFZSA-N 0 1 470.997 4.786 50 30 JJEAMN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(C)cc2[O-])[C@@H]1c1ccc(C)cc1 ZINC000020309949 555767692 /nfs/dbraw/zinc/76/76/92/555767692.db2.gz NJKCNCMIZKQTDM-DEOSSOPVSA-N 0 1 450.579 4.628 50 30 JJEAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000015013454 555855194 /nfs/dbraw/zinc/85/51/94/555855194.db2.gz PWJVXKNXISQMTR-NDENLUEZSA-N 0 1 474.973 4.759 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024116139 556122291 /nfs/dbraw/zinc/12/22/91/556122291.db2.gz KZDIZAASPKMGHU-RUZDIDTESA-N 0 1 476.617 4.997 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000016116085 556126933 /nfs/dbraw/zinc/12/69/33/556126933.db2.gz OXYKHBLMBYPZCW-XMMPIXPASA-N 0 1 487.512 4.866 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000026459113 556254575 /nfs/dbraw/zinc/25/45/75/556254575.db2.gz KMQOZYFETNCONA-QHCPKHFHSA-N 0 1 481.476 4.613 50 30 JJEAMN CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000018254427 556316926 /nfs/dbraw/zinc/31/69/26/556316926.db2.gz KQKQWAMHRGXWTD-QHCPKHFHSA-N 0 1 463.603 4.984 50 30 JJEAMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000032682250 556470452 /nfs/dbraw/zinc/47/04/52/556470452.db2.gz KPKFRMVLRNJDQJ-SFHVURJKSA-N 0 1 464.934 4.518 50 30 JJEAMN COc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000032946167 556560835 /nfs/dbraw/zinc/56/08/35/556560835.db2.gz FREOFBSTHZJWAG-UHFFFAOYSA-N 0 1 455.002 4.907 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008440550 569589983 /nfs/dbraw/zinc/58/99/83/569589983.db2.gz YHMWYAYVJPFJPP-FQEVSTJZSA-N 0 1 462.329 4.783 50 30 JJEAMN COc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1N1CCCN(Cc2cccc(C)c2)C1=O ZINC000034739871 569655181 /nfs/dbraw/zinc/65/51/81/569655181.db2.gz YIVFZECPBCOUAB-UHFFFAOYSA-N 0 1 490.585 4.508 50 30 JJEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000085892437 569716486 /nfs/dbraw/zinc/71/64/86/569716486.db2.gz XYBJDYDVMGCNIG-OAQYLSRUSA-N 0 1 480.362 4.623 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316193 569762444 /nfs/dbraw/zinc/76/24/44/569762444.db2.gz MXPHGMUMNUGZKT-OAQYLSRUSA-N 0 1 451.542 4.546 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036342001 569765074 /nfs/dbraw/zinc/76/50/74/569765074.db2.gz CJUFGRZUZZHILO-JOCHJYFZSA-N 0 1 453.558 4.886 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000101075847 569781515 /nfs/dbraw/zinc/78/15/15/569781515.db2.gz FEODSMOCPFXPPK-NHFXJNLRSA-N 0 1 479.286 4.984 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000101287387 569789531 /nfs/dbraw/zinc/78/95/31/569789531.db2.gz ZYIDGMHSRRZKRX-ZHHPLPSFSA-N 0 1 477.948 4.613 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000101294328 569790114 /nfs/dbraw/zinc/79/01/14/569790114.db2.gz JEFLSTJLACALOR-CZNAVJSXSA-N 0 1 483.520 4.645 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101313344 569792040 /nfs/dbraw/zinc/79/20/40/569792040.db2.gz HBVCMRXHWDKGEX-MRJHHRETSA-N 0 1 450.878 4.828 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000101313655 569792236 /nfs/dbraw/zinc/79/22/36/569792236.db2.gz DHCMYSOYSCKPFU-OTQMSCLFSA-N 0 1 471.509 4.790 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000101313651 569792258 /nfs/dbraw/zinc/79/22/58/569792258.db2.gz DHCMYSOYSCKPFU-NEMSTITPSA-N 0 1 471.509 4.790 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000102863147 569825207 /nfs/dbraw/zinc/82/52/07/569825207.db2.gz SUDWOICXUZMUTQ-SELCWUDQSA-N 0 1 464.743 4.561 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102864091 569825377 /nfs/dbraw/zinc/82/53/77/569825377.db2.gz KGHHTTBHMGAFEQ-SBXHHDGASA-N 0 1 450.579 4.582 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccccc2)nc1C ZINC000102872850 569825885 /nfs/dbraw/zinc/82/58/85/569825885.db2.gz LBOYFCOBEHQTRH-SELCWUDQSA-N 0 1 498.944 4.526 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102927654 569826945 /nfs/dbraw/zinc/82/69/45/569826945.db2.gz WPMSJTJNVJOYBV-IUKMQXEJSA-N 0 1 489.572 4.501 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000102928258 569827136 /nfs/dbraw/zinc/82/71/36/569827136.db2.gz DKMVSFRSRWIUGV-ONDFOOFZSA-N 0 1 479.573 4.503 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102928401 569827222 /nfs/dbraw/zinc/82/72/22/569827222.db2.gz LKKNZHSHQOCTRJ-SELCWUDQSA-N 0 1 498.944 4.526 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102931660 569828579 /nfs/dbraw/zinc/82/85/79/569828579.db2.gz TXNSAHONBXXIOV-YDJIHCHBSA-N 0 1 479.514 4.693 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c(C)c1 ZINC000103129441 569833128 /nfs/dbraw/zinc/83/31/28/569833128.db2.gz JLOHTDKXYYBMLN-NXLSWJSLSA-N 0 1 457.530 4.586 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000103143724 569833364 /nfs/dbraw/zinc/83/33/64/569833364.db2.gz GNDCYJZSQZXHDB-NPJIAGGLSA-N 0 1 497.588 4.736 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000104008371 569839866 /nfs/dbraw/zinc/83/98/66/569839866.db2.gz FQJSNKIXTNWOIX-ONLXDWTESA-N 0 1 493.600 4.893 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000104076474 569840398 /nfs/dbraw/zinc/84/03/98/569840398.db2.gz VPIXYXOUXQKMIH-GFPXOENDSA-N 0 1 471.509 4.895 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000104244434 569844050 /nfs/dbraw/zinc/84/40/50/569844050.db2.gz WAWQNWPWRRRMCJ-IBOXJLQUSA-N 0 1 459.296 4.671 50 30 JJEAMN Cc1ccc(OCCN2CCN(c3c4c(c(C#N)c5nc6ccccc6n53)CCCC4)CC2)cc1 ZINC000052634673 569852486 /nfs/dbraw/zinc/85/24/86/569852486.db2.gz YXFLCXUMJLHMTF-UHFFFAOYSA-N 0 1 465.601 4.747 50 30 JJEAMN C=CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679524 569869876 /nfs/dbraw/zinc/86/98/76/569869876.db2.gz MOIGOBBSAICLMG-UNMCSNQZSA-N 0 1 463.931 4.524 50 30 JJEAMN CCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)SC1=Nc1ccc(OCC)cc1 ZINC000252636740 570089968 /nfs/dbraw/zinc/08/99/68/570089968.db2.gz XLYSTHUOZSBKMB-OCFWRVAFSA-N 0 1 457.508 4.722 50 30 JJEAMN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NN=C2NC(=O)C(C)S2)cc1Cl ZINC000252642014 570090592 /nfs/dbraw/zinc/09/05/92/570090592.db2.gz ZIDIPXMURACPDA-CQSZACIVSA-N 0 1 487.990 4.511 50 30 JJEAMN Cc1ccc(C[NH+]2CCN(N=Cc3cc(Br)cc(Br)c3[O-])CC2)c(C)c1 ZINC000253483585 570099589 /nfs/dbraw/zinc/09/95/89/570099589.db2.gz DOEKYFOIVSMARJ-UHFFFAOYSA-N 0 1 481.232 4.686 50 30 aggregator JJEAMN CCc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)c(C#N)c2OCC(F)(F)F)cc1 ZINC000001040840 194008159 /nfs/dbraw/zinc/00/81/59/194008159.db2.gz HOGOZDSPYXMXHD-UHFFFAOYSA-N 0 1 482.402 4.804 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[nH]1)C1CCCCC1 ZINC000036207585 128298203 /nfs/dbraw/zinc/29/82/03/128298203.db2.gz SXWRIHHGKMDOCJ-QFIPXVFZSA-N 0 1 481.662 4.967 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000096301082 130053989 /nfs/dbraw/zinc/05/39/89/130053989.db2.gz OUUMHLUSAOMNTE-DEOSSOPVSA-N 0 1 459.546 4.649 50 30 JJEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102401866 130125968 /nfs/dbraw/zinc/12/59/68/130125968.db2.gz GIIHBLISJMOPOA-IUKMQXEJSA-N 0 1 470.525 4.598 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102506319 130160819 /nfs/dbraw/zinc/16/08/19/130160819.db2.gz PDBXOLHRRRQEJO-YDJIHCHBSA-N 0 1 494.500 4.980 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccco2)cc1 ZINC000102514056 130167681 /nfs/dbraw/zinc/16/76/81/130167681.db2.gz CIIWCDBCFMHHRB-WOOAAIBNSA-N 0 1 496.541 4.636 50 30 JJEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102527449 130180026 /nfs/dbraw/zinc/18/00/26/130180026.db2.gz YBXPZPYYKNMYJX-WOOAAIBNSA-N 0 1 494.525 4.910 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102547292 130201569 /nfs/dbraw/zinc/20/15/69/130201569.db2.gz RUVMFCUKTSSKLA-SBXHHDGASA-N 0 1 486.480 4.790 50 30 JJEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102558841 130208217 /nfs/dbraw/zinc/20/82/17/130208217.db2.gz AKIOIELHENSJLE-NPJIAGGLSA-N 0 1 489.524 4.852 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102578985 130215856 /nfs/dbraw/zinc/21/58/56/130215856.db2.gz WWYCQIHGVSPWJE-GHZOWXKBSA-N 0 1 497.370 4.855 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102645979 130229732 /nfs/dbraw/zinc/22/97/32/130229732.db2.gz JZOLGWIMIHCPKK-NEMSTITPSA-N 0 1 484.508 4.583 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)nc1C ZINC000102696303 130243194 /nfs/dbraw/zinc/24/31/94/130243194.db2.gz DXNNCJMYNPKHRP-UYTDBDHRSA-N 0 1 488.974 4.969 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccncc3)cc2)c1 ZINC000102700574 130246491 /nfs/dbraw/zinc/24/64/91/130246491.db2.gz WZXMTUKEMHDFLW-ONQGDUAMSA-N 0 1 491.547 4.986 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccncc3)cc2)c1 ZINC000102700580 130246524 /nfs/dbraw/zinc/24/65/24/130246524.db2.gz WZXMTUKEMHDFLW-UUALVTFQSA-N 0 1 491.547 4.986 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)nc1C ZINC000102733565 130277417 /nfs/dbraw/zinc/27/74/17/130277417.db2.gz KWKRBPQBTUNTQI-GROYHEBESA-N 0 1 468.556 4.624 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccnc3)cc2)c1 ZINC000102733396 130277448 /nfs/dbraw/zinc/27/74/48/130277448.db2.gz RXGFWSLVYOCYQC-ONQGDUAMSA-N 0 1 491.547 4.986 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102735251 130279815 /nfs/dbraw/zinc/27/98/15/130279815.db2.gz NRMQHOGQBHVZPJ-YMMFOPJESA-N 0 1 470.481 4.540 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102799777 130309045 /nfs/dbraw/zinc/30/90/45/130309045.db2.gz JZZNBMXPDQJMDL-WOOAAIBNSA-N 0 1 450.447 4.663 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 ZINC000102799773 130309057 /nfs/dbraw/zinc/30/90/57/130309057.db2.gz JZZNBMXPDQJMDL-LFVOPCPISA-N 0 1 450.447 4.663 50 30 JJEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102800167 130309507 /nfs/dbraw/zinc/30/95/07/130309507.db2.gz HPVZAZVFNGDWPW-PGVNHDJNSA-N 0 1 488.521 4.919 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102800460 130310291 /nfs/dbraw/zinc/31/02/91/130310291.db2.gz AQEJAQVUVIPGKR-ZHHPLPSFSA-N 0 1 461.901 4.733 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102806116 130313051 /nfs/dbraw/zinc/31/30/51/130313051.db2.gz JHPPYFJYIIUAOZ-IUKMQXEJSA-N 0 1 488.540 4.595 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102806166 130313413 /nfs/dbraw/zinc/31/34/13/130313413.db2.gz ITCFMKCHGLQTJL-WOOAAIBNSA-N 0 1 459.285 4.925 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102860152 130330519 /nfs/dbraw/zinc/33/05/19/130330519.db2.gz VLKWEBXSBIYZRH-MRJHHRETSA-N 0 1 494.500 4.980 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102863592 130335076 /nfs/dbraw/zinc/33/50/76/130335076.db2.gz WXHSNDWJZWKQII-NEMSTITPSA-N 0 1 455.510 4.641 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102863587 130335214 /nfs/dbraw/zinc/33/52/14/130335214.db2.gz WXHSNDWJZWKQII-IIHDFJPDSA-N 0 1 455.510 4.641 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102863590 130335253 /nfs/dbraw/zinc/33/52/53/130335253.db2.gz WXHSNDWJZWKQII-MWCANZRFSA-N 0 1 455.510 4.641 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102883749 130364392 /nfs/dbraw/zinc/36/43/92/130364392.db2.gz CQJZBVORCPZBRV-MOBKVPTQSA-N 0 1 466.490 4.636 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102891368 130372764 /nfs/dbraw/zinc/37/27/64/130372764.db2.gz KWBXHZYPAARGDY-LFVOPCPISA-N 0 1 459.285 4.925 50 30 JJEAMN CCCCN1C(=O)[C@@](c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000102895701 130377936 /nfs/dbraw/zinc/37/79/36/130377936.db2.gz CYKKOVMPLMDWJH-DEOSSOPVSA-N 0 1 475.511 4.972 50 30 JJEAMN C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C1CCN(C(=O)OCC)CC1)C2 ZINC000012278385 518251682 /nfs/dbraw/zinc/25/16/82/518251682.db2.gz IURBOETZHGHFOE-UHFFFAOYSA-N 0 1 468.619 4.941 50 30 JJEAMN C#CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC ZINC000036301891 518309315 /nfs/dbraw/zinc/30/93/15/518309315.db2.gz XHNHUQATRUROHX-HSZRJFAPSA-N 0 1 498.023 4.858 50 30 JJEAMN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(C)C ZINC000036303723 518311377 /nfs/dbraw/zinc/31/13/77/518311377.db2.gz JVBHIMSOHQSORS-HSZRJFAPSA-N 0 1 467.997 4.848 50 30 JJEAMN C#CCOc1c(Br)cc([C@@H]2NCCc3cc(OCC)c(OCC)cc32)cc1OC ZINC000020494595 518316056 /nfs/dbraw/zinc/31/60/56/518316056.db2.gz QGWLRKFYBIJAGV-QFIPXVFZSA-N 0 1 460.368 4.502 50 30 JJEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O ZINC000000728779 518839639 /nfs/dbraw/zinc/83/96/39/518839639.db2.gz HAILKVCUYDMHNV-YVLHZVERSA-N 0 1 475.328 4.619 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146761 518989339 /nfs/dbraw/zinc/98/93/39/518989339.db2.gz JFMXKDOJRJWUQD-PMACEKPBSA-N 0 1 467.368 4.691 50 30 JJEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303940 518991629 /nfs/dbraw/zinc/99/16/29/518991629.db2.gz IAWICJCBTKQWIE-HSZRJFAPSA-N 0 1 465.594 4.757 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[nH]1)C1CCCCC1 ZINC000036207586 518995733 /nfs/dbraw/zinc/99/57/33/518995733.db2.gz SXWRIHHGKMDOCJ-JOCHJYFZSA-N 0 1 481.662 4.967 50 30 JJEAMN CC(C)(C)c1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c2C#N)cc1 ZINC000008654669 519009071 /nfs/dbraw/zinc/00/90/71/519009071.db2.gz PEVUZESHWIMPAL-UHFFFAOYSA-N 0 1 452.967 4.990 50 30 aggregator JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016732451 519022647 /nfs/dbraw/zinc/02/26/47/519022647.db2.gz IQXGNPNFNUZMQX-RBBKRZOGSA-N 0 1 498.373 4.771 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000016730567 519023383 /nfs/dbraw/zinc/02/33/83/519023383.db2.gz GXZMTSYBBXAQSP-VWLOTQADSA-N 0 1 454.526 4.987 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2C)cc1OC ZINC000011915273 519043507 /nfs/dbraw/zinc/04/35/07/519043507.db2.gz BJADAXISTPOYLT-HSZRJFAPSA-N 0 1 451.519 4.503 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009008823 519061880 /nfs/dbraw/zinc/06/18/80/519061880.db2.gz MFMFXHZSXYZIHU-VWLOTQADSA-N 0 1 470.525 4.824 50 30 JJEAMN C=CCn1c(C)cc(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000003350739 519169080 /nfs/dbraw/zinc/16/90/80/519169080.db2.gz OKPJIFVGQFESLW-UHFFFAOYSA-N 0 1 486.977 4.785 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009244193 519778506 /nfs/dbraw/zinc/77/85/06/519778506.db2.gz AMFRQXWVYOVOQD-QHCPKHFHSA-N 0 1 473.485 4.556 50 30 JJEAMN CCCCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009358647 520257846 /nfs/dbraw/zinc/25/78/46/520257846.db2.gz CYTZCLARTNWOLR-QFIPXVFZSA-N 0 1 466.490 4.937 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009066183 520327319 /nfs/dbraw/zinc/32/73/19/520327319.db2.gz UBQKXWBDNZZFKE-DEOSSOPVSA-N 0 1 450.579 4.739 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000016806144 520432625 /nfs/dbraw/zinc/43/26/25/520432625.db2.gz SHLDBJZXEPVDEM-VWLOTQADSA-N 0 1 488.540 4.666 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009292595 520466995 /nfs/dbraw/zinc/46/69/95/520466995.db2.gz XCFITRNXDWEDBL-HFJWLAOPSA-N 0 1 484.552 4.972 50 30 JJEAMN CCOc1c(I)cc(C=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000016688102 520608802 /nfs/dbraw/zinc/60/88/02/520608802.db2.gz RMDZPOHGZRPKAH-VXLYETTFSA-N 0 1 453.305 4.754 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000009185719 520782557 /nfs/dbraw/zinc/78/25/57/520782557.db2.gz JJXCEXHIAGQQQZ-FQEVSTJZSA-N 0 1 454.866 4.524 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000016733262 520877507 /nfs/dbraw/zinc/87/75/07/520877507.db2.gz MRKYCKALWBQDGW-IBGZPJMESA-N 0 1 494.769 4.726 50 30 JJEAMN CCCCC1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccc(OC)cc2)C1=O ZINC000009380010 521252970 /nfs/dbraw/zinc/25/29/70/521252970.db2.gz PTTVGUDRVWHQJS-FTTRISJGSA-N 0 1 455.580 4.737 50 30 JJEAMN CCCCc1ccc(CC2S/C(=N/N=C/c3ccc(OCCC)c(OC)c3)NC2=O)cc1 ZINC000011690593 521275326 /nfs/dbraw/zinc/27/53/26/521275326.db2.gz DQROAZPJEOKLBO-NWJFTTBMSA-N 0 1 453.608 4.991 50 30 JJEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009042939 521301081 /nfs/dbraw/zinc/30/10/81/521301081.db2.gz JSXMKQKTUJISDC-HXUWFJFHSA-N 0 1 491.481 4.979 50 30 JJEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009375192 521301384 /nfs/dbraw/zinc/30/13/84/521301384.db2.gz JYQWWPMWGVJCLJ-HXUWFJFHSA-N 0 1 491.481 4.979 50 30 JJEAMN CCOC(=O)[C@](NC(=O)c1cccc(F)c1)(Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000003103122 521348466 /nfs/dbraw/zinc/34/84/66/521348466.db2.gz XDRCSVWLKPJLLY-QGZVFWFLSA-N 0 1 452.326 4.508 50 30 JJEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000015837064 521424302 /nfs/dbraw/zinc/42/43/02/521424302.db2.gz BDAXWNHGIAPYRL-GKVSMKOHSA-N 0 1 470.525 4.582 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccs2)nc1C ZINC000009339448 521611612 /nfs/dbraw/zinc/61/16/12/521611612.db2.gz GSRVSSOCIHCPRH-KRWDZBQOSA-N 0 1 468.556 4.781 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009463391 522161791 /nfs/dbraw/zinc/16/17/91/522161791.db2.gz VYPADPPNPHZBAD-HFJWLAOPSA-N 0 1 497.547 4.618 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009312143 522162082 /nfs/dbraw/zinc/16/20/82/522162082.db2.gz JZVNTGDFVFPEML-CRICUBBOSA-N 0 1 483.520 4.575 50 30 JJEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009312141 522172688 /nfs/dbraw/zinc/17/26/88/522172688.db2.gz JZVNTGDFVFPEML-NSYGIPOTSA-N 0 1 483.520 4.575 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(F)c2)nc1C ZINC000016730508 522419898 /nfs/dbraw/zinc/41/98/98/522419898.db2.gz MEPDOWFEXXRAAA-SFHVURJKSA-N 0 1 484.480 4.608 50 30 JJEAMN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc([O-])c2C[N@@H+](C)Cc2ccccc2)C1=O ZINC000020611270 522816884 /nfs/dbraw/zinc/81/68/84/522816884.db2.gz RVQIPLKPEUBFFD-MXAYSNPKSA-N 0 1 461.514 4.666 50 30 biogenic JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000009272363 523280971 /nfs/dbraw/zinc/28/09/71/523280971.db2.gz VNDMCSKGDHUXFB-XMMPIXPASA-N 0 1 451.563 4.953 50 30 JJEAMN COc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S2)cc1OC ZINC000012124974 523442223 /nfs/dbraw/zinc/44/22/23/523442223.db2.gz RJTRDYPIJUYMHG-JCKPISHISA-N 0 1 471.888 4.540 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1F ZINC000016805196 523563460 /nfs/dbraw/zinc/56/34/60/523563460.db2.gz YCJBWHSZYJQQMF-NRFANRHFSA-N 0 1 497.320 4.770 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000009236498 523563561 /nfs/dbraw/zinc/56/35/61/523563561.db2.gz IOBUMLOOCQCMNP-QFIPXVFZSA-N 0 1 464.905 4.531 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(OC)c1 ZINC000009461004 523794600 /nfs/dbraw/zinc/79/46/00/523794600.db2.gz IBRVOCYREAVVMS-SANMLTNESA-N 0 1 487.552 4.807 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccccc3)cc2)c1 ZINC000009356898 524445172 /nfs/dbraw/zinc/44/51/72/524445172.db2.gz ODROJUFDGYNPHV-AREMUKBSSA-N 0 1 470.569 4.714 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000009311934 524975959 /nfs/dbraw/zinc/97/59/59/524975959.db2.gz ZYMDKEKLBJQZDW-SSOJOUAXSA-N 0 1 457.501 4.970 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009331807 524976564 /nfs/dbraw/zinc/97/65/64/524976564.db2.gz LOGURDIKTHQRQL-HXPMCKFVSA-N 0 1 452.919 4.903 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(C)cc2)no1 ZINC000009462841 525050350 /nfs/dbraw/zinc/05/03/50/525050350.db2.gz SORZMVGSXOUVRI-LJQANCHMSA-N 0 1 453.292 4.837 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000009425200 525518515 /nfs/dbraw/zinc/51/85/15/525518515.db2.gz UGTUNAMVVAXXPI-CRICUBBOSA-N 0 1 484.508 4.739 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009174798 525668700 /nfs/dbraw/zinc/66/87/00/525668700.db2.gz PEWHTHMPLCWWDI-FQEVSTJZSA-N 0 1 492.509 4.698 50 30 JJEAMN Cc1ccc(/N=C/c2cc(I)cc(I)c2O)cc1 ZINC000012368457 525967441 /nfs/dbraw/zinc/96/74/41/525967441.db2.gz PKSCFEYAAPXDKL-CAOOACKPSA-N 0 1 463.056 4.660 50 30 JJEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009302002 526252481 /nfs/dbraw/zinc/25/24/81/526252481.db2.gz ILXCJBARGDFOIC-IBGZPJMESA-N 0 1 461.455 4.889 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000009456069 526268882 /nfs/dbraw/zinc/26/88/82/526268882.db2.gz YRKVOKNNEFERFM-QHCPKHFHSA-N 0 1 461.901 4.890 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000009969645 526353997 /nfs/dbraw/zinc/35/39/97/526353997.db2.gz RQPVLPNOHHCHLZ-QFIPXVFZSA-N 0 1 484.537 4.603 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000009449452 526354344 /nfs/dbraw/zinc/35/43/44/526354344.db2.gz MSCSBPIMAHXJBR-WLRWDXFRSA-N 0 1 467.934 4.606 50 30 JJEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000009186767 526960633 /nfs/dbraw/zinc/96/06/33/526960633.db2.gz MQFBAEWAMKXFST-SFHVURJKSA-N 0 1 453.451 4.590 50 30 JJEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000009186766 526960747 /nfs/dbraw/zinc/96/07/47/526960747.db2.gz MQFBAEWAMKXFST-GOSISDBHSA-N 0 1 453.451 4.590 50 30 JJEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000102677370 534959330 /nfs/dbraw/zinc/95/93/30/534959330.db2.gz IKPBHCPOTILEIW-HEWWQJFPSA-N 0 1 492.528 4.743 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102521678 536570103 /nfs/dbraw/zinc/57/01/03/536570103.db2.gz TWBLCFYOTWTJPX-SELCWUDQSA-N 0 1 485.359 4.849 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000096451889 536658989 /nfs/dbraw/zinc/65/89/89/536658989.db2.gz KKCSUMQEYLDQNF-GSJDOASHSA-N 0 1 471.509 4.895 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000096451890 536659777 /nfs/dbraw/zinc/65/97/77/536659777.db2.gz KKCSUMQEYLDQNF-JGMOMGQESA-N 0 1 471.509 4.895 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102863629 537054533 /nfs/dbraw/zinc/05/45/33/537054533.db2.gz WJHDQOVWVZZYQZ-LFVOPCPISA-N 0 1 493.522 4.901 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000000702369 553761039 /nfs/dbraw/zinc/76/10/39/553761039.db2.gz UIUDSNLFWTWFOS-RUZDIDTESA-N 0 1 473.525 4.621 50 30 JJEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)nc1C ZINC000000702936 553761767 /nfs/dbraw/zinc/76/17/67/553761767.db2.gz ONILDDAGWAPUOG-HXUWFJFHSA-N 0 1 474.494 4.889 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000000703355 553762354 /nfs/dbraw/zinc/76/23/54/553762354.db2.gz KYKFXZNIDPOELB-HXUWFJFHSA-N 0 1 483.521 4.566 50 30 JJEAMN CCOC(=O)[C@H]1C(=O)CC(=Nc2sc3c(c2C#N)CCCC3)C[C@@H]1c1cccc(OC)c1 ZINC000001080033 553905185 /nfs/dbraw/zinc/90/51/85/553905185.db2.gz IYXTTZOYQDXORX-AUSIDOKSSA-N 0 1 450.560 4.739 50 30 JJEAMN CCOC(=O)[C@H]1C(=O)CC(=Nc2sc3c(c2C#N)CCCC3)C[C@H]1c1cccc(OC)c1 ZINC000001080035 553905226 /nfs/dbraw/zinc/90/52/26/553905226.db2.gz IYXTTZOYQDXORX-WMZHIEFXSA-N 0 1 450.560 4.739 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000001153049 553917525 /nfs/dbraw/zinc/91/75/25/553917525.db2.gz ZYYVYWGMQUQBJH-IBGZPJMESA-N 0 1 496.541 4.711 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2ccc(F)cc2)cc1 ZINC000001413309 553967615 /nfs/dbraw/zinc/96/76/15/553967615.db2.gz ALULPXBSFMVXPU-VWLOTQADSA-N 0 1 491.515 4.673 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001414752 553969080 /nfs/dbraw/zinc/96/90/80/553969080.db2.gz NMMGBFHRVSDJRO-RUZDIDTESA-N 0 1 486.499 4.842 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1OC ZINC000001451126 553973650 /nfs/dbraw/zinc/97/36/50/553973650.db2.gz KGFCJXOHXSUYIN-HXUWFJFHSA-N 0 1 499.317 4.546 50 30 JJEAMN N#Cc1ccc(Cn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000002313765 554144377 /nfs/dbraw/zinc/14/43/77/554144377.db2.gz XTSQDXSCLAMHCQ-UUYOSTAYSA-N 0 1 450.454 4.657 50 30 JJEAMN CCOc1ccc(COc2ccc(C=Nn3c(=S)[nH]nc3C(F)(F)F)cc2)cc1OCC ZINC000002792032 554347701 /nfs/dbraw/zinc/34/77/01/554347701.db2.gz SWJARKDLJQLQGN-BRJLIKDPSA-N 0 1 466.485 4.844 50 30 JJEAMN C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1O ZINC000002980922 554417448 /nfs/dbraw/zinc/41/74/48/554417448.db2.gz MOANIIHPXWYOQI-CPNJWEJPSA-N 0 1 452.532 4.590 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000006196219 554518632 /nfs/dbraw/zinc/51/86/32/554518632.db2.gz OYKIQUXBEGEYHU-NRFANRHFSA-N 0 1 477.542 4.593 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000006406689 554533523 /nfs/dbraw/zinc/53/35/23/554533523.db2.gz UAHDZDAWDJHHNZ-AZUAARDMSA-N 0 1 456.336 4.515 50 30 JJEAMN COc1c(Cl)cc(Cl)cc1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCCCC2)n1 ZINC000008434756 554586930 /nfs/dbraw/zinc/58/69/30/554586930.db2.gz RDLGYCJUBRNWEH-ZVHZXABRSA-N 0 1 464.401 4.614 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000008739568 554641195 /nfs/dbraw/zinc/64/11/95/554641195.db2.gz OAPSFPJBWIOTIS-IBGZPJMESA-N 0 1 453.495 4.556 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2F)s1 ZINC000008741081 554643575 /nfs/dbraw/zinc/64/35/75/554643575.db2.gz XLXZTDPHYBQFNK-IBGZPJMESA-N 0 1 453.495 4.556 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000008743034 554645616 /nfs/dbraw/zinc/64/56/16/554645616.db2.gz JHGZJGAMIMPMTG-QHCPKHFHSA-N 0 1 478.501 4.570 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008744032 554647016 /nfs/dbraw/zinc/64/70/16/554647016.db2.gz SFMOBJGIWNYDQR-XMMPIXPASA-N 0 1 459.546 4.647 50 30 JJEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000008817567 554700367 /nfs/dbraw/zinc/70/03/67/554700367.db2.gz OBQJVMGOPOEKFJ-LJQANCHMSA-N 0 1 450.447 4.820 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008817803 554700856 /nfs/dbraw/zinc/70/08/56/554700856.db2.gz FWSRHDZKYBIHBL-JOCHJYFZSA-N 0 1 459.458 4.560 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000008818421 554702407 /nfs/dbraw/zinc/70/24/07/554702407.db2.gz VXAHOPDYLUGBBC-QFIPXVFZSA-N 0 1 493.903 4.820 50 30 JJEAMN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008837125 554737546 /nfs/dbraw/zinc/73/75/46/554737546.db2.gz SNHGLXVKNIJBFI-QHCPKHFHSA-N 0 1 479.964 4.992 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008894829 554784217 /nfs/dbraw/zinc/78/42/17/554784217.db2.gz VHZLLPANYXDCGU-HSZRJFAPSA-N 0 1 462.502 4.952 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008996773 554857853 /nfs/dbraw/zinc/85/78/53/554857853.db2.gz XQKXUGDAHBGKFN-NXLSWJSLSA-N 0 1 450.579 4.581 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000009243923 555019298 /nfs/dbraw/zinc/01/92/98/555019298.db2.gz PBOVAJABGWDCAP-JOCHJYFZSA-N 0 1 460.442 4.529 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2F)nc1C ZINC000013550549 555491586 /nfs/dbraw/zinc/49/15/86/555491586.db2.gz RSPJGNCXBATZDH-MRXNPFEDSA-N 0 1 472.519 4.612 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000013570888 555509196 /nfs/dbraw/zinc/50/91/96/555509196.db2.gz JLTAFOVDUNHBRZ-HSZRJFAPSA-N 0 1 455.526 4.784 50 30 JJEAMN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O ZINC000019955440 555570587 /nfs/dbraw/zinc/57/05/87/555570587.db2.gz SPWCTWTYWHZQPI-FPTDNZKUSA-N 0 1 498.557 4.684 50 30 JJEAMN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc([O-])c2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000013680686 555573236 /nfs/dbraw/zinc/57/32/36/555573236.db2.gz IRLHZHXSGBQTOF-BHJNQLFSSA-N 0 1 453.535 4.512 50 30 biogenic JJEAMN CCCCC1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000013750231 555608832 /nfs/dbraw/zinc/60/88/32/555608832.db2.gz YXPKRHPWUNOSFX-FTTRISJGSA-N 0 1 455.580 4.737 50 30 JJEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020057912 555621440 /nfs/dbraw/zinc/62/14/40/555621440.db2.gz ZQUGNTRKVCCPSQ-HSZRJFAPSA-N 0 1 483.008 4.548 50 30 JJEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020057911 555621619 /nfs/dbraw/zinc/62/16/19/555621619.db2.gz ZQUGNTRKVCCPSQ-QHCPKHFHSA-N 0 1 483.008 4.548 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000024081459 556120656 /nfs/dbraw/zinc/12/06/56/556120656.db2.gz DNPFRQNGCGZUBR-RUZDIDTESA-N 0 1 462.590 4.823 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(F)cc1 ZINC000016713790 556154583 /nfs/dbraw/zinc/15/45/83/556154583.db2.gz JZYSUGNNTITTEN-HSZRJFAPSA-N 0 1 455.526 4.784 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000018128604 556291931 /nfs/dbraw/zinc/29/19/31/556291931.db2.gz LSNFIRITVLJICT-LJQANCHMSA-N 0 1 453.267 4.766 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000027988018 556311396 /nfs/dbraw/zinc/31/13/96/556311396.db2.gz JBHUQRQPJNFCRG-RUZDIDTESA-N 0 1 497.588 4.662 50 30 JJEAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)n2)cc1 ZINC000013128615 556348351 /nfs/dbraw/zinc/34/83/51/556348351.db2.gz LMWXBCKWOLDNIR-UHFFFAOYSA-N 0 1 472.574 4.549 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000008441459 569590441 /nfs/dbraw/zinc/59/04/41/569590441.db2.gz SGCUAWMMHUEDKY-WVBBGBOVSA-N 0 1 477.557 4.556 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000096793157 569743034 /nfs/dbraw/zinc/74/30/34/569743034.db2.gz JXOKECBCHXSVEU-QHCPKHFHSA-N 0 1 495.963 4.612 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097966996 569748022 /nfs/dbraw/zinc/74/80/22/569748022.db2.gz LDCVCJUYQHQLMI-VWLOTQADSA-N 0 1 487.556 4.515 50 30 JJEAMN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036316534 569763208 /nfs/dbraw/zinc/76/32/08/569763208.db2.gz XKHGZIVDRYQHMJ-DEOSSOPVSA-N 0 1 477.580 4.589 50 30 JJEAMN C=CCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2F)CC1 ZINC000036340395 569763791 /nfs/dbraw/zinc/76/37/91/569763791.db2.gz AIXRJYWTRSYRBU-DEOSSOPVSA-N 0 1 460.597 4.631 50 30 JJEAMN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345953 569768655 /nfs/dbraw/zinc/76/86/55/569768655.db2.gz MUHHFBDLEYDZHH-VWLOTQADSA-N 0 1 459.590 4.504 50 30 JJEAMN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345954 569768665 /nfs/dbraw/zinc/76/86/65/569768665.db2.gz MUHHFBDLEYDZHH-RUZDIDTESA-N 0 1 459.590 4.504 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346305 569769570 /nfs/dbraw/zinc/76/95/70/569769570.db2.gz AKGLHTRWOOHZDM-QHCPKHFHSA-N 0 1 453.558 4.886 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346436 569769688 /nfs/dbraw/zinc/76/96/88/569769688.db2.gz RKYSJYRUHKWTOL-XMMPIXPASA-N 0 1 465.569 4.888 50 30 JJEAMN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346519 569769899 /nfs/dbraw/zinc/76/98/99/569769899.db2.gz CWQZZGFWIOBREI-DEOSSOPVSA-N 0 1 461.606 4.757 50 30 JJEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 ZINC000101069986 569781053 /nfs/dbraw/zinc/78/10/53/569781053.db2.gz ZDNZZTFOGKENAG-GHNGSUTGSA-N 0 1 455.333 4.528 50 30 JJEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Br)c1 ZINC000101101299 569782919 /nfs/dbraw/zinc/78/29/19/569782919.db2.gz ZZBDNECEBJEITQ-SELCWUDQSA-N 0 1 455.333 4.528 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000101293867 569789964 /nfs/dbraw/zinc/78/99/64/569789964.db2.gz CLCPTFNPEJJPLF-MRJHHRETSA-N 0 1 495.329 4.937 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000101313640 569792196 /nfs/dbraw/zinc/79/21/96/569792196.db2.gz DHCMYSOYSCKPFU-IIHDFJPDSA-N 0 1 471.509 4.790 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102623414 569814647 /nfs/dbraw/zinc/81/46/47/569814647.db2.gz WWOFNHNVSKQPRB-MOBKVPTQSA-N 0 1 491.887 4.833 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102864129 569825382 /nfs/dbraw/zinc/82/53/82/569825382.db2.gz QDJLQVGMFUXBLB-GROYHEBESA-N 0 1 455.333 4.840 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)s1 ZINC000102929667 569827821 /nfs/dbraw/zinc/82/78/21/569827821.db2.gz JESMBRDUQTVVLA-IBOXJLQUSA-N 0 1 490.766 4.889 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102930317 569827992 /nfs/dbraw/zinc/82/79/92/569827992.db2.gz SRIOKXBTYSHAEI-GROYHEBESA-N 0 1 471.332 4.541 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102931740 569828626 /nfs/dbraw/zinc/82/86/26/569828626.db2.gz XQBVSTCDVOBHKA-WOOAAIBNSA-N 0 1 450.447 4.663 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000105002954 569849141 /nfs/dbraw/zinc/84/91/41/569849141.db2.gz RMTVATQYHGUXJV-NOZRDPDXSA-N 0 1 495.595 4.563 50 30 JJEAMN COc1cc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(Br)c1O ZINC000239174159 570049229 /nfs/dbraw/zinc/04/92/29/570049229.db2.gz PJYYDZLAGOZOGP-UHFFFAOYSA-N 0 1 478.390 4.885 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@H]3c3cccc4ccccc43)ccc2O1 ZINC000245241700 570058534 /nfs/dbraw/zinc/05/85/34/570058534.db2.gz NCAFNGXNIJVUQO-GZAUMTHMSA-N 0 1 469.537 4.921 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000245241876 570058640 /nfs/dbraw/zinc/05/86/40/570058640.db2.gz SGCUAWMMHUEDKY-CFRFINDLSA-N 0 1 477.557 4.556 50 30 JJEAMN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000004003430 194368659 /nfs/dbraw/zinc/36/86/59/194368659.db2.gz ZKDYQJZLHCEXGX-HZVWYJMBSA-N 0 1 486.597 4.688 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000096321723 130064900 /nfs/dbraw/zinc/06/49/00/130064900.db2.gz XIJYOLZALSPMFY-NRFANRHFSA-N 0 1 486.355 4.867 50 30 JJEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000102377725 130124867 /nfs/dbraw/zinc/12/48/67/130124867.db2.gz RJDNMABUOIBSJK-SBXHHDGASA-N 0 1 487.512 4.707 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCOC)cc1OC ZINC000102434642 130130667 /nfs/dbraw/zinc/13/06/67/130130667.db2.gz WXVMLHVBLOLNKN-NPJIAGGLSA-N 0 1 497.588 4.505 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102491337 130145430 /nfs/dbraw/zinc/14/54/30/130145430.db2.gz MJMGWGQQRRHUSB-NXLSWJSLSA-N 0 1 458.514 4.501 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102507378 130161791 /nfs/dbraw/zinc/16/17/91/130161791.db2.gz ZPGISTMXJNRMKA-ZHHPLPSFSA-N 0 1 451.563 4.759 50 30 JJEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000102512931 130166197 /nfs/dbraw/zinc/16/61/97/130166197.db2.gz IVSQCNDTPMWTQE-SBXHHDGASA-N 0 1 459.546 4.527 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102514377 130167611 /nfs/dbraw/zinc/16/76/11/130167611.db2.gz HRBHLIJLIAYKEB-JLPDLQRYSA-N 0 1 499.563 4.657 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000102514536 130168255 /nfs/dbraw/zinc/16/82/55/130168255.db2.gz XZBDBZHRPCMKAI-AYWGPLOBSA-N 0 1 479.964 4.756 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102528671 130181454 /nfs/dbraw/zinc/18/14/54/130181454.db2.gz ODJUTICZXYCOTC-YDJIHCHBSA-N 0 1 480.473 4.672 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102534222 130188514 /nfs/dbraw/zinc/18/85/14/130188514.db2.gz YQORIEVFHQYPCS-HOGKFDNTSA-N 0 1 493.903 4.664 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102551916 130204014 /nfs/dbraw/zinc/20/40/14/130204014.db2.gz YQNDXVLMXAGQEQ-CJJGVWJISA-N 0 1 485.536 4.869 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102578979 130215865 /nfs/dbraw/zinc/21/58/65/130215865.db2.gz WWYCQIHGVSPWJE-QJGVGSKSSA-N 0 1 497.370 4.855 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102663321 130234808 /nfs/dbraw/zinc/23/48/08/130234808.db2.gz IVGDWVSRCNBLLD-LNMXKIQISA-N 0 1 497.370 4.855 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102694192 130240430 /nfs/dbraw/zinc/24/04/30/130240430.db2.gz ONNDXQHAAUMBRA-GHNGSUTGSA-N 0 1 498.944 4.526 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102705583 130251221 /nfs/dbraw/zinc/25/12/21/130251221.db2.gz LIUBHCCTTHWJQF-IUKMQXEJSA-N 0 1 481.589 4.887 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102721354 130266948 /nfs/dbraw/zinc/26/69/48/130266948.db2.gz QKAUAHQLBZVHCQ-GHNGSUTGSA-N 0 1 498.944 4.526 50 30 JJEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000102722567 130267885 /nfs/dbraw/zinc/26/78/85/130267885.db2.gz UOWONNOGKCGEHK-CJJGVWJISA-N 0 1 488.559 4.696 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102735242 130279830 /nfs/dbraw/zinc/27/98/30/130279830.db2.gz NRMQHOGQBHVZPJ-SOIUSXPSSA-N 0 1 470.481 4.540 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102735246 130279837 /nfs/dbraw/zinc/27/98/37/130279837.db2.gz NRMQHOGQBHVZPJ-CIKQMSCWSA-N 0 1 470.481 4.540 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102803553 130311205 /nfs/dbraw/zinc/31/12/05/130311205.db2.gz NTTRVMYARXULDQ-LFVOPCPISA-N 0 1 470.312 4.808 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102805529 130313125 /nfs/dbraw/zinc/31/31/25/130313125.db2.gz GGMNCJLOKPFUKW-GROYHEBESA-N 0 1 455.333 4.840 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102806078 130313147 /nfs/dbraw/zinc/31/31/47/130313147.db2.gz IRMUPKQSZHRSNY-IUKMQXEJSA-N 0 1 488.540 4.510 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102858317 130328978 /nfs/dbraw/zinc/32/89/78/130328978.db2.gz GJHIRXUDCFNTJV-WOOAAIBNSA-N 0 1 480.542 4.971 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102865141 130337723 /nfs/dbraw/zinc/33/77/23/130337723.db2.gz FTRHNMKFCGJNPA-LFVOPCPISA-N 0 1 496.541 4.555 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2ccccc2)nc1C ZINC000102880553 130356308 /nfs/dbraw/zinc/35/63/08/130356308.db2.gz PGOXZNROZVQXJX-NHFXJNLRSA-N 0 1 492.553 4.653 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102880896 130357448 /nfs/dbraw/zinc/35/74/48/130357448.db2.gz XZUKYIVGCVHXLV-HOGKFDNTSA-N 0 1 493.903 4.664 50 30 JJEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102882798 130361948 /nfs/dbraw/zinc/36/19/48/130361948.db2.gz SSQMDHCJKLABEX-RPUIFAKWSA-N 0 1 459.498 4.624 50 30 JJEAMN COc1ccccc1NS(=O)(=O)c1cc(NC(C)=CC(=O)C(F)(F)F)ccc1N1CCCCC1 ZINC000102892698 130374749 /nfs/dbraw/zinc/37/47/49/130374749.db2.gz KOGXKVBJUGBZSK-JQIJEIRASA-N 0 1 497.539 4.933 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102896605 130378742 /nfs/dbraw/zinc/37/87/42/130378742.db2.gz WZCFADFLHRZCFW-SBXHHDGASA-N 0 1 475.928 4.776 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)nc1C ZINC000006144022 518978471 /nfs/dbraw/zinc/97/84/71/518978471.db2.gz LAFMBFRRYHAGSV-IBGZPJMESA-N 0 1 478.501 4.716 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)nc1C ZINC000006144036 518979283 /nfs/dbraw/zinc/97/92/83/518979283.db2.gz VTUSKBZXCYTRSY-IBGZPJMESA-N 0 1 478.501 4.716 50 30 JJEAMN C=CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1 ZINC000036305103 518991853 /nfs/dbraw/zinc/99/18/53/518991853.db2.gz JZZRYANIYMCMKE-JOCHJYFZSA-N 0 1 486.012 4.545 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009008456 519011867 /nfs/dbraw/zinc/01/18/67/519011867.db2.gz MANNAECTAHJGGY-MRJHHRETSA-N 0 1 475.372 4.542 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994541 519021887 /nfs/dbraw/zinc/02/18/87/519021887.db2.gz PIQRTWSOODHLLC-SANMLTNESA-N 0 1 483.568 4.799 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016731903 519023089 /nfs/dbraw/zinc/02/30/89/519023089.db2.gz AMFKKXLUBBEAAL-RBBKRZOGSA-N 0 1 453.922 4.662 50 30 JJEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000016741788 519048300 /nfs/dbraw/zinc/04/83/00/519048300.db2.gz WPSDHXZJBOIPMX-GBXCKJPGSA-N 0 1 477.557 4.513 50 30 JJEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009312448 519048828 /nfs/dbraw/zinc/04/88/28/519048828.db2.gz KOIDLYFJLCPIQP-RUZDIDTESA-N 0 1 484.552 4.929 50 30 JJEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000016741787 519049956 /nfs/dbraw/zinc/04/99/56/519049956.db2.gz WPSDHXZJBOIPMX-RDPSFJRHSA-N 0 1 477.557 4.513 50 30 JJEAMN C=CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000011914977 519059160 /nfs/dbraw/zinc/05/91/60/519059160.db2.gz QIOOAHHLUGCDBK-AREMUKBSSA-N 0 1 452.514 4.796 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009413048 519060823 /nfs/dbraw/zinc/06/08/23/519060823.db2.gz CGJVIUKPOVSPJA-HFJWLAOPSA-N 0 1 482.536 4.748 50 30 JJEAMN C=CCn1c(SC[C@@H]2CN[C@H](c3ccc(N(C)C)cc3)O2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000035526409 519235810 /nfs/dbraw/zinc/23/58/10/519235810.db2.gz RSFRTQUHYVTLJF-NVVBAYIOSA-N 0 1 496.702 4.614 50 30 JJEAMN CC(C)CNC(=O)CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021722603 519733209 /nfs/dbraw/zinc/73/32/09/519733209.db2.gz XPUSKCODFKIIDU-VWLOTQADSA-N 0 1 451.592 4.807 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009244194 519778523 /nfs/dbraw/zinc/77/85/23/519778523.db2.gz AMFRQXWVYOVOQD-HSZRJFAPSA-N 0 1 473.485 4.556 50 30 JJEAMN CCCCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(OC)c3)S2)cc1OC ZINC000012042396 520103061 /nfs/dbraw/zinc/10/30/61/520103061.db2.gz KZPHPPSZAUNLQZ-OINMWHHXSA-N 0 1 469.607 4.827 50 30 JJEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c1 ZINC000009458822 520257595 /nfs/dbraw/zinc/25/75/95/520257595.db2.gz LBZBTJRNMDNGCU-RUZDIDTESA-N 0 1 495.572 4.642 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009160401 520331503 /nfs/dbraw/zinc/33/15/03/520331503.db2.gz SDJYAXXVVASPJS-RUZDIDTESA-N 0 1 488.540 4.666 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000009411199 520332136 /nfs/dbraw/zinc/33/21/36/520332136.db2.gz ZNXUMLSZDWNUDF-DEOSSOPVSA-N 0 1 488.540 4.666 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009045044 520421553 /nfs/dbraw/zinc/42/15/53/520421553.db2.gz YYSFEMSJVJOOEC-LJQANCHMSA-N 0 1 496.541 4.711 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009424983 520466821 /nfs/dbraw/zinc/46/68/21/520466821.db2.gz GFFMRZOELPOCND-WXTAPIANSA-N 0 1 484.552 4.972 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009273442 520467750 /nfs/dbraw/zinc/46/77/50/520467750.db2.gz HYAGZLUQSRGZFQ-XMMPIXPASA-N 0 1 458.514 4.658 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000009019950 520859912 /nfs/dbraw/zinc/85/99/12/520859912.db2.gz VPMSNTOWAIOQIU-RUZDIDTESA-N 0 1 497.588 4.893 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000009472406 521236145 /nfs/dbraw/zinc/23/61/45/521236145.db2.gz UTHGVGKNBCKVNS-HSZRJFAPSA-N 0 1 465.477 4.913 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009424003 521267518 /nfs/dbraw/zinc/26/75/18/521267518.db2.gz PWIIEZYBDHOZMV-SANMLTNESA-N 0 1 485.536 4.678 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000009313049 522917968 /nfs/dbraw/zinc/91/79/68/522917968.db2.gz NLMXJSSXCHRBKO-MRDQGFSESA-N 0 1 485.536 4.545 50 30 biogenic JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000009379939 523283552 /nfs/dbraw/zinc/28/35/52/523283552.db2.gz FWRDIDSYQFGLTK-SANMLTNESA-N 0 1 487.552 4.894 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000009122839 523373785 /nfs/dbraw/zinc/37/37/85/523373785.db2.gz HHKDCGVSUQFAQS-MOBKVPTQSA-N 0 1 470.997 4.629 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000009233615 523562611 /nfs/dbraw/zinc/56/26/11/523562611.db2.gz ICACSRYACSATJD-QFIPXVFZSA-N 0 1 493.357 4.940 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000016737072 523565584 /nfs/dbraw/zinc/56/55/84/523565584.db2.gz AACYEBPGWFYKGP-NRFANRHFSA-N 0 1 453.878 4.729 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009370655 523573517 /nfs/dbraw/zinc/57/35/17/523573517.db2.gz AHZLMEOTGUNMRO-SFHVURJKSA-N 0 1 456.285 4.575 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000009312643 523794539 /nfs/dbraw/zinc/79/45/39/523794539.db2.gz KADOFUSYCBKCEM-AVRWGWEMSA-N 0 1 479.573 4.660 50 30 JJEAMN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000012523949 524035030 /nfs/dbraw/zinc/03/50/30/524035030.db2.gz OKOHSJXBFMWTTM-JLPGSUDCSA-N 0 1 477.542 4.890 50 30 JJEAMN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009424971 524052488 /nfs/dbraw/zinc/05/24/88/524052488.db2.gz XWLCWHNNSOXNKX-VWLOTQADSA-N 0 1 455.510 4.799 50 30 JJEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(C)cc3)oc21 ZINC000008899025 524256704 /nfs/dbraw/zinc/25/67/04/524256704.db2.gz MGVPZJBKWVGBFZ-QHCPKHFHSA-N 0 1 454.482 4.923 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009070616 524890235 /nfs/dbraw/zinc/89/02/35/524890235.db2.gz PZFHIZFTYWAJNE-OAQYLSRUSA-N 0 1 476.510 4.998 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009356559 524891660 /nfs/dbraw/zinc/89/16/60/524891660.db2.gz MUIFVJZPVRNXJT-RUZDIDTESA-N 0 1 488.540 4.665 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000009312269 524976718 /nfs/dbraw/zinc/97/67/18/524976718.db2.gz XZQOCXBBFZTTTE-FYSMJZIKSA-N 0 1 470.481 4.697 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000009313069 524977097 /nfs/dbraw/zinc/97/70/97/524977097.db2.gz XZQOCXBBFZTTTE-UPCLLVRISA-N 0 1 470.481 4.697 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000009292808 525048994 /nfs/dbraw/zinc/04/89/94/525048994.db2.gz VFPILFNFYRFRGK-QHCPKHFHSA-N 0 1 456.454 4.938 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000009310158 525222555 /nfs/dbraw/zinc/22/25/55/525222555.db2.gz JLAYZJXGRXKAKN-JOCHJYFZSA-N 0 1 464.905 4.531 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000009360130 525386984 /nfs/dbraw/zinc/38/69/84/525386984.db2.gz RWJSGFWWQLPBDC-NRFANRHFSA-N 0 1 453.878 4.729 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009403373 525389508 /nfs/dbraw/zinc/38/95/08/525389508.db2.gz UBXJAXKGFXRWLQ-NSYGIPOTSA-N 0 1 455.510 4.797 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009470807 525516984 /nfs/dbraw/zinc/51/69/84/525516984.db2.gz VICSGAPIDZGUFU-XHCCPWGMSA-N 0 1 482.580 4.897 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009359766 525517266 /nfs/dbraw/zinc/51/72/66/525517266.db2.gz XSTVRGWUVNVOOX-CMJOXMDJSA-N 0 1 460.917 4.837 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000009374501 525517531 /nfs/dbraw/zinc/51/75/31/525517531.db2.gz HKLXYZIPVZNAGZ-VOIUYBSRSA-N 0 1 470.481 4.697 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000009425202 525518218 /nfs/dbraw/zinc/51/82/18/525518218.db2.gz UGTUNAMVVAXXPI-NSYGIPOTSA-N 0 1 484.508 4.739 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3cccc4ccccc43)ccc2O1 ZINC000016749945 525519055 /nfs/dbraw/zinc/51/90/55/525519055.db2.gz NCAFNGXNIJVUQO-HIIGZGGBSA-N 0 1 469.537 4.921 50 30 JJEAMN COc1cccc(/C=C2\Oc3c(c(C)c(C[NH+]4CCCC4)c([O-])c3CN3CCCC3)C2=O)c1OC ZINC000011865251 525766531 /nfs/dbraw/zinc/76/65/31/525766531.db2.gz IWQOQDRXYBIVOA-HAHDFKILSA-N 0 1 478.589 4.526 50 30 JJEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000009065632 525783451 /nfs/dbraw/zinc/78/34/51/525783451.db2.gz HKSCNDYSFWTSLI-DEOSSOPVSA-N 0 1 473.573 4.858 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000009185695 525786106 /nfs/dbraw/zinc/78/61/06/525786106.db2.gz POCZDQDCZVLNRQ-LJQANCHMSA-N 0 1 469.291 4.537 50 30 JJEAMN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NCCc2cnc[nH]2)cc1 ZINC000009356382 525793169 /nfs/dbraw/zinc/79/31/69/525793169.db2.gz LNGBQWYZSHIVFW-MUUNZHRXSA-N 0 1 483.616 4.693 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000001177498 526024425 /nfs/dbraw/zinc/02/44/25/526024425.db2.gz HOOCBXCNVIXCBM-OAQYLSRUSA-N 0 1 463.331 4.931 50 30 JJEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009302001 526252354 /nfs/dbraw/zinc/25/23/54/526252354.db2.gz ILXCJBARGDFOIC-LJQANCHMSA-N 0 1 461.455 4.889 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000009449455 526353732 /nfs/dbraw/zinc/35/37/32/526353732.db2.gz MSCSBPIMAHXJBR-WYRIXSBYSA-N 0 1 467.934 4.606 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)s1 ZINC000009488456 526354568 /nfs/dbraw/zinc/35/45/68/526354568.db2.gz QZXWQDJUMKLMQD-NSPYISDASA-N 0 1 467.934 4.606 50 30 JJEAMN N#CC(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000003236403 526509087 /nfs/dbraw/zinc/50/90/87/526509087.db2.gz VAUFDFYZJFBPHE-MRXNPFEDSA-N 0 1 479.505 4.590 50 30 JJEAMN N#C[C@H](C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000003236403 526509091 /nfs/dbraw/zinc/50/90/91/526509091.db2.gz VAUFDFYZJFBPHE-MRXNPFEDSA-N 0 1 479.505 4.590 50 30 JJEAMN N#Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2 ZINC000006146944 526530040 /nfs/dbraw/zinc/53/00/40/526530040.db2.gz DDVGFEMUPREBMC-UHFFFAOYSA-N 0 1 457.964 4.815 50 30 JJEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000012322021 527607059 /nfs/dbraw/zinc/60/70/59/527607059.db2.gz CPRPTBMRHZWELH-HSZRJFAPSA-N 0 1 458.562 4.508 50 30 JJEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000102538863 535092800 /nfs/dbraw/zinc/09/28/00/535092800.db2.gz LYTWCECIBREQLS-CRJQIMHWSA-N 0 1 479.573 4.647 50 30 JJEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102401862 535373719 /nfs/dbraw/zinc/37/37/19/535373719.db2.gz GIIHBLISJMOPOA-NPJIAGGLSA-N 0 1 470.525 4.598 50 30 JJEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102705067 535829872 /nfs/dbraw/zinc/82/98/72/535829872.db2.gz LKWDXYLNLOIZKX-MRJHHRETSA-N 0 1 488.521 4.865 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102797450 536568407 /nfs/dbraw/zinc/56/84/07/536568407.db2.gz IIRVOBNAGRVXDB-GROYHEBESA-N 0 1 476.341 4.788 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102803823 536854235 /nfs/dbraw/zinc/85/42/35/536854235.db2.gz AQBKDABPQPTVNR-NPJIAGGLSA-N 0 1 473.525 4.864 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(OC)c1 ZINC000102715534 536854524 /nfs/dbraw/zinc/85/45/24/536854524.db2.gz IVHJBZXRTOFAGJ-CZNAVJSXSA-N 0 1 487.552 4.651 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C ZINC000000631427 553718281 /nfs/dbraw/zinc/71/82/81/553718281.db2.gz YIKRVWACIBSQSG-QGZVFWFLSA-N 0 1 486.908 4.814 50 30 JJEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000000856697 553800485 /nfs/dbraw/zinc/80/04/85/553800485.db2.gz RACDDYMILPUSBX-OAQYLSRUSA-N 0 1 480.362 4.623 50 30 JJEAMN CC(=O)Oc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001015762 553900156 /nfs/dbraw/zinc/90/01/56/553900156.db2.gz SSRHWHFZMMGASM-MCMRFMRISA-N 0 1 459.527 4.777 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(OCC)c2)cc1 ZINC000001019953 553900459 /nfs/dbraw/zinc/90/04/59/553900459.db2.gz OLMVDPLOBWJCDF-XMMPIXPASA-N 0 1 458.514 4.658 50 30 JJEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nc(C)c(C)s4)[C@H]3c3ccco3)oc21 ZINC000001052668 553901901 /nfs/dbraw/zinc/90/19/01/553901901.db2.gz WBZXYKBWZYFIBA-SFHVURJKSA-N 0 1 450.472 4.891 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000001145345 553915913 /nfs/dbraw/zinc/91/59/13/553915913.db2.gz CLWSTTHPIYMTTO-RUZDIDTESA-N 0 1 488.540 4.584 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccnc2)cc1 ZINC000001411059 553966937 /nfs/dbraw/zinc/96/69/37/553966937.db2.gz UMUBJONNXGCTOI-VWLOTQADSA-N 0 1 467.525 4.783 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccnc2)cc1 ZINC000001411060 553967188 /nfs/dbraw/zinc/96/71/88/553967188.db2.gz UMUBJONNXGCTOI-RUZDIDTESA-N 0 1 467.525 4.783 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2ccc(C)cc2)c1 ZINC000001413325 553967619 /nfs/dbraw/zinc/96/76/19/553967619.db2.gz ZISMDIQJNZDXCO-SANMLTNESA-N 0 1 487.552 4.842 50 30 JJEAMN COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N(CC(C)C)CC(C)C)cc1 ZINC000002306922 554142288 /nfs/dbraw/zinc/14/22/88/554142288.db2.gz OYJQZSKHNAXCPR-HSZRJFAPSA-N 0 1 473.621 4.723 50 30 JJEAMN C[C@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000002337356 554154681 /nfs/dbraw/zinc/15/46/81/554154681.db2.gz KCHJLGPZGNDIDD-GBXCKJPGSA-N 0 1 494.574 4.580 50 30 JJEAMN CCCCN1C(=O)[C@](c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000002417795 554196204 /nfs/dbraw/zinc/19/62/04/554196204.db2.gz GJDNYQMUKZLXAG-XMMPIXPASA-N 0 1 475.511 4.560 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000002480574 554225812 /nfs/dbraw/zinc/22/58/12/554225812.db2.gz OYOQIHGOVXZQQR-RUZDIDTESA-N 0 1 470.525 4.742 50 30 JJEAMN COc1ccccc1N(CCC#N)C(=O)CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000002625200 554249124 /nfs/dbraw/zinc/24/91/24/554249124.db2.gz WKOQPDJSOWRPDI-UHFFFAOYSA-N 0 1 462.362 4.826 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(CC)cc2)cc1C ZINC000008742454 554645087 /nfs/dbraw/zinc/64/50/87/554645087.db2.gz XPGPNOVVTMYLJC-XMMPIXPASA-N 0 1 451.563 4.961 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(CC)cc2)cc1C ZINC000008742453 554645171 /nfs/dbraw/zinc/64/51/71/554645171.db2.gz XPGPNOVVTMYLJC-DEOSSOPVSA-N 0 1 451.563 4.961 50 30 JJEAMN O=C(NC(Cn1cncn1)=NOCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl ZINC000008762746 554662620 /nfs/dbraw/zinc/66/26/20/554662620.db2.gz LLUPTNKLHDXBIZ-UHFFFAOYSA-N 0 1 453.717 4.590 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000008779274 554676114 /nfs/dbraw/zinc/67/61/14/554676114.db2.gz FODZHTQTKJBYNG-IBGZPJMESA-N 0 1 496.491 4.855 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccs1 ZINC000008818096 554701443 /nfs/dbraw/zinc/70/14/43/554701443.db2.gz CKQHKAKZUVKLLU-DEOSSOPVSA-N 0 1 476.598 4.775 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000008818293 554701987 /nfs/dbraw/zinc/70/19/87/554701987.db2.gz ATNVIIWTPJTMRM-FQEVSTJZSA-N 0 1 467.294 4.762 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008818333 554702167 /nfs/dbraw/zinc/70/21/67/554702167.db2.gz UWKUKMAZTBUSBK-QFIPXVFZSA-N 0 1 493.903 4.820 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008818334 554702175 /nfs/dbraw/zinc/70/21/75/554702175.db2.gz UWKUKMAZTBUSBK-JOCHJYFZSA-N 0 1 493.903 4.820 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000008857687 554754300 /nfs/dbraw/zinc/75/43/00/554754300.db2.gz DTOBWZAQNINARH-VWLOTQADSA-N 0 1 489.572 4.658 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000008857686 554754341 /nfs/dbraw/zinc/75/43/41/554754341.db2.gz DTOBWZAQNINARH-RUZDIDTESA-N 0 1 489.572 4.658 50 30 JJEAMN Clc1cccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCOCC4)n3)o2)c1 ZINC000008872336 554768579 /nfs/dbraw/zinc/76/85/79/554768579.db2.gz CFSWEKOVCAZFGH-WGOQTCKBSA-N 0 1 475.940 4.811 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008894832 554784205 /nfs/dbraw/zinc/78/42/05/554784205.db2.gz PRIJTLPRUBXILZ-OAQYLSRUSA-N 0 1 450.878 4.984 50 30 JJEAMN COc1ccc(CN(Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@@H]32)cc1OC ZINC000008918142 554814207 /nfs/dbraw/zinc/81/42/07/554814207.db2.gz OIAIVSIIVUZNCT-CKIDCGGYSA-N 0 1 495.616 4.826 50 30 biogenic JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2cccs2)nc1C ZINC000008984701 554848658 /nfs/dbraw/zinc/84/86/58/554848658.db2.gz JLNZYFYUTDNNJP-SFHVURJKSA-N 0 1 498.582 4.871 50 30 JJEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1cc(C)on1 ZINC000008996345 554856956 /nfs/dbraw/zinc/85/69/56/554856956.db2.gz UGIBYNHNYLUFAH-IBGZPJMESA-N 0 1 469.291 4.537 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000008996656 554857555 /nfs/dbraw/zinc/85/75/55/554857555.db2.gz JDUOIZYHEMJQQZ-SFHVURJKSA-N 0 1 498.944 4.683 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008997016 554858675 /nfs/dbraw/zinc/85/86/75/554858675.db2.gz ZUIZRKXSGWQGLB-HSZRJFAPSA-N 0 1 479.964 4.992 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000009123701 554914465 /nfs/dbraw/zinc/91/44/65/554914465.db2.gz VLPGLESQIKJAIB-LJQANCHMSA-N 0 1 480.517 4.859 50 30 JJEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000013282748 555370887 /nfs/dbraw/zinc/37/08/87/555370887.db2.gz OAWRCZBTFXBQPR-JOCHJYFZSA-N 0 1 493.947 4.635 50 30 JJEAMN C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(CN2CCN(c3ccc(C)cc3C)CC2)c1=O ZINC000019835651 555506807 /nfs/dbraw/zinc/50/68/07/555506807.db2.gz YUKWGVQEHZHBPB-UHFFFAOYSA-N 0 1 482.024 4.710 50 30 JJEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000013719215 555595430 /nfs/dbraw/zinc/59/54/30/555595430.db2.gz ZJMRZCOGUQNPKU-LJQANCHMSA-N 0 1 457.317 4.507 50 30 JJEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2nc(C)c(C)s2)[C@@H]1c1cccnc1 ZINC000013722140 555597777 /nfs/dbraw/zinc/59/77/77/555597777.db2.gz QMACMAMJTNLBJI-GOSISDBHSA-N 0 1 455.923 4.600 50 30 JJEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020064587 555624863 /nfs/dbraw/zinc/62/48/63/555624863.db2.gz KDLCONYZHWXLJI-DEOSSOPVSA-N 0 1 497.035 4.938 50 30 JJEAMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OS(=O)(=O)c1ccccc1 ZINC000013941895 555652728 /nfs/dbraw/zinc/65/27/28/555652728.db2.gz FGJQZRKKRYSPMH-HZHRSRAPSA-N 0 1 453.545 4.909 50 30 JJEAMN C=CCn1c(SC[C@@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000012566346 556064159 /nfs/dbraw/zinc/06/41/59/556064159.db2.gz RSFRTQUHYVTLJF-BVZALQNUSA-N 0 1 496.702 4.614 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024080848 556119538 /nfs/dbraw/zinc/11/95/38/556119538.db2.gz YGYGFPVHJVYVFX-XMMPIXPASA-N 0 1 464.606 4.831 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024080848 556119540 /nfs/dbraw/zinc/11/95/40/556119540.db2.gz YGYGFPVHJVYVFX-XMMPIXPASA-N 0 1 464.606 4.831 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024116135 556122375 /nfs/dbraw/zinc/12/23/75/556122375.db2.gz KZDIZAASPKMGHU-VWLOTQADSA-N 0 1 476.617 4.997 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000016713618 556154383 /nfs/dbraw/zinc/15/43/83/556154383.db2.gz WGWPPBRQLMDBRT-SANMLTNESA-N 0 1 487.552 4.889 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000016734470 556155590 /nfs/dbraw/zinc/15/55/90/556155590.db2.gz RZWDWGRXZXGZKC-XMMPIXPASA-N 0 1 465.546 4.655 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)nc1C ZINC000016944291 556182260 /nfs/dbraw/zinc/18/22/60/556182260.db2.gz FVOPKLRDHGJDOZ-SFHVURJKSA-N 0 1 466.490 4.550 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000017045252 556210721 /nfs/dbraw/zinc/21/07/21/556210721.db2.gz ZKMBHFUXQYIMCW-FQEVSTJZSA-N 0 1 464.345 4.925 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Br)c2)cc1F ZINC000026459027 556254490 /nfs/dbraw/zinc/25/44/90/556254490.db2.gz WGIAZHLAACMNBQ-FQEVSTJZSA-N 0 1 486.293 4.968 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000027527727 556289215 /nfs/dbraw/zinc/28/92/15/556289215.db2.gz VNKULUGHRDZLJG-SWHNKMGOSA-N 0 1 454.526 4.944 50 30 JJEAMN C[C@H](Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(Br)cc1 ZINC000028616617 556336865 /nfs/dbraw/zinc/33/68/65/556336865.db2.gz IQLKZTQJKFBJOW-NSHDSACASA-N 0 1 489.782 4.844 50 30 JJEAMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000032682252 556470372 /nfs/dbraw/zinc/47/03/72/556470372.db2.gz KPKFRMVLRNJDQJ-GOSISDBHSA-N 0 1 464.934 4.518 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1OC ZINC000008469058 562939541 /nfs/dbraw/zinc/93/95/41/562939541.db2.gz HCTMUFYOHODCEF-NRFANRHFSA-N 0 1 460.442 4.529 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCOC)cc1OCC ZINC000008384170 569589184 /nfs/dbraw/zinc/58/91/84/569589184.db2.gz KVDFHRHOOQIPIK-VWLOTQADSA-N 0 1 495.572 4.664 50 30 JJEAMN CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000055412878 569591993 /nfs/dbraw/zinc/59/19/93/569591993.db2.gz RDMAEJUYRCPCOW-HSZRJFAPSA-N 0 1 471.605 4.683 50 30 JJEAMN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CCOc2ccc(C)cc2)CC1 ZINC000057058970 569594280 /nfs/dbraw/zinc/59/42/80/569594280.db2.gz WPMPWPJDYCXJBF-UHFFFAOYSA-N 0 1 453.590 4.739 50 30 JJEAMN N#Cc1ccc(-c2ccc(OC(=O)C[S@@](=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000008763490 569602208 /nfs/dbraw/zinc/60/22/08/569602208.db2.gz MQGFBGAPVHHJSV-XIFFEERXSA-N 0 1 474.416 4.865 50 30 JJEAMN Cc1ccc(NC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)cc1C ZINC000061876595 569609220 /nfs/dbraw/zinc/60/92/20/569609220.db2.gz LPTWPXYGHQJICM-RUZDIDTESA-N 0 1 490.611 4.815 50 30 JJEAMN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2nc(-c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000035818076 569712550 /nfs/dbraw/zinc/71/25/50/569712550.db2.gz SUATZXSKSRPOQR-UHFFFAOYSA-N 0 1 485.359 4.812 50 30 JJEAMN C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096114824 569733800 /nfs/dbraw/zinc/73/38/00/569733800.db2.gz KLNTXPZBUGKKNI-KRWDZBQOSA-N 0 1 486.476 4.973 50 30 biogenic JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097969683 569748255 /nfs/dbraw/zinc/74/82/55/569748255.db2.gz VOVIVTABCNVSQX-QHCPKHFHSA-N 0 1 495.963 4.612 50 30 JJEAMN C=CCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340841 569763974 /nfs/dbraw/zinc/76/39/74/569763974.db2.gz RIDAXTWIYYYFTI-DEOSSOPVSA-N 0 1 474.624 4.885 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342126 569765553 /nfs/dbraw/zinc/76/55/53/569765553.db2.gz RFHOMKUYTLXYHD-DEOSSOPVSA-N 0 1 465.569 4.888 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346100 569769033 /nfs/dbraw/zinc/76/90/33/569769033.db2.gz GTBDRHQUFOBLJN-HSZRJFAPSA-N 0 1 465.569 4.888 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346306 569769531 /nfs/dbraw/zinc/76/95/31/569769531.db2.gz AKGLHTRWOOHZDM-HSZRJFAPSA-N 0 1 453.558 4.886 50 30 JJEAMN O=c1[nH]c(=O)n(-c2ccccc2)c(O)c1C=Nc1nc(-c2ccccc2)sc1-c1ccccc1 ZINC000100856082 569772560 /nfs/dbraw/zinc/77/25/60/569772560.db2.gz RMCHPEWUZIGISX-JVWAILMASA-N 0 1 466.522 4.773 50 30 JJEAMN O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000101070006 569781044 /nfs/dbraw/zinc/78/10/44/569781044.db2.gz VRHMKGUQVDMQPC-SADKCHQCSA-N 0 1 493.313 4.979 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101293953 569789895 /nfs/dbraw/zinc/78/98/95/569789895.db2.gz KVHUSIKXDNNIMX-AYWGPLOBSA-N 0 1 477.948 4.613 50 30 JJEAMN C[N@@H+]1CCc2c(C#N)c(/N=C/c3cc(Br)cc(Br)c3[O-])sc2C1 ZINC000102411702 569812873 /nfs/dbraw/zinc/81/28/73/569812873.db2.gz OAGWBPQHGLORGP-IFRROFPPSA-N 0 1 455.175 4.589 50 30 JJEAMN C[N@H+]1CCc2c(C#N)c(/N=C/c3cc(Br)cc(Br)c3[O-])sc2C1 ZINC000102411702 569812874 /nfs/dbraw/zinc/81/28/74/569812874.db2.gz OAGWBPQHGLORGP-IFRROFPPSA-N 0 1 455.175 4.589 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102864087 569825397 /nfs/dbraw/zinc/82/53/97/569825397.db2.gz KGHHTTBHMGAFEQ-NXLSWJSLSA-N 0 1 450.579 4.582 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000102928256 569827075 /nfs/dbraw/zinc/82/70/75/569827075.db2.gz DKMVSFRSRWIUGV-FYPOKDMHSA-N 0 1 479.573 4.503 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102933487 569829210 /nfs/dbraw/zinc/82/92/10/569829210.db2.gz IUSSQSBXCJASLP-MRJHHRETSA-N 0 1 492.509 4.541 50 30 JJEAMN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000102939178 569829413 /nfs/dbraw/zinc/82/94/13/569829413.db2.gz WEALQJFVLGAKMF-JLPGSUDCSA-N 0 1 477.542 4.890 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000104133276 569841818 /nfs/dbraw/zinc/84/18/18/569841818.db2.gz AILSCNGZGACCNH-JBCNATCCSA-N 0 1 464.861 4.883 50 30 JJEAMN CCCCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccc(OC)cc2)C1=O ZINC000051366997 569852355 /nfs/dbraw/zinc/85/23/55/569852355.db2.gz PTTVGUDRVWHQJS-MNWLEOAJSA-N 0 1 455.580 4.737 50 30 JJEAMN Cc1ccc(OCCN2CCN(c3cc(C(C)C)c(C#N)c4nc5ccccc5n43)CC2)cc1 ZINC000052634619 569852452 /nfs/dbraw/zinc/85/24/52/569852452.db2.gz KBAJQYKQMBUQFU-UHFFFAOYSA-N 0 1 453.590 4.992 50 30 JJEAMN O=C(C[C@@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000252642236 570090567 /nfs/dbraw/zinc/09/05/67/570090567.db2.gz ZKDYQJZLHCEXGX-DEOSSOPVSA-N 0 1 486.597 4.688 50 30 JJEAMN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=NOCC(=O)NCCc5cnc[nH]5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252679751 570094300 /nfs/dbraw/zinc/09/43/00/570094300.db2.gz QNQACIGXQHKRNE-RBZOMFCXSA-N 0 1 480.653 4.609 50 30 JJEAMN CCOC(=O)C1=NO[C@@]2(C(C)=NO)[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253531768 570103081 /nfs/dbraw/zinc/10/30/81/570103081.db2.gz NBGKJKDAKQLFLW-UNKYUNCFSA-N 0 1 486.609 4.645 50 30 JJEAMN N#CC(c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003289789 194266431 /nfs/dbraw/zinc/26/64/31/194266431.db2.gz QHUGUPZXWIHHOM-LJQANCHMSA-N 0 1 461.374 4.965 50 30 JJEAMN C=CCOc1ccccc1CN1CCC(Oc2cc(OC)ccc2C(=O)N2CCCC2)CC1 ZINC000012703341 195091917 /nfs/dbraw/zinc/09/19/17/195091917.db2.gz DOWRQQAPZWNWOZ-UHFFFAOYSA-N 0 1 450.579 4.539 50 30 JJEAMN CC(=O)N(c1nc(C=CC(=O)Nc2nc(-c3cccc(C)n3)n[nH]2)cs1)c1ccccc1F ZINC000058323651 195377559 /nfs/dbraw/zinc/37/75/59/195377559.db2.gz KPBYATMARUWKJX-ZHACJKMWSA-N 0 1 463.498 4.757 50 30 JJEAMN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000059415240 195399439 /nfs/dbraw/zinc/39/94/39/195399439.db2.gz QNAZEXBNVJKWBQ-PZLANSGSSA-N 0 1 479.448 4.641 50 30 biogenic JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000102433019 130130653 /nfs/dbraw/zinc/13/06/53/130130653.db2.gz SLAZTYNQOKKFSG-IUKMQXEJSA-N 0 1 497.588 4.592 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102482932 130136467 /nfs/dbraw/zinc/13/64/67/130136467.db2.gz MISGFCNWVLDVBY-JBCNATCCSA-N 0 1 494.500 4.980 50 30 JJEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)o2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102486021 130140323 /nfs/dbraw/zinc/14/03/23/130140323.db2.gz BGBFVLRXMYQOIG-YDJIHCHBSA-N 0 1 464.474 4.972 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1C ZINC000102493653 130148327 /nfs/dbraw/zinc/14/83/27/130148327.db2.gz DEODSEHRRXKVQI-NXLSWJSLSA-N 0 1 457.530 4.586 50 30 JJEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102496861 130151101 /nfs/dbraw/zinc/15/11/01/130151101.db2.gz QIUFHWOAEUGKSX-HOGKFDNTSA-N 0 1 466.490 4.698 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102506311 130160899 /nfs/dbraw/zinc/16/08/99/130160899.db2.gz PDBXOLHRRRQEJO-NHFXJNLRSA-N 0 1 494.500 4.980 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(C)cc2)no1 ZINC000102513633 130167369 /nfs/dbraw/zinc/16/73/69/130167369.db2.gz AOPISQIKKWYDPQ-WOOAAIBNSA-N 0 1 453.292 4.680 50 30 JJEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000102515382 130168654 /nfs/dbraw/zinc/16/86/54/130168654.db2.gz BHRLBKLQNPBARD-SELCWUDQSA-N 0 1 469.906 4.948 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102520595 130172969 /nfs/dbraw/zinc/17/29/69/130172969.db2.gz KTPRJOLRYDOCAS-AYWGPLOBSA-N 0 1 479.964 4.837 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102525846 130178419 /nfs/dbraw/zinc/17/84/19/130178419.db2.gz VILDULPFZJZFPV-JBCNATCCSA-N 0 1 487.493 4.839 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102538662 130193664 /nfs/dbraw/zinc/19/36/64/130193664.db2.gz XLHUAFIYJSCRJD-NPJIAGGLSA-N 0 1 473.525 4.946 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000102542798 130199119 /nfs/dbraw/zinc/19/91/19/130199119.db2.gz JCCRLMNCQNZYGM-SELCWUDQSA-N 0 1 464.743 4.561 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102563156 130210795 /nfs/dbraw/zinc/21/07/95/130210795.db2.gz WXDYJORKHMUADT-NPJIAGGLSA-N 0 1 488.540 4.510 50 30 JJEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)c1 ZINC000102624353 130226719 /nfs/dbraw/zinc/22/67/19/130226719.db2.gz ATZSHGPDCZUAIC-HOGKFDNTSA-N 0 1 492.553 4.720 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102645841 130229751 /nfs/dbraw/zinc/22/97/51/130229751.db2.gz HRBHLIJLIAYKEB-KXDYMIPJSA-N 0 1 499.563 4.657 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102690932 130238319 /nfs/dbraw/zinc/23/83/19/130238319.db2.gz RBQIFDYGMCWPEM-MRJHHRETSA-N 0 1 464.543 4.955 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000102691851 130239023 /nfs/dbraw/zinc/23/90/23/130239023.db2.gz YXRPVXFQJMGDMR-GHNGSUTGSA-N 0 1 498.582 4.715 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccnc3)cc2)c1 ZINC000102733398 130277510 /nfs/dbraw/zinc/27/75/10/130277510.db2.gz RXGFWSLVYOCYQC-UUALVTFQSA-N 0 1 491.547 4.986 50 30 JJEAMN CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102804667 130312401 /nfs/dbraw/zinc/31/24/01/130312401.db2.gz KPMMADOYNQAGBA-SELCWUDQSA-N 0 1 455.923 4.525 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102804667 130312406 /nfs/dbraw/zinc/31/24/06/130312406.db2.gz KPMMADOYNQAGBA-SELCWUDQSA-N 0 1 455.923 4.525 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102860875 130331889 /nfs/dbraw/zinc/33/18/89/130331889.db2.gz VPKWHWVYWBIRJD-NHFXJNLRSA-N 0 1 492.509 4.541 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102863632 130335271 /nfs/dbraw/zinc/33/52/71/130335271.db2.gz WJHDQOVWVZZYQZ-WOOAAIBNSA-N 0 1 493.522 4.901 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000102876358 130348118 /nfs/dbraw/zinc/34/81/18/130348118.db2.gz NUJFSZIOAZGBQK-AYWGPLOBSA-N 0 1 470.997 4.811 50 30 JJEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102881046 130357595 /nfs/dbraw/zinc/35/75/95/130357595.db2.gz WDRHUHINYYSURS-WOOAAIBNSA-N 0 1 461.455 4.732 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102883947 130364347 /nfs/dbraw/zinc/36/43/47/130364347.db2.gz ZQDZBSYYADTBAK-IUKMQXEJSA-N 0 1 488.540 4.597 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102888136 130369474 /nfs/dbraw/zinc/36/94/74/130369474.db2.gz DDXKXMSVFWBTRH-JBCNATCCSA-N 0 1 453.878 4.572 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000102897300 130379864 /nfs/dbraw/zinc/37/98/64/130379864.db2.gz SFYARAXZKOPRJG-MRJHHRETSA-N 0 1 453.878 4.572 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 ZINC000102925944 130397233 /nfs/dbraw/zinc/39/72/33/130397233.db2.gz HBPRESKSFZPJCL-ONQGDUAMSA-N 0 1 491.547 4.986 50 30 JJEAMN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)CC1CC1 ZINC000036303615 518304171 /nfs/dbraw/zinc/30/41/71/518304171.db2.gz BNSKYFHORAVCTF-QHCPKHFHSA-N 0 1 480.008 4.849 50 30 JJEAMN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036304937 518310300 /nfs/dbraw/zinc/31/03/00/518310300.db2.gz DAVCVTCWLMFZMP-RUZDIDTESA-N 0 1 459.590 4.504 50 30 JJEAMN C=CCC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036309386 518724254 /nfs/dbraw/zinc/72/42/54/518724254.db2.gz 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4.990 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009379886 519720636 /nfs/dbraw/zinc/72/06/36/519720636.db2.gz MDUHESIWWKDLIB-QFIPXVFZSA-N 0 1 491.887 4.990 50 30 JJEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000009292736 519839422 /nfs/dbraw/zinc/83/94/22/519839422.db2.gz ZLAQDVYDXXWNPA-RUZDIDTESA-N 0 1 470.525 4.755 50 30 JJEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020444188 520258381 /nfs/dbraw/zinc/25/83/81/520258381.db2.gz KFRJCXCZJYNPMZ-AFMDSPMNSA-N 0 1 492.616 4.719 50 30 JJEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009329055 520259146 /nfs/dbraw/zinc/25/91/46/520259146.db2.gz HYNKXEUWXFFNCU-HUPAGYGUSA-N 0 1 492.616 4.562 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009046481 520328675 /nfs/dbraw/zinc/32/86/75/520328675.db2.gz IJHWFEKHXAFZBR-DEOSSOPVSA-N 0 1 464.606 4.913 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccco2)cc1 ZINC000009460985 520330145 /nfs/dbraw/zinc/33/01/45/520330145.db2.gz LVDWKKWUDQYPBY-IBGZPJMESA-N 0 1 496.541 4.793 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000016733770 520421456 /nfs/dbraw/zinc/42/14/56/520421456.db2.gz FGSKNJXWZAMURZ-OAQYLSRUSA-N 0 1 488.378 4.853 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000009185717 520775244 /nfs/dbraw/zinc/77/52/44/520775244.db2.gz JJXCEXHIAGQQQZ-HXUWFJFHSA-N 0 1 454.866 4.524 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009354208 520783189 /nfs/dbraw/zinc/78/31/89/520783189.db2.gz MODTUWUZOMIRRN-QUGAMOGWSA-N 0 1 485.536 4.893 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009359602 520859618 /nfs/dbraw/zinc/85/96/18/520859618.db2.gz ZFCKYRVYFCOBDX-RUZDIDTESA-N 0 1 497.588 4.806 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000016805340 520862612 /nfs/dbraw/zinc/86/26/12/520862612.db2.gz DKOUKPOHVFHLPC-HXUWFJFHSA-N 0 1 465.531 4.514 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)cc2)cc1Cl ZINC000009308862 520876875 /nfs/dbraw/zinc/87/68/75/520876875.db2.gz QAQHDSSPSVAEMP-QHCPKHFHSA-N 0 1 495.963 4.612 50 30 JJEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000016736978 520897395 /nfs/dbraw/zinc/89/73/95/520897395.db2.gz YWPQELLXQXIULQ-IBGZPJMESA-N 0 1 496.541 4.793 50 30 JJEAMN CCOC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000003103251 521173851 /nfs/dbraw/zinc/17/38/51/521173851.db2.gz RYZWQFIBLCAFJI-KRWDZBQOSA-N 0 1 452.326 4.508 50 30 JJEAMN CCOc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000035565470 521182288 /nfs/dbraw/zinc/18/22/88/521182288.db2.gz IAWHPOREQOICED-QVEYQJPYSA-N 0 1 489.641 4.837 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000009472408 521265156 /nfs/dbraw/zinc/26/51/56/521265156.db2.gz UTHGVGKNBCKVNS-QHCPKHFHSA-N 0 1 465.477 4.913 50 30 JJEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000015837314 521414461 /nfs/dbraw/zinc/41/44/61/521414461.db2.gz QSWAQAJFVLQKCH-CRICUBBOSA-N 0 1 470.525 4.582 50 30 JJEAMN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)c(C)c2)C(=O)C(=O)N1Cc1cccnc1 ZINC000009380665 521579089 /nfs/dbraw/zinc/57/90/89/521579089.db2.gz GFEFFXAEOQGNMD-XMMPIXPASA-N 0 1 458.514 4.576 50 30 JJEAMN COc1c2c(cc(CCN(C)C(C)=O)c1CN=Nc1c(Cl)cc(Cl)cc1Cl)OCO2 ZINC000009345090 521885136 /nfs/dbraw/zinc/88/51/36/521885136.db2.gz QFTRCLNWPFABTR-PGGKNCGUSA-N 0 1 472.756 4.851 50 30 JJEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009186824 522172240 /nfs/dbraw/zinc/17/22/40/522172240.db2.gz MTHNDZPFLWIJIU-IBGZPJMESA-N 0 1 478.457 4.598 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000009334530 522422388 /nfs/dbraw/zinc/42/23/88/522422388.db2.gz XHTLOGDTYWYGQB-OAHLLOKOSA-N 0 1 474.947 4.736 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000009379682 523276691 /nfs/dbraw/zinc/27/66/91/523276691.db2.gz MKNALJJAPMIVDM-GOSISDBHSA-N 0 1 464.743 4.717 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009380656 523279413 /nfs/dbraw/zinc/27/94/13/523279413.db2.gz DFHCCLRAEWWAEP-QHCPKHFHSA-N 0 1 451.563 4.916 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009379794 523279487 /nfs/dbraw/zinc/27/94/87/523279487.db2.gz BLJPRCQBWFJMTB-LJQANCHMSA-N 0 1 450.318 4.617 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000009122837 523373367 /nfs/dbraw/zinc/37/33/67/523373367.db2.gz HHKDCGVSUQFAQS-HOGKFDNTSA-N 0 1 470.997 4.629 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000009462436 523554639 /nfs/dbraw/zinc/55/46/39/523554639.db2.gz GSBPDXLXVXUGFL-NRFANRHFSA-N 0 1 486.355 4.867 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000009462435 523558108 /nfs/dbraw/zinc/55/81/08/523558108.db2.gz GSBPDXLXVXUGFL-OAQYLSRUSA-N 0 1 486.355 4.867 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000009044477 523562018 /nfs/dbraw/zinc/56/20/18/523562018.db2.gz RDINUWIKLAQANK-JOCHJYFZSA-N 0 1 493.357 4.940 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000009271833 523563108 /nfs/dbraw/zinc/56/31/08/523563108.db2.gz KVOXYABNNIEJRH-QFIPXVFZSA-N 0 1 493.357 4.940 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000009271697 523563672 /nfs/dbraw/zinc/56/36/72/523563672.db2.gz SJHQRHRNXSYTCR-JOCHJYFZSA-N 0 1 493.357 4.940 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Br)cc2)cc1OC ZINC000016737352 523565569 /nfs/dbraw/zinc/56/55/69/523565569.db2.gz PFUVHGKZKBZTLR-OAQYLSRUSA-N 0 1 498.329 4.838 50 30 JJEAMN COc1ccc(C(=O)CSc2nc3n(n2)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000020850801 523592481 /nfs/dbraw/zinc/59/24/81/523592481.db2.gz DTHBWAPNFUGIRI-OAQYLSRUSA-N 0 1 480.615 4.981 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000009312642 523795023 /nfs/dbraw/zinc/79/50/23/523795023.db2.gz KADOFUSYCBKCEM-IQGLISFBSA-N 0 1 479.573 4.660 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000009313058 523795102 /nfs/dbraw/zinc/79/51/02/523795102.db2.gz NDNOCORJUIXTKJ-UZTOHYMASA-N 0 1 499.563 4.814 50 30 JJEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009424026 524034106 /nfs/dbraw/zinc/03/41/06/524034106.db2.gz XWLCWHNNSOXNKX-RUZDIDTESA-N 0 1 455.510 4.799 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009312988 524113000 /nfs/dbraw/zinc/11/30/00/524113000.db2.gz KXXAUTXXRHBAEC-HFJWLAOPSA-N 0 1 469.537 4.840 50 30 biogenic JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000009354291 524170659 /nfs/dbraw/zinc/17/06/59/524170659.db2.gz XTOBCWPYTYPXTI-NSYGIPOTSA-N 0 1 455.510 4.797 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009312985 524171160 /nfs/dbraw/zinc/17/11/60/524171160.db2.gz KXXAUTXXRHBAEC-DWXRJYCRSA-N 0 1 469.537 4.840 50 30 biogenic JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000009312738 524171396 /nfs/dbraw/zinc/17/13/96/524171396.db2.gz VCBAAEAQXCWAGE-IBGZPJMESA-N 0 1 469.291 4.537 50 30 JJEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cc(C)on4)[C@@H]3c3cccc(OC)c3OC)oc21 ZINC000001052697 524256263 /nfs/dbraw/zinc/25/62/63/524256263.db2.gz GZEFUKWGRZALEC-OAQYLSRUSA-N 0 1 490.468 4.538 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009370852 524385399 /nfs/dbraw/zinc/38/53/99/524385399.db2.gz MTCCUUIYGMWONI-QRKHRJNGSA-N 0 1 457.482 4.592 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009329613 524386248 /nfs/dbraw/zinc/38/62/48/524386248.db2.gz YVVDUFULXOLBLJ-JPPCNPEHSA-N 0 1 471.509 4.895 50 30 biogenic JJEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)C(=O)C(=O)N1Cc1cccnc1 ZINC000009242623 524803664 /nfs/dbraw/zinc/80/36/64/524803664.db2.gz CZBNNLXZOKGWAI-VWLOTQADSA-N 0 1 472.541 4.904 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009433833 524890270 /nfs/dbraw/zinc/89/02/70/524890270.db2.gz HPPOPUGJINYXGV-OAQYLSRUSA-N 0 1 453.878 4.729 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000009242413 525050220 /nfs/dbraw/zinc/05/02/20/525050220.db2.gz MOYMDLXDJIRFPM-LJQANCHMSA-N 0 1 453.292 4.837 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009312599 525220638 /nfs/dbraw/zinc/22/06/38/525220638.db2.gz NQIKOKWTCIABTQ-MRDQGFSESA-N 0 1 485.536 4.806 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009241219 525670044 /nfs/dbraw/zinc/67/00/44/525670044.db2.gz RVHVXMZNKPRQRA-IBGZPJMESA-N 0 1 477.454 4.589 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009046498 525671306 /nfs/dbraw/zinc/67/13/06/525671306.db2.gz ITYFDNCWPPRNAX-OAQYLSRUSA-N 0 1 487.493 4.996 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000009424326 526268886 /nfs/dbraw/zinc/26/88/86/526268886.db2.gz RYFPCOLEQKELTO-DEOSSOPVSA-N 0 1 475.928 4.932 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000009008866 526269135 /nfs/dbraw/zinc/26/91/35/526269135.db2.gz VPPGBGUDIBBOSD-LJQANCHMSA-N 0 1 498.264 4.674 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000016741262 526269525 /nfs/dbraw/zinc/26/95/25/526269525.db2.gz NHMAEXWCOXFUBN-NRFANRHFSA-N 0 1 496.313 4.592 50 30 JJEAMN N#CC(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000003236404 526492384 /nfs/dbraw/zinc/49/23/84/526492384.db2.gz VAUFDFYZJFBPHE-INIZCTEOSA-N 0 1 479.505 4.590 50 30 JJEAMN N#C[C@@H](C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000003236404 526492389 /nfs/dbraw/zinc/49/23/89/526492389.db2.gz VAUFDFYZJFBPHE-INIZCTEOSA-N 0 1 479.505 4.590 50 30 JJEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1 ZINC000008738008 526834374 /nfs/dbraw/zinc/83/43/74/526834374.db2.gz SITUWUXEWWTTPC-GOSISDBHSA-N 0 1 455.333 4.684 50 30 JJEAMN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000096279715 535208452 /nfs/dbraw/zinc/20/84/52/535208452.db2.gz ABEGTQXUQVCJAG-PEBXRYMYSA-N 0 1 498.557 4.685 50 30 JJEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102486545 535327040 /nfs/dbraw/zinc/32/70/40/535327040.db2.gz ASXDNCNCBHPMHY-AYWGPLOBSA-N 0 1 480.492 4.936 50 30 JJEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102698518 535830661 /nfs/dbraw/zinc/83/06/61/535830661.db2.gz BQOYJQXKEWDQCC-NHFXJNLRSA-N 0 1 475.482 4.986 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(O)c1 ZINC000102698077 536539222 /nfs/dbraw/zinc/53/92/22/536539222.db2.gz RQVQFRPKKZGAKM-CJJGVWJISA-N 0 1 487.552 4.738 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102506161 536564999 /nfs/dbraw/zinc/56/49/99/536564999.db2.gz UEKHLSYICLUMBV-JBCNATCCSA-N 0 1 486.355 4.711 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000000625750 553714133 /nfs/dbraw/zinc/71/41/33/553714133.db2.gz ULNFDEUIBFLFKB-IEBWSBKVSA-N 0 1 476.754 4.860 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000000631237 553717992 /nfs/dbraw/zinc/71/79/92/553717992.db2.gz CJNAPVLVRQQIDR-IBGZPJMESA-N 0 1 480.517 4.859 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000000631420 553718276 /nfs/dbraw/zinc/71/82/76/553718276.db2.gz YIKRVWACIBSQSG-KRWDZBQOSA-N 0 1 486.908 4.814 50 30 JJEAMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC ZINC000001104760 553908402 /nfs/dbraw/zinc/90/84/02/553908402.db2.gz IVEBDGXXLGCPOJ-DEOSSOPVSA-N 0 1 492.597 4.652 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)cc1Cl ZINC000001109441 553908708 /nfs/dbraw/zinc/90/87/08/553908708.db2.gz FHANJDVOMDGEES-NRFANRHFSA-N 0 1 452.869 4.661 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000001120808 553911178 /nfs/dbraw/zinc/91/11/78/553911178.db2.gz GPSYXOAQYPTXIZ-HXUWFJFHSA-N 0 1 468.303 4.829 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000001143277 553915928 /nfs/dbraw/zinc/91/59/28/553915928.db2.gz HPHDGBFKMKIMRF-VWLOTQADSA-N 0 1 488.540 4.584 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000001152504 553917395 /nfs/dbraw/zinc/91/73/95/553917395.db2.gz IMFRFXGEYOPGLK-INIZCTEOSA-N 0 1 459.296 4.828 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000001153050 553917568 /nfs/dbraw/zinc/91/75/68/553917568.db2.gz ZYYVYWGMQUQBJH-LJQANCHMSA-N 0 1 496.541 4.711 50 30 JJEAMN Cc1c2c(c(C)n1/N=C/c1cc(Br)cc(Br)c1O)c(C)nnc2C ZINC000001301487 553941219 /nfs/dbraw/zinc/94/12/19/553941219.db2.gz GVFZYBUXEZWNSJ-IFRROFPPSA-N 0 1 452.150 4.778 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001413310 553967611 /nfs/dbraw/zinc/96/76/11/553967611.db2.gz ALULPXBSFMVXPU-RUZDIDTESA-N 0 1 491.515 4.673 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1 ZINC000001413487 553967938 /nfs/dbraw/zinc/96/79/38/553967938.db2.gz SNZDLHGTCRUDDY-RUZDIDTESA-N 0 1 452.510 4.998 50 30 JJEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(O)c1 ZINC000001414762 553969165 /nfs/dbraw/zinc/96/91/65/553969165.db2.gz UJZSPXRVFBRAMT-XMMPIXPASA-N 0 1 456.473 4.834 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)c1 ZINC000001451148 553973578 /nfs/dbraw/zinc/97/35/78/553973578.db2.gz QTUHUHXIBKQTNN-LJQANCHMSA-N 0 1 469.291 4.537 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1C ZINC000002502080 554229608 /nfs/dbraw/zinc/22/96/08/554229608.db2.gz MBSSSWHHGBTKEN-DEOSSOPVSA-N 0 1 458.489 4.872 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000002502081 554229691 /nfs/dbraw/zinc/22/96/91/554229691.db2.gz MBSSSWHHGBTKEN-XMMPIXPASA-N 0 1 458.489 4.872 50 30 JJEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)Cl)cc1COc1ccc(Cl)cc1 ZINC000002791543 554347143 /nfs/dbraw/zinc/34/71/43/554347143.db2.gz DCWYXYJCIJQVDB-NUGSKGIGSA-N 0 1 459.305 4.978 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000006499088 554546872 /nfs/dbraw/zinc/54/68/72/554546872.db2.gz UJEXPFGMAGZJPQ-LJQANCHMSA-N 0 1 453.292 4.837 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000008739888 554641550 /nfs/dbraw/zinc/64/15/50/554641550.db2.gz CUIMNGJIUVAMDU-KRWDZBQOSA-N 0 1 486.908 4.814 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008743102 554646065 /nfs/dbraw/zinc/64/60/65/554646065.db2.gz NYSKQMFABUXHHR-IBGZPJMESA-N 0 1 470.312 4.965 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000008779311 554676580 /nfs/dbraw/zinc/67/65/80/554676580.db2.gz YLVCYHMOIPCFCM-GOSISDBHSA-N 0 1 498.582 4.871 50 30 JJEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000008818051 554701529 /nfs/dbraw/zinc/70/15/29/554701529.db2.gz LMNJJPLBWLLWGY-VWLOTQADSA-N 0 1 486.616 4.618 50 30 JJEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000008818052 554701543 /nfs/dbraw/zinc/70/15/43/554701543.db2.gz LMNJJPLBWLLWGY-RUZDIDTESA-N 0 1 486.616 4.618 50 30 JJEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)o1 ZINC000008818173 554701636 /nfs/dbraw/zinc/70/16/36/554701636.db2.gz CGZKECMHVJCQFQ-IBGZPJMESA-N 0 1 453.292 4.524 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008892630 554780950 /nfs/dbraw/zinc/78/09/50/554780950.db2.gz KOIVAFPSVKPMII-RUZDIDTESA-N 0 1 489.572 4.739 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008893723 554782631 /nfs/dbraw/zinc/78/26/31/554782631.db2.gz HXZUFYLFDHFYES-OAQYLSRUSA-N 0 1 450.878 4.984 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008894834 554784254 /nfs/dbraw/zinc/78/42/54/554784254.db2.gz PRIJTLPRUBXILZ-NRFANRHFSA-N 0 1 450.878 4.984 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)s1 ZINC000008901927 554795710 /nfs/dbraw/zinc/79/57/10/554795710.db2.gz SKEGOQNJNQZXSF-MRXNPFEDSA-N 0 1 474.311 4.531 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccs2)nc1C ZINC000008926813 554824022 /nfs/dbraw/zinc/82/40/22/554824022.db2.gz GDSNPDZDWSJHLR-MRXNPFEDSA-N 0 1 472.519 4.612 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008973222 554844612 /nfs/dbraw/zinc/84/46/12/554844612.db2.gz QNXYKNOWKPKHJX-NRFANRHFSA-N 0 1 487.493 4.996 50 30 JJEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1cc(C)on1 ZINC000008996344 554856927 /nfs/dbraw/zinc/85/69/27/554856927.db2.gz UGIBYNHNYLUFAH-LJQANCHMSA-N 0 1 469.291 4.537 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000008996545 554857146 /nfs/dbraw/zinc/85/71/46/554857146.db2.gz YCRUNARZKWFFBD-SANMLTNESA-N 0 1 488.559 4.853 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3OC)sc2c1 ZINC000009008360 554862521 /nfs/dbraw/zinc/86/25/21/554862521.db2.gz XLYJKVCPQAJGKE-HXUWFJFHSA-N 0 1 462.483 4.689 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009324684 555097226 /nfs/dbraw/zinc/09/72/26/555097226.db2.gz IRMDLKIQOQKZLI-JOCHJYFZSA-N 0 1 491.887 4.990 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1OC ZINC000009349636 555116815 /nfs/dbraw/zinc/11/68/15/555116815.db2.gz HCTMUFYOHODCEF-OAQYLSRUSA-N 0 1 460.442 4.529 50 30 JJEAMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c1C#N ZINC000009547332 555344075 /nfs/dbraw/zinc/34/40/75/555344075.db2.gz BCIZUJYHYPEBBQ-UHFFFAOYSA-N 0 1 456.575 4.849 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccs3)cc2)c1 ZINC000013552517 555492836 /nfs/dbraw/zinc/49/28/36/555492836.db2.gz NWCSXYYMTOVNIO-DEOSSOPVSA-N 0 1 476.598 4.775 50 30 JJEAMN COc1ccc(-c2csc(C3=C(N)N(N=Cc4ccc(Cl)cc4Cl)CC3=O)n2)cc1 ZINC000013570317 555508317 /nfs/dbraw/zinc/50/83/17/555508317.db2.gz DUIGTSJIDNYWOO-YCPBAFNGSA-N 0 1 459.358 4.672 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000013571350 555509595 /nfs/dbraw/zinc/50/95/95/555509595.db2.gz JYFOQXWJFXUPDE-LJQANCHMSA-N 0 1 469.291 4.537 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O ZINC000019955435 555570552 /nfs/dbraw/zinc/57/05/52/555570552.db2.gz SPWCTWTYWHZQPI-RCDICMHDSA-N 0 1 498.557 4.684 50 30 JJEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000019997280 555577524 /nfs/dbraw/zinc/57/75/24/555577524.db2.gz VQHWIFWNELUCHP-DEOSSOPVSA-N 0 1 483.008 4.764 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000020263428 555745860 /nfs/dbraw/zinc/74/58/60/555745860.db2.gz GUVDXRHLTQTBMA-QFIPXVFZSA-N 0 1 456.970 4.612 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000020263461 555745871 /nfs/dbraw/zinc/74/58/71/555745871.db2.gz VAQGSFBFVXBOJR-DEOSSOPVSA-N 0 1 462.590 4.689 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020310738 555769607 /nfs/dbraw/zinc/76/96/07/555769607.db2.gz CTQVEYHJNVEXMD-RUZDIDTESA-N 0 1 480.605 4.800 50 30 JJEAMN N#Cc1c(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2c1CCCC2 ZINC000022038137 555865260 /nfs/dbraw/zinc/86/52/60/555865260.db2.gz YCALTYOUXRHFFQ-UHFFFAOYSA-N 0 1 470.642 4.844 50 30 JJEAMN C=CCN(Cc1ccc(Br)s1)C(=O)CSc1nc(-c2cccs2)n[nH]1 ZINC000012797296 556113718 /nfs/dbraw/zinc/11/37/18/556113718.db2.gz HMRMSHWEIPDJLM-UHFFFAOYSA-N 0 1 455.428 4.664 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024303456 556128769 /nfs/dbraw/zinc/12/87/69/556128769.db2.gz HHOWEKLPTIKGID-XMMPIXPASA-N 0 1 464.606 4.831 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000016734382 556155711 /nfs/dbraw/zinc/15/57/11/556155711.db2.gz PTGOYNMNRDPDEW-QFIPXVFZSA-N 0 1 460.442 4.531 50 30 JJEAMN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)C(=O)C(=O)N1Cc1ccncc1 ZINC000016750457 556156879 /nfs/dbraw/zinc/15/68/79/556156879.db2.gz ZQVZJQMGRNZHRN-SSOJOUAXSA-N 0 1 470.525 4.582 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000017044982 556210737 /nfs/dbraw/zinc/21/07/37/556210737.db2.gz BLHDCBGYGHBCIM-VWLOTQADSA-N 0 1 488.540 4.666 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000026458946 556254411 /nfs/dbraw/zinc/25/44/11/556254411.db2.gz NPTYKQYJCFRHTF-HSZRJFAPSA-N 0 1 465.477 4.995 50 30 JJEAMN COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000028616607 556336510 /nfs/dbraw/zinc/33/65/10/556336510.db2.gz KKNYGDAPDRFEST-LLVKDONJSA-N 0 1 475.357 4.743 50 30 JJEAMN C[C@@H](Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(Br)cc1 ZINC000028616615 556336924 /nfs/dbraw/zinc/33/69/24/556336924.db2.gz IQLKZTQJKFBJOW-LLVKDONJSA-N 0 1 489.782 4.844 50 30 JJEAMN COc1cc(Cl)c(C)cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 ZINC000031773910 556403924 /nfs/dbraw/zinc/40/39/24/556403924.db2.gz MSHIZVLEYOHYIZ-UHFFFAOYSA-N 0 1 475.357 4.663 50 30 JJEAMN Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1C#N ZINC000032950556 556566101 /nfs/dbraw/zinc/56/61/01/556566101.db2.gz PTWCJUMKYFKAIC-UHFFFAOYSA-N 0 1 486.475 4.557 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000008384140 569589229 /nfs/dbraw/zinc/58/92/29/569589229.db2.gz KYKFXZNIDPOELB-FQEVSTJZSA-N 0 1 483.521 4.566 50 30 JJEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCC=C)c(C)c1 ZINC000008433271 569589563 /nfs/dbraw/zinc/58/95/63/569589563.db2.gz LRZCEUKBFHTTQE-AREMUKBSSA-N 0 1 484.556 4.770 50 30 JJEAMN Cc1ccc(NC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)cc1C ZINC000061876594 569609211 /nfs/dbraw/zinc/60/92/11/569609211.db2.gz LPTWPXYGHQJICM-VWLOTQADSA-N 0 1 490.611 4.815 50 30 JJEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000095481567 569724702 /nfs/dbraw/zinc/72/47/02/569724702.db2.gz HKSCNDYSFWTSLI-XMMPIXPASA-N 0 1 473.573 4.858 50 30 JJEAMN CCOC(=O)c1c2cc(Oc3ncccc3C#N)ccc2n(-c2ccc(OC)cc2)c1CN(C)C ZINC000096576585 569741536 /nfs/dbraw/zinc/74/15/36/569741536.db2.gz BIUBKNNZZLJGIH-UHFFFAOYSA-N 0 1 470.529 4.936 50 30 JJEAMN Cc1ccc(N2C(=O)C(=CNc3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C(=O)NC2=S)cc1 ZINC000100200262 569755156 /nfs/dbraw/zinc/75/51/56/569755156.db2.gz KVOFPIGQAABVDO-NFCNUSAFSA-N 0 1 490.566 4.821 50 30 JJEAMN COc1ccc(Oc2ccc(NC=C3C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000100200120 569755162 /nfs/dbraw/zinc/75/51/62/569755162.db2.gz ZXSMMYSYMNQZDZ-WGLQLPMYSA-N 0 1 459.527 4.562 50 30 JJEAMN C=CCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2C)CC1 ZINC000036340149 569763574 /nfs/dbraw/zinc/76/35/74/569763574.db2.gz BMVDAZXQXHPAEA-SANMLTNESA-N 0 1 456.634 4.800 50 30 JJEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342098 569765487 /nfs/dbraw/zinc/76/54/87/569765487.db2.gz SNZWYXVUWPJZCH-QHCPKHFHSA-N 0 1 453.558 4.888 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346099 569769036 /nfs/dbraw/zinc/76/90/36/569769036.db2.gz GTBDRHQUFOBLJN-QHCPKHFHSA-N 0 1 465.569 4.888 50 30 JJEAMN O=C1c2ccccc2C(=NS(=O)(=O)c2cccs2)CC1=Nc1ccc(Br)cc1 ZINC000100822401 569771566 /nfs/dbraw/zinc/77/15/66/569771566.db2.gz RYHSIVUCWAGIQM-QJOMJCCJSA-N 0 1 473.373 4.881 50 30 JJEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1 ZINC000101069984 569781062 /nfs/dbraw/zinc/78/10/62/569781062.db2.gz ZDNZZTFOGKENAG-SELCWUDQSA-N 0 1 455.333 4.528 50 30 JJEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Br)c1 ZINC000101101301 569782822 /nfs/dbraw/zinc/78/28/22/569782822.db2.gz ZZBDNECEBJEITQ-GHNGSUTGSA-N 0 1 455.333 4.528 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000101313844 569792306 /nfs/dbraw/zinc/79/23/06/569792306.db2.gz XDGYQKDNUYRBLO-XCSSDTEYSA-N 0 1 482.536 4.592 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101313852 569792357 /nfs/dbraw/zinc/79/23/57/569792357.db2.gz KOZYQQOWBXXRPZ-BFLOGMOSSA-N 0 1 482.536 4.592 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000101313879 569792374 /nfs/dbraw/zinc/79/23/74/569792374.db2.gz UEGQSIXLDDPADS-UUALVTFQSA-N 0 1 497.547 4.687 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102875669 569826388 /nfs/dbraw/zinc/82/63/88/569826388.db2.gz MGRKUQMZIJNQIN-HVESIFNPSA-N 0 1 486.908 4.657 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000102929670 569827920 /nfs/dbraw/zinc/82/79/20/569827920.db2.gz JESMBRDUQTVVLA-UYTDBDHRSA-N 0 1 490.766 4.889 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102930320 569827982 /nfs/dbraw/zinc/82/79/82/569827982.db2.gz SRIOKXBTYSHAEI-HVESIFNPSA-N 0 1 471.332 4.541 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102931658 569828442 /nfs/dbraw/zinc/82/84/42/569828442.db2.gz TXNSAHONBXXIOV-NHFXJNLRSA-N 0 1 479.514 4.693 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102931617 569828484 /nfs/dbraw/zinc/82/84/84/569828484.db2.gz NLRIHDSLOQCIHZ-ZHHPLPSFSA-N 0 1 470.997 4.845 50 30 JJEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000102933304 569828979 /nfs/dbraw/zinc/82/89/79/569828979.db2.gz UFPZKZASTGQZFL-SBXHHDGASA-N 0 1 473.573 4.701 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(F)cc2)cc1C ZINC000103143792 569833382 /nfs/dbraw/zinc/83/33/82/569833382.db2.gz FZGFJJKDWAZRGS-ZHHPLPSFSA-N 0 1 455.526 4.771 50 30 JJEAMN CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccc(Br)cc3)c2=O)c(C#N)c1C ZINC000103864690 569838553 /nfs/dbraw/zinc/83/85/53/569838553.db2.gz UWEIXJRPQZTWPD-YBEGLDIGSA-N 0 1 473.352 4.586 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000103990956 569839756 /nfs/dbraw/zinc/83/97/56/569839756.db2.gz QXNXFKCPYBKJRF-PLWHFILJSA-N 0 1 469.537 4.683 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000104114022 569841017 /nfs/dbraw/zinc/84/10/17/569841017.db2.gz CRNAKXPEWMFMQQ-AYWGPLOBSA-N 0 1 463.917 4.979 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000104185539 569842551 /nfs/dbraw/zinc/84/25/51/569842551.db2.gz OXNFXRGTTHUXAP-UYTDBDHRSA-N 0 1 459.296 4.671 50 30 JJEAMN O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000104185539 569842549 /nfs/dbraw/zinc/84/25/49/569842549.db2.gz OXNFXRGTTHUXAP-UYTDBDHRSA-N 0 1 459.296 4.671 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000104244439 569844062 /nfs/dbraw/zinc/84/40/62/569844062.db2.gz WAWQNWPWRRRMCJ-UYTDBDHRSA-N 0 1 459.296 4.671 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984105 569848490 /nfs/dbraw/zinc/84/84/90/569848490.db2.gz JFMXKDOJRJWUQD-VQTJNVASSA-N 0 1 467.368 4.691 50 30 JJEAMN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000002876104 194167162 /nfs/dbraw/zinc/16/71/62/194167162.db2.gz ZMJGQOQHXKGDQS-UHFFFAOYSA-N 0 1 498.004 4.926 50 30 JJEAMN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)c3)sc2C1 ZINC000003621143 194342025 /nfs/dbraw/zinc/34/20/25/194342025.db2.gz ZALBVFCZWMGWPC-AWEZNQCLSA-N 0 1 496.570 4.706 50 30 JJEAMN O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000004003432 194368601 /nfs/dbraw/zinc/36/86/01/194368601.db2.gz ZKDYQJZLHCEXGX-MLNTVTBVSA-N 0 1 486.597 4.688 50 30 JJEAMN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102374177 130124094 /nfs/dbraw/zinc/12/40/94/130124094.db2.gz GHSZROCWFZODJL-AYWGPLOBSA-N 0 1 479.964 4.836 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1C ZINC000102436196 130131104 /nfs/dbraw/zinc/13/11/04/130131104.db2.gz AVLGZWVQFMFWHX-NXLSWJSLSA-N 0 1 457.530 4.586 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102528676 130181428 /nfs/dbraw/zinc/18/14/28/130181428.db2.gz ODJUTICZXYCOTC-NHFXJNLRSA-N 0 1 480.473 4.672 50 30 JJEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1 ZINC000102528566 130181516 /nfs/dbraw/zinc/18/15/16/130181516.db2.gz OAWGGMWGDOZBQK-UUALVTFQSA-N 0 1 491.547 4.986 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1 ZINC000102536098 130190688 /nfs/dbraw/zinc/19/06/88/130190688.db2.gz VNLUSMBDGJOVOD-ONQGDUAMSA-N 0 1 491.547 4.986 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102537326 130192312 /nfs/dbraw/zinc/19/23/12/130192312.db2.gz OYAVOGBXXSGIOR-NXLSWJSLSA-N 0 1 458.514 4.501 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102645838 130229661 /nfs/dbraw/zinc/22/96/61/130229661.db2.gz HRBHLIJLIAYKEB-NGAXIMOQSA-N 0 1 499.563 4.657 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102712280 130258598 /nfs/dbraw/zinc/25/85/98/130258598.db2.gz CDRQXSIRQVDIES-NHFXJNLRSA-N 0 1 464.345 4.769 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102712284 130258653 /nfs/dbraw/zinc/25/86/53/130258653.db2.gz CDRQXSIRQVDIES-YDJIHCHBSA-N 0 1 464.345 4.769 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102719601 130265671 /nfs/dbraw/zinc/26/56/71/130265671.db2.gz FYONEWUVFPKVFK-IBOXJLQUSA-N 0 1 488.974 4.969 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102723413 130268555 /nfs/dbraw/zinc/26/85/55/130268555.db2.gz MBLFEGGMEYSMNQ-LFVOPCPISA-N 0 1 480.542 4.889 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccs3)cc2)c1 ZINC000102727616 130272066 /nfs/dbraw/zinc/27/20/66/130272066.db2.gz ZWLWLMSFLSNRHS-NXLSWJSLSA-N 0 1 476.598 4.619 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccs2)nc1C ZINC000102798766 130307578 /nfs/dbraw/zinc/30/75/78/130307578.db2.gz XHNCVHXSKFLRPB-GROYHEBESA-N 0 1 468.556 4.624 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102801442 130310719 /nfs/dbraw/zinc/31/07/19/130310719.db2.gz UTUVGPLTVWZELG-GHNGSUTGSA-N 0 1 485.359 4.931 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102801444 130310790 /nfs/dbraw/zinc/31/07/90/130310790.db2.gz UTUVGPLTVWZELG-SELCWUDQSA-N 0 1 485.359 4.931 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102860157 130330560 /nfs/dbraw/zinc/33/05/60/130330560.db2.gz VLKWEBXSBIYZRH-JBCNATCCSA-N 0 1 494.500 4.980 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102862152 130334111 /nfs/dbraw/zinc/33/41/11/130334111.db2.gz ZNLCJCZCLXFBBP-XVTRYDTASA-N 0 1 485.536 4.649 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102880895 130357519 /nfs/dbraw/zinc/35/75/19/130357519.db2.gz XZUKYIVGCVHXLV-MOBKVPTQSA-N 0 1 493.903 4.664 50 30 JJEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000102882924 130362098 /nfs/dbraw/zinc/36/20/98/130362098.db2.gz BKCHLSYGGQTVRH-FYPOKDMHSA-N 0 1 479.573 4.647 50 30 JJEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102882794 130362177 /nfs/dbraw/zinc/36/21/77/130362177.db2.gz SSQMDHCJKLABEX-YMMFOPJESA-N 0 1 459.498 4.624 50 30 JJEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000102882920 130362206 /nfs/dbraw/zinc/36/22/06/130362206.db2.gz BKCHLSYGGQTVRH-CRJQIMHWSA-N 0 1 479.573 4.647 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000102887222 130368543 /nfs/dbraw/zinc/36/85/43/130368543.db2.gz ZKLVZEXZUIXKLA-CJJGVWJISA-N 0 1 485.536 4.869 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)s1 ZINC000102890040 130371184 /nfs/dbraw/zinc/37/11/84/130371184.db2.gz IYUYHHOHKQKFQM-AYWGPLOBSA-N 0 1 498.564 4.755 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102891371 130372788 /nfs/dbraw/zinc/37/27/88/130372788.db2.gz KWBXHZYPAARGDY-WOOAAIBNSA-N 0 1 459.285 4.925 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000102892578 130374824 /nfs/dbraw/zinc/37/48/24/130374824.db2.gz PHNSCRCAEHEXSD-IOUQRVAPSA-N 0 1 484.552 4.816 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000102892586 130374848 /nfs/dbraw/zinc/37/48/48/130374848.db2.gz PHNSCRCAEHEXSD-XCSSDTEYSA-N 0 1 484.552 4.816 50 30 JJEAMN C=CCC[C@@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036309385 518712478 /nfs/dbraw/zinc/71/24/78/518712478.db2.gz XMAPQTDBAXUYTQ-GGAORHGYSA-N 0 1 456.652 4.519 50 30 JJEAMN C=CCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305747 518714859 /nfs/dbraw/zinc/71/48/59/518714859.db2.gz DHTQOLYTJDOJLI-JOCHJYFZSA-N 0 1 465.594 4.664 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307129 518985568 /nfs/dbraw/zinc/98/55/68/518985568.db2.gz WVOSFKNQSQWJTD-QFIPXVFZSA-N 0 1 451.542 4.546 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307132 518994164 /nfs/dbraw/zinc/99/41/64/518994164.db2.gz WVOSFKNQSQWJTD-JOCHJYFZSA-N 0 1 451.542 4.546 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009436657 519022798 /nfs/dbraw/zinc/02/27/98/519022798.db2.gz FHOJNIVJPPMMFY-RUZDIDTESA-N 0 1 486.524 4.529 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009471295 519048044 /nfs/dbraw/zinc/04/80/44/519048044.db2.gz OERKCMKIVBOGJY-SANMLTNESA-N 0 1 483.520 4.801 50 30 JJEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009041780 519050433 /nfs/dbraw/zinc/05/04/33/519050433.db2.gz WTVFEBCUBVLXKU-NXLSWJSLSA-N 0 1 497.035 4.782 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009424079 519059477 /nfs/dbraw/zinc/05/94/77/519059477.db2.gz UNHSMQQKJQVGSO-HFJWLAOPSA-N 0 1 482.536 4.748 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009403611 519060034 /nfs/dbraw/zinc/06/00/34/519060034.db2.gz NXNKWYHKCZYFGX-SSOJOUAXSA-N 0 1 471.509 4.946 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009350453 519062075 /nfs/dbraw/zinc/06/20/75/519062075.db2.gz CGJVIUKPOVSPJA-DWXRJYCRSA-N 0 1 482.536 4.748 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009273023 519720912 /nfs/dbraw/zinc/72/09/12/519720912.db2.gz RRSAQFPEUULGND-JOCHJYFZSA-N 0 1 491.887 4.990 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009411322 519762234 /nfs/dbraw/zinc/76/22/34/519762234.db2.gz FDRDEQXLMJQNBU-XMMPIXPASA-N 0 1 487.512 4.803 50 30 JJEAMN CCCCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O ZINC000003031928 520054829 /nfs/dbraw/zinc/05/48/29/520054829.db2.gz CFIOXGZETJJKCQ-UHFFFAOYSA-N 0 1 490.025 4.707 50 30 JJEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000009312545 520259002 /nfs/dbraw/zinc/25/90/02/520259002.db2.gz BPYCVHIWZUJMFO-BVZFJXPGSA-N 0 1 479.573 4.804 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000009281820 520331051 /nfs/dbraw/zinc/33/10/51/520331051.db2.gz KERZKICXODTYJS-VWLOTQADSA-N 0 1 488.540 4.666 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccs2)cc1 ZINC000009041861 520331909 /nfs/dbraw/zinc/33/19/09/520331909.db2.gz YTWWDEJLPDNVOA-GOSISDBHSA-N 0 1 498.582 4.871 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(O)cc2)cc1 ZINC000016805341 520862653 /nfs/dbraw/zinc/86/26/53/520862653.db2.gz DKOUKPOHVFHLPC-FQEVSTJZSA-N 0 1 465.531 4.514 50 30 JJEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000009353982 520909016 /nfs/dbraw/zinc/90/90/16/520909016.db2.gz CPXUXTHKXQVWMD-CJAUYULYSA-N 0 1 479.573 4.804 50 30 JJEAMN CCOC(=O)[C@@](NC(=O)c1cccc(F)c1)(Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000003103123 521172896 /nfs/dbraw/zinc/17/28/96/521172896.db2.gz XDRCSVWLKPJLLY-KRWDZBQOSA-N 0 1 452.326 4.508 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000016741834 521237151 /nfs/dbraw/zinc/23/71/51/521237151.db2.gz NHCKDMBHIJGZGL-HXUWFJFHSA-N 0 1 461.499 4.774 50 30 JJEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000009424793 521424655 /nfs/dbraw/zinc/42/46/55/521424655.db2.gz BNJPJAGVIDCKNB-VWLOTQADSA-N 0 1 471.509 4.635 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)nc1C ZINC000016737457 521610388 /nfs/dbraw/zinc/61/03/88/521610388.db2.gz PZWOUUYGKKVJFW-LJQANCHMSA-N 0 1 480.542 4.929 50 30 JJEAMN COc1cc(C=CC(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc(Cl)c1OCC(C)C ZINC000009254084 521933934 /nfs/dbraw/zinc/93/39/34/521933934.db2.gz VBBIIACUKGNUHR-SQRWCISFSA-N 0 1 462.955 4.581 50 30 JJEAMN COc1cc(C=CC(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc(Cl)c1OCC(C)C ZINC000009254084 521933945 /nfs/dbraw/zinc/93/39/45/521933945.db2.gz VBBIIACUKGNUHR-SQRWCISFSA-N 0 1 462.955 4.581 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccc2)nc1C ZINC000009302088 522424013 /nfs/dbraw/zinc/42/40/13/522424013.db2.gz WQYLSTSZJDQBMX-SFHVURJKSA-N 0 1 498.944 4.683 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000009308829 522917379 /nfs/dbraw/zinc/91/73/79/522917379.db2.gz KZUHMPKTRIJVOO-XMMPIXPASA-N 0 1 486.480 4.947 50 30 JJEAMN COc1ccc(-c2cc(C(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)c3ccccc3n2)cc1 ZINC000009244726 523103431 /nfs/dbraw/zinc/10/34/31/523103431.db2.gz MOTBFEMERDPONQ-FQEVSTJZSA-N 0 1 457.511 4.709 50 30 JJEAMN COc1ccc(-c2cc(C(=O)OCC(=O)C(C#N)c3nc(C)cs3)c3ccccc3n2)cc1 ZINC000009244726 523103442 /nfs/dbraw/zinc/10/34/42/523103442.db2.gz MOTBFEMERDPONQ-FQEVSTJZSA-N 0 1 457.511 4.709 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000006015187 523556751 /nfs/dbraw/zinc/55/67/51/523556751.db2.gz AMDXDQBDSHCQKE-DEOSSOPVSA-N 0 1 459.546 4.684 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009009014 523561656 /nfs/dbraw/zinc/56/16/56/523561656.db2.gz IVLABLYRTFOIIE-NRFANRHFSA-N 0 1 479.330 4.631 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)c(C)c1 ZINC000009123656 523563420 /nfs/dbraw/zinc/56/34/20/523563420.db2.gz RDINUWIKLAQANK-QFIPXVFZSA-N 0 1 493.357 4.940 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009272880 523565429 /nfs/dbraw/zinc/56/54/29/523565429.db2.gz JPTUOLUZNVMCJW-FQEVSTJZSA-N 0 1 468.303 4.829 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009370654 523573244 /nfs/dbraw/zinc/57/32/44/523573244.db2.gz AHZLMEOTGUNMRO-GOSISDBHSA-N 0 1 456.285 4.575 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000009312231 523794905 /nfs/dbraw/zinc/79/49/05/523794905.db2.gz NDNOCORJUIXTKJ-PPHZAIPVSA-N 0 1 499.563 4.814 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009123653 524386785 /nfs/dbraw/zinc/38/67/85/524386785.db2.gz QBSCOHIXYSTFCB-UPIFZZQJSA-N 0 1 456.454 4.786 50 30 JJEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009428363 524911465 /nfs/dbraw/zinc/91/14/65/524911465.db2.gz HPPOPUGJINYXGV-NRFANRHFSA-N 0 1 453.878 4.729 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000009354501 524977253 /nfs/dbraw/zinc/97/72/53/524977253.db2.gz JWCVHVQKQCDWPP-GKVSMKOHSA-N 0 1 455.510 4.537 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009359769 524977464 /nfs/dbraw/zinc/97/74/64/524977464.db2.gz XSTVRGWUVNVOOX-WNSKOXEYSA-N 0 1 460.917 4.837 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009312598 525222533 /nfs/dbraw/zinc/22/25/33/525222533.db2.gz NQIKOKWTCIABTQ-WGDIFIGCSA-N 0 1 485.536 4.806 50 30 JJEAMN Cc1cc([O-])c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2c1C(=O)/C(=C/c1cccnc1)O2 ZINC000041585245 525315757 /nfs/dbraw/zinc/31/57/57/525315757.db2.gz NLABYKRLQXLEFL-QRVIBDJDSA-N 0 1 461.949 4.687 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000009044076 525388073 /nfs/dbraw/zinc/38/80/73/525388073.db2.gz JLAYZJXGRXKAKN-QFIPXVFZSA-N 0 1 464.905 4.531 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009233132 525391763 /nfs/dbraw/zinc/39/17/63/525391763.db2.gz HEKDYYLJJIBFNZ-FQEVSTJZSA-N 0 1 480.473 4.829 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000009313068 525518802 /nfs/dbraw/zinc/51/88/02/525518802.db2.gz XZQOCXBBFZTTTE-VOIUYBSRSA-N 0 1 470.481 4.697 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009124474 525518921 /nfs/dbraw/zinc/51/89/21/525518921.db2.gz QCEFUUISJZKOEB-CWTRNNRKSA-N 0 1 452.919 4.903 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009044708 525668936 /nfs/dbraw/zinc/66/89/36/525668936.db2.gz POJHVZZGFNNACK-LJQANCHMSA-N 0 1 477.454 4.589 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000009339538 525668989 /nfs/dbraw/zinc/66/89/89/525668989.db2.gz DYFIKIWRYWYEKT-FQEVSTJZSA-N 0 1 462.483 4.689 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 ZINC000009237305 525669429 /nfs/dbraw/zinc/66/94/29/525669429.db2.gz FYJQGHIIVLERDJ-IBGZPJMESA-N 0 1 450.447 4.820 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009271129 525670681 /nfs/dbraw/zinc/67/06/81/525670681.db2.gz JQTMZUIGTNKOMZ-IBGZPJMESA-N 0 1 450.447 4.820 50 30 JJEAMN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NCCc2cnc[nH]2)cc1 ZINC000009356383 525985850 /nfs/dbraw/zinc/98/58/50/525985850.db2.gz LNGBQWYZSHIVFW-NDEPHWFRSA-N 0 1 483.616 4.693 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000009272950 526268809 /nfs/dbraw/zinc/26/88/09/526268809.db2.gz GGMBCJLEYIQFCH-PKOBYXMFSA-N 0 1 476.754 4.860 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000009067837 526272266 /nfs/dbraw/zinc/27/22/66/526272266.db2.gz VJOGIKYJKRUROU-MRXNPFEDSA-N 0 1 486.303 4.597 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000009969644 526353469 /nfs/dbraw/zinc/35/34/69/526353469.db2.gz RQPVLPNOHHCHLZ-JOCHJYFZSA-N 0 1 484.537 4.603 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)s1 ZINC000009243209 526353645 /nfs/dbraw/zinc/35/36/45/526353645.db2.gz XMFWIQTXTXNLIW-HSZRJFAPSA-N 0 1 498.564 4.912 50 30 JJEAMN CCCCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102892494 535094149 /nfs/dbraw/zinc/09/41/49/535094149.db2.gz CZXCRYKSVNWZRH-MOBKVPTQSA-N 0 1 466.490 4.780 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102690929 535417797 /nfs/dbraw/zinc/41/77/97/535417797.db2.gz RBQIFDYGMCWPEM-JBCNATCCSA-N 0 1 464.543 4.955 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102806113 535687594 /nfs/dbraw/zinc/68/75/94/535687594.db2.gz JHPPYFJYIIUAOZ-NPJIAGGLSA-N 0 1 488.540 4.595 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102720694 536539254 /nfs/dbraw/zinc/53/92/54/536539254.db2.gz IUHZPPRXHGRXEA-IUKMQXEJSA-N 0 1 497.588 4.505 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000000702994 553762097 /nfs/dbraw/zinc/76/20/97/553762097.db2.gz DKLHEEBGLAWQEU-HSZRJFAPSA-N 0 1 459.454 4.909 50 30 JJEAMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)cc1OC ZINC000001413336 553967588 /nfs/dbraw/zinc/96/75/88/553967588.db2.gz CKPODIRSIBBIDZ-JOCHJYFZSA-N 0 1 467.518 4.725 50 30 JJEAMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000001413333 553967606 /nfs/dbraw/zinc/96/76/06/553967606.db2.gz QPWXYLACCAKDGS-QHCPKHFHSA-N 0 1 463.555 4.895 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000001413338 553967627 /nfs/dbraw/zinc/96/76/27/553967627.db2.gz WRUPYPJWZQDCCW-HSZRJFAPSA-N 0 1 479.554 4.595 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccccc2)cc1 ZINC000001413486 553967809 /nfs/dbraw/zinc/96/78/09/553967809.db2.gz SNZDLHGTCRUDDY-VWLOTQADSA-N 0 1 452.510 4.998 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccco3)sc2c1 ZINC000001451981 553974179 /nfs/dbraw/zinc/97/41/79/553974179.db2.gz BWBQKRLGLWFPBD-OAQYLSRUSA-N 0 1 476.510 4.998 50 30 JJEAMN 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Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/N=C2\NC(=O)C(C)S2)cc1Cl ZINC000008387141 554570110 /nfs/dbraw/zinc/57/01/10/554570110.db2.gz ZIDIPXMURACPDA-REMUQMNCSA-N 0 1 487.990 4.511 50 30 JJEAMN Cc1ccccc1N1CCN(CCCCN2CC(=O)C(=C3c4ccccc4-c4ccccc43)C2=O)CC1 ZINC000008399063 554573979 /nfs/dbraw/zinc/57/39/79/554573979.db2.gz HNXJPOPNQFFHRM-UHFFFAOYSA-N 0 1 491.635 4.791 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008741017 554643226 /nfs/dbraw/zinc/64/32/26/554643226.db2.gz AXWFOEGJEISEGE-VWLOTQADSA-N 0 1 488.540 4.752 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008743775 554646635 /nfs/dbraw/zinc/64/66/35/554646635.db2.gz NYSKQMFABUXHHR-LJQANCHMSA-N 0 1 470.312 4.965 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008744127 554647171 /nfs/dbraw/zinc/64/71/71/554647171.db2.gz JGHXWGRLQXYRFD-LJQANCHMSA-N 0 1 469.291 4.537 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)nc1C ZINC000008779299 554676584 /nfs/dbraw/zinc/67/65/84/554676584.db2.gz GASZGXNPCVLXBP-MRXNPFEDSA-N 0 1 472.519 4.612 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000008816951 554699275 /nfs/dbraw/zinc/69/92/75/554699275.db2.gz LARKJCMKOQHKNA-DEOSSOPVSA-N 0 1 450.579 4.622 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000008816951 554699278 /nfs/dbraw/zinc/69/92/78/554699278.db2.gz LARKJCMKOQHKNA-DEOSSOPVSA-N 0 1 450.579 4.622 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1OC ZINC000008856321 554752269 /nfs/dbraw/zinc/75/22/69/554752269.db2.gz FNAJBFCLOFPYDC-GOSISDBHSA-N 0 1 456.907 4.597 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008905192 554799676 /nfs/dbraw/zinc/79/96/76/554799676.db2.gz ZVLFSRDSIHOSQA-QHCPKHFHSA-N 0 1 473.485 4.556 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008973220 554844437 /nfs/dbraw/zinc/84/44/37/554844437.db2.gz QNXYKNOWKPKHJX-OAQYLSRUSA-N 0 1 487.493 4.996 50 30 JJEAMN Cc1c(N2C(=O)C(=O)C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000008996150 554856581 /nfs/dbraw/zinc/85/65/81/554856581.db2.gz HFAWRGZEIVLTJK-RUZDIDTESA-N 0 1 497.526 4.715 50 30 JJEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009008230 554862507 /nfs/dbraw/zinc/86/25/07/554862507.db2.gz BUTGSMZRKOHHAR-QFIPXVFZSA-N 0 1 464.905 4.531 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000009123702 554914401 /nfs/dbraw/zinc/91/44/01/554914401.db2.gz VLPGLESQIKJAIB-IBGZPJMESA-N 0 1 480.517 4.859 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009235947 555010058 /nfs/dbraw/zinc/01/00/58/555010058.db2.gz IXIAKJXIIISLGV-MRXNPFEDSA-N 0 1 486.303 4.597 50 30 JJEAMN 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CCOc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C(=O)C(=O)N1Cc1ccncc1 ZINC000016750460 556156826 /nfs/dbraw/zinc/15/68/26/556156826.db2.gz ZQVZJQMGRNZHRN-NSYGIPOTSA-N 0 1 470.525 4.582 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016751260 556157189 /nfs/dbraw/zinc/15/71/89/556157189.db2.gz GVHABLLXNGGFCC-XHCCPWGMSA-N 0 1 498.579 4.942 50 30 JJEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000017160109 556229326 /nfs/dbraw/zinc/22/93/26/556229326.db2.gz ZFHDWHXOXINKMF-XMMPIXPASA-N 0 1 457.530 4.598 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000026459119 556254473 /nfs/dbraw/zinc/25/44/73/556254473.db2.gz KMQOZYFETNCONA-HSZRJFAPSA-N 0 1 481.476 4.613 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000026458942 556254581 /nfs/dbraw/zinc/25/45/81/556254581.db2.gz NPTYKQYJCFRHTF-QHCPKHFHSA-N 0 1 465.477 4.995 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000027988012 556311370 /nfs/dbraw/zinc/31/13/70/556311370.db2.gz JBHUQRQPJNFCRG-VWLOTQADSA-N 0 1 497.588 4.662 50 30 JJEAMN COc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(Br)c1O ZINC000019808961 556380223 /nfs/dbraw/zinc/38/02/23/556380223.db2.gz PJYYDZLAGOZOGP-JVWAILMASA-N 0 1 478.390 4.885 50 30 JJEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008468819 562939537 /nfs/dbraw/zinc/93/95/37/562939537.db2.gz PBOVAJABGWDCAP-QFIPXVFZSA-N 0 1 460.442 4.529 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000095532318 569725513 /nfs/dbraw/zinc/72/55/13/569725513.db2.gz PZCROHBLMVQSNO-OAQYLSRUSA-N 0 1 486.355 4.867 50 30 JJEAMN [NH2+]=C(Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1)Nc1ccccc1C(F)(F)F ZINC000095536693 569725749 /nfs/dbraw/zinc/72/57/49/569725749.db2.gz BPPLFBFIIOHUAO-UHFFFAOYSA-N 0 1 453.877 4.793 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000095875809 569729235 /nfs/dbraw/zinc/72/92/35/569729235.db2.gz KMMKCGVFCCZHFH-VWLOTQADSA-N 0 1 471.557 4.679 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097966997 569748081 /nfs/dbraw/zinc/74/80/81/569748081.db2.gz LDCVCJUYQHQLMI-RUZDIDTESA-N 0 1 487.556 4.515 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100346003 569757810 /nfs/dbraw/zinc/75/78/10/569757810.db2.gz WBBRAAAPNWXDOB-XTXDOFFSSA-N 0 1 456.454 4.786 50 30 JJEAMN C#CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1 ZINC000036301684 569759223 /nfs/dbraw/zinc/75/92/23/569759223.db2.gz CYNRVEAXZNOEBY-HSZRJFAPSA-N 0 1 498.023 4.858 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000100446416 569761422 /nfs/dbraw/zinc/76/14/22/569761422.db2.gz GYNDHPGPYNWCCD-GHNGSUTGSA-N 0 1 457.255 4.511 50 30 JJEAMN C=CCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000036340574 569764022 /nfs/dbraw/zinc/76/40/22/569764022.db2.gz HFLJPONGQKTFAN-AREMUKBSSA-N 0 1 456.634 4.800 50 30 JJEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342099 569765418 /nfs/dbraw/zinc/76/54/18/569765418.db2.gz SNZWYXVUWPJZCH-HSZRJFAPSA-N 0 1 453.558 4.888 50 30 JJEAMN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345815 569768189 /nfs/dbraw/zinc/76/81/89/569768189.db2.gz WKFBWIZGKBVXLM-QHCPKHFHSA-N 0 1 465.569 4.587 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000101294324 569790116 /nfs/dbraw/zinc/79/01/16/569790116.db2.gz JEFLSTJLACALOR-CJJGVWJISA-N 0 1 483.520 4.645 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101502775 569801046 /nfs/dbraw/zinc/80/10/46/569801046.db2.gz MCHUGXBIEYXVDJ-HOGKFDNTSA-N 0 1 491.887 4.833 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102169962 569810568 /nfs/dbraw/zinc/81/05/68/569810568.db2.gz KOCXXDARUWASGQ-NXLSWJSLSA-N 0 1 487.512 4.647 50 30 JJEAMN CCCCCCCCCC(=O)N1CCN(c2nc(CN(CC)Cc3ccccc3)cc(=O)[nH]2)CC1 ZINC000103243292 569834027 /nfs/dbraw/zinc/83/40/27/569834027.db2.gz VLGMOHPTBWGXDC-UHFFFAOYSA-N 0 1 481.685 4.581 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000103998434 569839765 /nfs/dbraw/zinc/83/97/65/569839765.db2.gz CFBCXNWQPIYRQQ-ROBPHKHBSA-N 0 1 499.563 4.779 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC ZINC000104006085 569839829 /nfs/dbraw/zinc/83/98/29/569839829.db2.gz RYEZUCOQTXXEAO-FZIYRNTBSA-N 0 1 499.563 4.692 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000104008366 569839884 /nfs/dbraw/zinc/83/98/84/569839884.db2.gz FQJSNKIXTNWOIX-KXCNXCNDSA-N 0 1 493.600 4.893 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104137913 569841809 /nfs/dbraw/zinc/84/18/09/569841809.db2.gz MDKNEIYBDJJWHO-MRJHHRETSA-N 0 1 464.861 4.883 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000104133280 569841837 /nfs/dbraw/zinc/84/18/37/569841837.db2.gz AILSCNGZGACCNH-MRJHHRETSA-N 0 1 464.861 4.883 50 30 JJEAMN CCc1nc(C)cc(NCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)c1O ZINC000253499358 570101011 /nfs/dbraw/zinc/10/10/11/570101011.db2.gz FOBHGICENKVURL-ZQGOCCMTSA-N 0 1 480.649 4.902 50 30 JJEAMN CCOC(=O)C1=NO[C@@]2(C(C)=NO)[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253531767 570103064 /nfs/dbraw/zinc/10/30/64/570103064.db2.gz NBGKJKDAKQLFLW-TWTYWHGFSA-N 0 1 486.609 4.645 50 30 JJEAMN CCOC(=O)C1=NO[C@@]2(C(C)=NO)[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253531765 570103113 /nfs/dbraw/zinc/10/31/13/570103113.db2.gz NBGKJKDAKQLFLW-BGJGGGRTSA-N 0 1 486.609 4.645 50 30 JJEAMN CC1=Nc2ccccc2N=C(NC(O)=CSc2nnnn2-c2ccccc2)[C@H]1c1ccccc1 ZINC000001107393 194025834 /nfs/dbraw/zinc/02/58/34/194025834.db2.gz XGPDNZGMDPNJSO-HSZRJFAPSA-N 0 1 467.558 4.681 50 30 aggregator JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1F ZINC000001134892 194041568 /nfs/dbraw/zinc/04/15/68/194041568.db2.gz BVWQEDBGNWBFKX-OAQYLSRUSA-N 0 1 497.320 4.770 50 30 JJEAMN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000002872174 194167196 /nfs/dbraw/zinc/16/71/96/194167196.db2.gz WWANMQIOTSTBJV-UHFFFAOYSA-N 0 1 498.004 4.926 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 ZINC000102484471 130138575 /nfs/dbraw/zinc/13/85/75/130138575.db2.gz JULJVUDUVIOFGY-CJJGVWJISA-N 0 1 470.569 4.557 50 30 JJEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102486538 130140674 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/nfs/dbraw/zinc/21/64/48/130216448.db2.gz IVGDWVSRCNBLLD-GHZOWXKBSA-N 0 1 497.370 4.855 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)nc1C ZINC000102614438 130224382 /nfs/dbraw/zinc/22/43/82/130224382.db2.gz GSZGJQQMDHVVCD-NHFXJNLRSA-N 0 1 492.553 4.652 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccnc3)ccc2O1 ZINC000102676783 130236002 /nfs/dbraw/zinc/23/60/02/130236002.db2.gz OUPWHYWHRRZCOI-JDDIYYEHSA-N 0 1 487.512 4.780 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccs1 ZINC000102714813 130261153 /nfs/dbraw/zinc/26/11/53/130261153.db2.gz YNBSSKCMPIVEGH-ZHHPLPSFSA-N 0 1 463.555 4.704 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccco3)sc2c1 ZINC000102726059 130270671 /nfs/dbraw/zinc/27/06/71/130270671.db2.gz ZTVPBZYRKUTJAH-MRJHHRETSA-N 0 1 476.510 4.841 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102804801 130312238 /nfs/dbraw/zinc/31/22/38/130312238.db2.gz XMZDOIWLRPUEKZ-GROYHEBESA-N 0 1 486.933 4.809 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102804801 130312243 /nfs/dbraw/zinc/31/22/43/130312243.db2.gz XMZDOIWLRPUEKZ-GROYHEBESA-N 0 1 486.933 4.809 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102860340 130331102 /nfs/dbraw/zinc/33/11/02/130331102.db2.gz GEJQPRPMNKQLLZ-UUALVTFQSA-N 0 1 484.596 4.866 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102860340 130331107 /nfs/dbraw/zinc/33/11/07/130331107.db2.gz GEJQPRPMNKQLLZ-UUALVTFQSA-N 0 1 484.596 4.866 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000102860818 130332074 /nfs/dbraw/zinc/33/20/74/130332074.db2.gz LRVVKHCXFIHJHK-IUKMQXEJSA-N 0 1 489.572 4.583 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102874168 130346182 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C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009124477 524979259 /nfs/dbraw/zinc/97/92/59/524979259.db2.gz QCEFUUISJZKOEB-BUXKBTBVSA-N 0 1 452.919 4.903 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000009472416 525218340 /nfs/dbraw/zinc/21/83/40/525218340.db2.gz VJANNPSSISLYML-JOCHJYFZSA-N 0 1 451.450 4.523 50 30 JJEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(O)cc1 ZINC000009380450 525369846 /nfs/dbraw/zinc/36/98/46/525369846.db2.gz AYNHDFAHOKOQOG-RUZDIDTESA-N 0 1 472.541 4.909 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009312597 525389919 /nfs/dbraw/zinc/38/99/19/525389919.db2.gz NQIKOKWTCIABTQ-QLXKLKPCSA-N 0 1 485.536 4.806 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009313274 525518196 /nfs/dbraw/zinc/51/81/96/525518196.db2.gz YLGFCMJGGRHKHT-WXTAPIANSA-N 0 1 468.553 4.855 50 30 JJEAMN COc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000009087438 525650602 /nfs/dbraw/zinc/65/06/02/525650602.db2.gz XGVFNJQAPQLNSE-ZMOGYAJESA-N 0 1 450.520 4.677 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009175462 525668803 /nfs/dbraw/zinc/66/88/03/525668803.db2.gz ITYFDNCWPPRNAX-NRFANRHFSA-N 0 1 487.493 4.996 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000009339537 525671398 /nfs/dbraw/zinc/67/13/98/525671398.db2.gz DYFIKIWRYWYEKT-HXUWFJFHSA-N 0 1 462.483 4.689 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)c1 ZINC000009275488 525782879 /nfs/dbraw/zinc/78/28/79/525782879.db2.gz JWCOGVHLAAXCKM-OAQYLSRUSA-N 0 1 479.330 4.631 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000009067180 526025466 /nfs/dbraw/zinc/02/54/66/526025466.db2.gz JWQRTMJGIJYHAC-NRFANRHFSA-N 0 1 463.331 4.931 50 30 JJEAMN O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000009282404 526269178 /nfs/dbraw/zinc/26/91/78/526269178.db2.gz MBEZIYDZOSVRDP-AREMUKBSSA-N 0 1 477.520 4.834 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009008265 526269391 /nfs/dbraw/zinc/26/93/91/526269391.db2.gz OPMJKSBYHUTASF-LJQANCHMSA-N 0 1 480.274 4.535 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000009008525 526272428 /nfs/dbraw/zinc/27/24/28/526272428.db2.gz WGFOFLLOJIVVOV-MRXNPFEDSA-N 0 1 486.303 4.597 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)s1 ZINC000001464664 526354974 /nfs/dbraw/zinc/35/49/74/526354974.db2.gz UBKHGHFEJSJHKX-QGZVFWFLSA-N 0 1 470.348 4.700 50 30 JJEAMN Clc1ccccc1-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)o1 ZINC000008442818 526983506 /nfs/dbraw/zinc/98/35/06/526983506.db2.gz XYFBXYJDTUMENC-WGOQTCKBSA-N 0 1 475.940 4.811 50 30 JJEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000102650031 535093242 /nfs/dbraw/zinc/09/32/42/535093242.db2.gz LYTWCECIBREQLS-FYPOKDMHSA-N 0 1 479.573 4.647 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102893589 535284999 /nfs/dbraw/zinc/28/49/99/535284999.db2.gz UQLXSRDIONKNNJ-ONQGDUAMSA-N 0 1 499.563 4.911 50 30 JJEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102504588 535442530 /nfs/dbraw/zinc/44/25/30/535442530.db2.gz FGSJQYWTMMKIRH-YDJIHCHBSA-N 0 1 491.481 4.823 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000102882024 535688629 /nfs/dbraw/zinc/68/86/29/535688629.db2.gz QNPMWDMEWQAQPR-WNQPQFFOSA-N 0 1 485.536 4.736 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000096321731 535696195 /nfs/dbraw/zinc/69/61/95/535696195.db2.gz MHFGCICBZXTNKZ-JOCHJYFZSA-N 0 1 483.927 4.743 50 30 JJEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102705062 535830853 /nfs/dbraw/zinc/83/08/53/535830853.db2.gz LKWDXYLNLOIZKX-JBCNATCCSA-N 0 1 488.521 4.865 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000102535023 536539996 /nfs/dbraw/zinc/53/99/96/536539996.db2.gz OZVLKHDFWKOPGR-CZNAVJSXSA-N 0 1 487.552 4.738 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102879077 536566059 /nfs/dbraw/zinc/56/60/59/536566059.db2.gz DIHYVADPYMNWRM-CJJGVWJISA-N 0 1 486.568 4.779 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102533843 536853996 /nfs/dbraw/zinc/85/39/96/536853996.db2.gz SALWAXGMNGMGTO-SBXHHDGASA-N 0 1 459.498 4.556 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000102695601 537073474 /nfs/dbraw/zinc/07/34/74/537073474.db2.gz JQUKSXCSCFTNMN-WOOAAIBNSA-N 0 1 459.285 4.925 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000000625745 553714115 /nfs/dbraw/zinc/71/41/15/553714115.db2.gz ULNFDEUIBFLFKB-MJGOQNOKSA-N 0 1 476.754 4.860 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)nc1C ZINC000000631248 553717960 /nfs/dbraw/zinc/71/79/60/553717960.db2.gz CJNAPVLVRQQIDR-LJQANCHMSA-N 0 1 480.517 4.859 50 30 JJEAMN CCOc1ccc(N2C(=O)C[C@@H](Sc3nc(C)c(CC(=O)c4ccccc4)c(C)c3C#N)C2=O)cc1 ZINC000001009853 553899543 /nfs/dbraw/zinc/89/95/43/553899543.db2.gz KDUHQGBGWDFULZ-RUZDIDTESA-N 0 1 499.592 4.818 50 30 JJEAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000001069599 553903992 /nfs/dbraw/zinc/90/39/92/553903992.db2.gz JNRXLZPSPKIVDT-SIBVEZHUSA-N 0 1 456.498 4.987 50 30 JJEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H]2c2ccc(C)cc2)c1 ZINC000001413326 553967506 /nfs/dbraw/zinc/96/75/06/553967506.db2.gz ZISMDIQJNZDXCO-AREMUKBSSA-N 0 1 487.552 4.842 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000001446541 553973320 /nfs/dbraw/zinc/97/33/20/553973320.db2.gz FDWQRVODUBWQJV-OAQYLSRUSA-N 0 1 479.330 4.631 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000001454472 553974530 /nfs/dbraw/zinc/97/45/30/553974530.db2.gz TZLLPWMGBODRET-XMMPIXPASA-N 0 1 458.514 4.576 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000001477175 553976889 /nfs/dbraw/zinc/97/68/89/553976889.db2.gz OAEDPFGXTQOFDB-DEOSSOPVSA-N 0 1 458.514 4.576 50 30 JJEAMN N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000002269031 554125848 /nfs/dbraw/zinc/12/58/48/554125848.db2.gz KCGCZSQVEHYWGY-QFIPXVFZSA-N 0 1 489.023 4.666 50 30 JJEAMN COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N(CC(C)C)CC(C)C)cc1 ZINC000002306923 554142225 /nfs/dbraw/zinc/14/22/25/554142225.db2.gz OYJQZSKHNAXCPR-QHCPKHFHSA-N 0 1 473.621 4.723 50 30 JJEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000002863467 554389874 /nfs/dbraw/zinc/38/98/74/554389874.db2.gz XNUIQJWHESYIAP-SANMLTNESA-N 0 1 495.501 4.964 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)nc1C ZINC000006459122 554542103 /nfs/dbraw/zinc/54/21/03/554542103.db2.gz IZUBOZZUNWIGAI-KRWDZBQOSA-N 0 1 480.523 4.829 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)o1 ZINC000008739598 554641204 /nfs/dbraw/zinc/64/12/04/554641204.db2.gz KMKVBBJTXNXKAV-RUZDIDTESA-N 0 1 474.557 4.615 50 30 JJEAMN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)cc2C)C(=O)C(=O)N1Cc1cccnc1 ZINC000008741471 554644005 /nfs/dbraw/zinc/64/40/05/554644005.db2.gz MDMPVUDYBJYHQD-XMMPIXPASA-N 0 1 458.514 4.576 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccs2)nc1C ZINC000008779321 554676596 /nfs/dbraw/zinc/67/65/96/554676596.db2.gz ZRISLVBMOSUDFG-CQSZACIVSA-N 0 1 460.558 4.534 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000008827362 554717396 /nfs/dbraw/zinc/71/73/96/554717396.db2.gz NHSGQEZPGRNISL-QHCPKHFHSA-N 0 1 479.964 4.912 50 30 JJEAMN COc1cc([C@@H]2C(C(C)=O)C(Nc3ccc(Br)cc3)=C[C@@](C)(O)[C@H]2C(C)=O)ccc1O ZINC000008856836 554753004 /nfs/dbraw/zinc/75/30/04/554753004.db2.gz RFVHJIZLWILSIT-TZRRMPRUSA-N 0 1 488.378 4.562 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000008859763 554756376 /nfs/dbraw/zinc/75/63/76/554756376.db2.gz IHJVSCYQSJRIOF-VWLOTQADSA-N 0 1 487.556 4.515 50 30 JJEAMN Clc1ccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCOCC4)n3)o2)cc1 ZINC000008872058 554768121 /nfs/dbraw/zinc/76/81/21/554768121.db2.gz YTTUOCRJFFWATM-WGOQTCKBSA-N 0 1 475.940 4.811 50 30 JJEAMN O=C(NC(Cn1cncn1)=NOCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 ZINC000008873757 554770456 /nfs/dbraw/zinc/77/04/56/554770456.db2.gz ZMGJIBXNNNOLNE-UHFFFAOYSA-N 0 1 453.717 4.590 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccco2)cc1 ZINC000008893214 554781695 /nfs/dbraw/zinc/78/16/95/554781695.db2.gz ZVULZLKUTVYCPK-LJQANCHMSA-N 0 1 494.525 4.569 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008903241 554797238 /nfs/dbraw/zinc/79/72/38/554797238.db2.gz OIOITTWZRKTDAO-QHCPKHFHSA-N 0 1 479.964 4.994 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008903250 554797247 /nfs/dbraw/zinc/79/72/47/554797247.db2.gz OIOITTWZRKTDAO-HSZRJFAPSA-N 0 1 479.964 4.994 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008905072 554799331 /nfs/dbraw/zinc/79/93/31/554799331.db2.gz NCABWLQZKAENDR-IBGZPJMESA-N 0 1 465.487 4.623 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2cccs2)nc1C ZINC000008920962 554817649 /nfs/dbraw/zinc/81/76/49/554817649.db2.gz JLNZYFYUTDNNJP-GOSISDBHSA-N 0 1 498.582 4.871 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2ccccc2)nc1C ZINC000008987192 554849964 /nfs/dbraw/zinc/84/99/64/554849964.db2.gz IMVGENBYPWFOGL-HXUWFJFHSA-N 0 1 492.553 4.810 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008996868 554858323 /nfs/dbraw/zinc/85/83/23/554858323.db2.gz QPTNKXOZFAJOCA-QFIPXVFZSA-N 0 1 480.904 4.993 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000013549245 555490804 /nfs/dbraw/zinc/49/08/04/555490804.db2.gz IIBWKGOIUVKWJD-KRWDZBQOSA-N 0 1 486.933 4.966 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000013571352 555509993 /nfs/dbraw/zinc/50/99/93/555509993.db2.gz JYFOQXWJFXUPDE-IBGZPJMESA-N 0 1 469.291 4.537 50 30 JJEAMN C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000013619162 555537537 /nfs/dbraw/zinc/53/75/37/555537537.db2.gz AHVKCAGDQPGHOF-VWKPWSFCSA-N 0 1 454.983 4.804 50 30 JJEAMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(-c3ccncc3)n[nH]c2=S)cc1 ZINC000013658320 555555136 /nfs/dbraw/zinc/55/51/36/555555136.db2.gz JFHQFSYQCQJWQA-AFUMVMLFSA-N 0 1 468.502 4.646 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020029200 555604505 /nfs/dbraw/zinc/60/45/05/555604505.db2.gz BHTOGBOFJKDHMV-SANMLTNESA-N 0 1 492.616 4.508 50 30 JJEAMN CCCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020310721 555769494 /nfs/dbraw/zinc/76/94/94/555769494.db2.gz VINTUMNXZNWTGI-RUZDIDTESA-N 0 1 480.605 4.800 50 30 JJEAMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c1C#N ZINC000023053532 556002745 /nfs/dbraw/zinc/00/27/45/556002745.db2.gz HZYFYWGLIFLKQS-UHFFFAOYSA-N 0 1 474.561 4.730 50 30 JJEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000016713796 556154595 /nfs/dbraw/zinc/15/45/95/556154595.db2.gz ZOIDMWYCFNURNH-HSZRJFAPSA-N 0 1 470.997 4.823 50 30 JJEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000016713796 556154599 /nfs/dbraw/zinc/15/45/99/556154599.db2.gz ZOIDMWYCFNURNH-HSZRJFAPSA-N 0 1 470.997 4.823 50 30 JJEAMN CCC1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000017016722 556204762 /nfs/dbraw/zinc/20/47/62/556204762.db2.gz AYXDYSHKRLQVQM-DQSKBCGISA-N 0 1 464.360 4.841 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000026458938 556254496 /nfs/dbraw/zinc/25/44/96/556254496.db2.gz LALZJCSJUPVWCM-QHCPKHFHSA-N 0 1 463.461 4.771 50 30 JJEAMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000018190208 556300927 /nfs/dbraw/zinc/30/09/27/556300927.db2.gz CUWPIFQRBOJKPL-MOSHPQCFSA-N 0 1 476.602 4.701 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)ccc1O ZINC000018213336 556311583 /nfs/dbraw/zinc/31/15/83/556311583.db2.gz JCAJNHJOAJHOTC-GOSISDBHSA-N 0 1 456.907 4.684 50 30 JJEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCOC)c1 ZINC000008384123 569589244 /nfs/dbraw/zinc/58/92/44/569589244.db2.gz NRNJVJGAUKWTRA-XMMPIXPASA-N 0 1 467.562 4.879 50 30 JJEAMN CCC(CC)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000055412887 569591958 /nfs/dbraw/zinc/59/19/58/569591958.db2.gz CBLFBMXFBVFQGN-QHCPKHFHSA-N 0 1 471.605 4.539 50 30 JJEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000095346146 569722281 /nfs/dbraw/zinc/72/22/81/569722281.db2.gz PITMAVAPCBOBPD-NIYFSFCBSA-N 0 1 485.584 4.999 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000095532319 569725463 /nfs/dbraw/zinc/72/54/63/569725463.db2.gz PZCROHBLMVQSNO-NRFANRHFSA-N 0 1 486.355 4.867 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097969682 569748197 /nfs/dbraw/zinc/74/81/97/569748197.db2.gz VOVIVTABCNVSQX-HSZRJFAPSA-N 0 1 495.963 4.612 50 30 JJEAMN CCC(=O)N1CCN(c2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2)CC1 ZINC000100055938 569752002 /nfs/dbraw/zinc/75/20/02/569752002.db2.gz FQBFCDASHUQCJN-YDZHTSKRSA-N 0 1 495.215 4.726 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000100345979 569757826 /nfs/dbraw/zinc/75/78/26/569757826.db2.gz IDJFWIOPHISXSU-WCLOKENTSA-N 0 1 457.482 4.592 50 30 JJEAMN C#CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1 ZINC000036301681 569759235 /nfs/dbraw/zinc/75/92/35/569759235.db2.gz CYNRVEAXZNOEBY-QHCPKHFHSA-N 0 1 498.023 4.858 50 30 JJEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(I)cn1 ZINC000100454491 569761571 /nfs/dbraw/zinc/76/15/71/569761571.db2.gz ZHRGLVCURULQMY-FZSIALSZSA-N 0 1 481.913 4.667 50 30 JJEAMN C#CCOC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036316478 569762990 /nfs/dbraw/zinc/76/29/90/569762990.db2.gz RQPHUSOFPXXODW-QFIPXVFZSA-N 0 1 465.569 4.589 50 30 JJEAMN O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000101070007 569781137 /nfs/dbraw/zinc/78/11/37/569781137.db2.gz VRHMKGUQVDMQPC-AGGMBTAESA-N 0 1 493.313 4.979 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000101075845 569781511 /nfs/dbraw/zinc/78/15/11/569781511.db2.gz QSPMKEAZALWWNR-YDJIHCHBSA-N 0 1 479.286 4.984 50 30 JJEAMN Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)s1 ZINC000101101350 569782824 /nfs/dbraw/zinc/78/28/24/569782824.db2.gz LMUTUYOJHQLZBG-SELCWUDQSA-N 0 1 484.375 4.539 50 30 JJEAMN Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000101112489 569783242 /nfs/dbraw/zinc/78/32/42/569783242.db2.gz MOEDTTYMRIWCHO-GZTJUZNOSA-N 0 1 488.354 4.822 50 30 JJEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000101294315 569790037 /nfs/dbraw/zinc/79/00/37/569790037.db2.gz ORCPLBBAOSHBEX-UUALVTFQSA-N 0 1 497.547 4.687 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000101313848 569792366 /nfs/dbraw/zinc/79/23/66/569792366.db2.gz XDGYQKDNUYRBLO-PLWHFILJSA-N 0 1 482.536 4.592 50 30 JJEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000103990950 569839752 /nfs/dbraw/zinc/83/97/52/569839752.db2.gz QXNXFKCPYBKJRF-BFLOGMOSSA-N 0 1 469.537 4.683 50 30 JJEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104137907 569841804 /nfs/dbraw/zinc/84/18/04/569841804.db2.gz MDKNEIYBDJJWHO-JBCNATCCSA-N 0 1 464.861 4.883 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984103 569848581 /nfs/dbraw/zinc/84/85/81/569848581.db2.gz JFMXKDOJRJWUQD-WOJBJXKFSA-N 0 1 467.368 4.691 50 30 JJEAMN Cc1ccc(C)c(N=Cc2cc(I)cc(I)c2O)c1 ZINC000252591172 570084017 /nfs/dbraw/zinc/08/40/17/570084017.db2.gz AYJJMVBHAWQNFT-UHFFFAOYSA-N 0 1 477.083 4.969 50 30 JJEAMN Clc1ccccc1-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)o1 ZINC000252637998 570090073 /nfs/dbraw/zinc/09/00/73/570090073.db2.gz XYFBXYJDTUMENC-UHFFFAOYSA-N 0 1 475.940 4.811 50 30 JJEAMN CCCO[C@]1(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2C(=O)C(Cl)=C1Cl ZINC000003095699 194225355 /nfs/dbraw/zinc/22/53/55/194225355.db2.gz SVSWPILMOWWQCQ-LJQANCHMSA-N 0 1 460.766 4.783 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000006499089 194429165 /nfs/dbraw/zinc/42/91/65/194429165.db2.gz UJEXPFGMAGZJPQ-IBGZPJMESA-N 0 1 453.292 4.837 50 30 JJEAMN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1 ZINC000096279720 130024422 /nfs/dbraw/zinc/02/44/22/130024422.db2.gz NOWGYVQRGTUGCT-PEBXRYMYSA-N 0 1 498.557 4.685 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000096295620 130051216 /nfs/dbraw/zinc/05/12/16/130051216.db2.gz TUNJOQOCAIIDGQ-HSZRJFAPSA-N 0 1 477.948 4.770 50 30 JJEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102401851 130126035 /nfs/dbraw/zinc/12/60/35/130126035.db2.gz OQHPPAKWFKKYGN-NXLSWJSLSA-N 0 1 459.498 4.796 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102490209 130144566 /nfs/dbraw/zinc/14/45/66/130144566.db2.gz CCQWZQOKSDOAQM-UUALVTFQSA-N 0 1 484.596 4.866 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102492224 130146524 /nfs/dbraw/zinc/14/65/24/130146524.db2.gz SNYCTFLCDXGFOQ-NPJIAGGLSA-N 0 1 489.572 4.583 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000102507425 130161777 /nfs/dbraw/zinc/16/17/77/130161777.db2.gz SDRYREDSNAITDN-MOBKVPTQSA-N 0 1 483.927 4.586 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000102514545 130168175 /nfs/dbraw/zinc/16/81/75/130168175.db2.gz XZBDBZHRPCMKAI-ZHHPLPSFSA-N 0 1 479.964 4.756 50 30 JJEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102516661 130169931 /nfs/dbraw/zinc/16/99/31/130169931.db2.gz YQJUNFMUVIMZAQ-LFVOPCPISA-N 0 1 450.447 4.663 50 30 JJEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1 ZINC000102549972 130202766 /nfs/dbraw/zinc/20/27/66/130202766.db2.gz ZLDMUZBQAVTVBS-ONQGDUAMSA-N 0 1 491.547 4.986 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000102554147 130204960 /nfs/dbraw/zinc/20/49/60/130204960.db2.gz PMYZERAVSFFUTJ-AYWGPLOBSA-N 0 1 456.454 4.781 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000102563114 130210836 /nfs/dbraw/zinc/21/08/36/130210836.db2.gz MXTJUMZCUZDGIB-ZHHPLPSFSA-N 0 1 461.901 4.733 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccncc3)cc2)c1 ZINC000102577267 130215461 /nfs/dbraw/zinc/21/54/61/130215461.db2.gz UQWZWCGGYIUEJS-UUALVTFQSA-N 0 1 491.547 4.986 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102666661 130235068 /nfs/dbraw/zinc/23/50/68/130235068.db2.gz FLNPSZSOFKDRKE-LNMXKIQISA-N 0 1 452.919 4.746 50 30 JJEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102798728 130306958 /nfs/dbraw/zinc/30/69/58/130306958.db2.gz BHBMTMOYAPOQLM-NHFXJNLRSA-N 0 1 480.473 4.672 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102798724 130307081 /nfs/dbraw/zinc/30/70/81/130307081.db2.gz BHBMTMOYAPOQLM-YDJIHCHBSA-N 0 1 480.473 4.672 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102803061 130310692 /nfs/dbraw/zinc/31/06/92/130310692.db2.gz SFDMJTYHSHHTTO-HVESIFNPSA-N 0 1 486.908 4.657 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102860871 130331985 /nfs/dbraw/zinc/33/19/85/130331985.db2.gz VPKWHWVYWBIRJD-YDJIHCHBSA-N 0 1 492.509 4.541 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102864349 130335854 /nfs/dbraw/zinc/33/58/54/130335854.db2.gz JSPGYKQKKJDRDI-MRJHHRETSA-N 0 1 476.510 4.923 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102864372 130336047 /nfs/dbraw/zinc/33/60/47/130336047.db2.gz IWNWLZJNQHBPGC-IUKMQXEJSA-N 0 1 489.572 4.581 50 30 JJEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102868641 130341780 /nfs/dbraw/zinc/34/17/80/130341780.db2.gz QGMNYPIEFHEIOF-CJJGVWJISA-N 0 1 469.537 4.685 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102872729 130344324 /nfs/dbraw/zinc/34/43/24/130344324.db2.gz KMIBMEKGSVBNQQ-JBCNATCCSA-N 0 1 488.496 4.848 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102879042 130353363 /nfs/dbraw/zinc/35/33/63/130353363.db2.gz LOOVXXGSJPGNCJ-YDJIHCHBSA-N 0 1 479.514 4.693 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2ccccc2)nc1C ZINC000102880556 130356409 /nfs/dbraw/zinc/35/64/09/130356409.db2.gz PGOXZNROZVQXJX-YDJIHCHBSA-N 0 1 492.553 4.653 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000102887224 130368570 /nfs/dbraw/zinc/36/85/70/130368570.db2.gz ZKLVZEXZUIXKLA-CZNAVJSXSA-N 0 1 485.536 4.869 50 30 JJEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccnc3)cc2)c1 ZINC000102887233 130368617 /nfs/dbraw/zinc/36/86/17/130368617.db2.gz AVWZTPFLLKOYJW-UUALVTFQSA-N 0 1 491.547 4.986 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)s1 ZINC000102890042 130371175 /nfs/dbraw/zinc/37/11/75/130371175.db2.gz IYUYHHOHKQKFQM-ZHHPLPSFSA-N 0 1 498.564 4.755 50 30 JJEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)C(=O)C(=O)N1Cc1cccnc1 ZINC000102896814 130378679 /nfs/dbraw/zinc/37/86/79/130378679.db2.gz BRNBPGGKUWMNOT-NPJIAGGLSA-N 0 1 472.541 4.747 50 30 JJEAMN C#CCOc1c(Br)cc([C@H]2NCCc3cc(OCC)c(OCC)cc32)cc1OC ZINC000020494597 518314684 /nfs/dbraw/zinc/31/46/84/518314684.db2.gz QGWLRKFYBIJAGV-JOCHJYFZSA-N 0 1 460.368 4.502 50 30 JJEAMN CC(=NN=c1cc(C)[nH]c(NCc2ccccc2)n1)c1ccc(I)cc1 ZINC000009438781 518451242 /nfs/dbraw/zinc/45/12/42/518451242.db2.gz SJQYAOLOVGVSFL-MYYYXRDXSA-N 0 1 457.319 4.838 50 30 JJEAMN C=CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871955 518931402 /nfs/dbraw/zinc/93/14/02/518931402.db2.gz MOIGOBBSAICLMG-RBBKRZOGSA-N 0 1 463.931 4.524 50 30 JJEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Cl)c1 ZINC000016156188 518971501 /nfs/dbraw/zinc/97/15/01/518971501.db2.gz UDITWUJJQIOHSG-QHCPKHFHSA-N 0 1 478.936 4.558 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000009994531 519022347 /nfs/dbraw/zinc/02/23/47/519022347.db2.gz MZGAZXQCSMRKBT-XMMPIXPASA-N 0 1 458.489 4.872 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000016730570 519022717 /nfs/dbraw/zinc/02/27/17/519022717.db2.gz GXZMTSYBBXAQSP-RUZDIDTESA-N 0 1 454.526 4.987 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009379885 519720795 /nfs/dbraw/zinc/72/07/95/519720795.db2.gz MDUHESIWWKDLIB-JOCHJYFZSA-N 0 1 491.887 4.990 50 30 JJEAMN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009358644 520255745 /nfs/dbraw/zinc/25/57/45/520255745.db2.gz CYTZCLARTNWOLR-JOCHJYFZSA-N 0 1 466.490 4.937 50 30 JJEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000009312547 520257435 /nfs/dbraw/zinc/25/74/35/520257435.db2.gz BPYCVHIWZUJMFO-CJAUYULYSA-N 0 1 479.573 4.804 50 30 JJEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009046482 520328774 /nfs/dbraw/zinc/32/87/74/520328774.db2.gz IJHWFEKHXAFZBR-XMMPIXPASA-N 0 1 464.606 4.913 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000009281819 520330280 /nfs/dbraw/zinc/33/02/80/520330280.db2.gz KERZKICXODTYJS-RUZDIDTESA-N 0 1 488.540 4.666 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009160403 520331614 /nfs/dbraw/zinc/33/16/14/520331614.db2.gz SDJYAXXVVASPJS-VWLOTQADSA-N 0 1 488.540 4.666 50 30 JJEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009073081 520422750 /nfs/dbraw/zinc/42/27/50/520422750.db2.gz LPXHSPHMTFUMMQ-GOSISDBHSA-N 0 1 498.582 4.871 50 30 JJEAMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)cc(I)c1OC ZINC000016688312 520642517 /nfs/dbraw/zinc/64/25/17/520642517.db2.gz PULKACZPMSUMDD-VXLYETTFSA-N 0 1 453.305 4.754 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000009312660 520775300 /nfs/dbraw/zinc/77/53/00/520775300.db2.gz OXIAWAIBRABKKT-DNOBIOAJSA-N 0 1 499.563 4.935 50 30 biogenic JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)ccc1O ZINC000009327468 520782743 /nfs/dbraw/zinc/78/27/43/520782743.db2.gz JCAJNHJOAJHOTC-SFHVURJKSA-N 0 1 456.907 4.684 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009354203 520783087 /nfs/dbraw/zinc/78/30/87/520783087.db2.gz MODTUWUZOMIRRN-QLXKLKPCSA-N 0 1 485.536 4.893 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCC)cc2)cc1C ZINC000016700541 520859152 /nfs/dbraw/zinc/85/91/52/520859152.db2.gz PVZOIBVNALUVMA-RUZDIDTESA-N 0 1 480.605 4.713 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCC)cc2)cc1C ZINC000016700541 520859162 /nfs/dbraw/zinc/85/91/62/520859162.db2.gz PVZOIBVNALUVMA-RUZDIDTESA-N 0 1 480.605 4.713 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009359604 520859657 /nfs/dbraw/zinc/85/96/57/520859657.db2.gz ZFCKYRVYFCOBDX-VWLOTQADSA-N 0 1 497.588 4.806 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009461403 520876809 /nfs/dbraw/zinc/87/68/09/520876809.db2.gz ORLIFJPMFCQLGS-RUZDIDTESA-N 0 1 489.572 4.738 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000012467826 520881618 /nfs/dbraw/zinc/88/16/18/520881618.db2.gz PRSKJHGISOJUOT-VWLOTQADSA-N 0 1 471.557 4.633 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009333748 520884460 /nfs/dbraw/zinc/88/44/60/520884460.db2.gz KCWHPLFUBKOQMI-FQEVSTJZSA-N 0 1 479.514 4.850 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009042068 520885017 /nfs/dbraw/zinc/88/50/17/520885017.db2.gz QHDJXQSMCWGPBS-FQEVSTJZSA-N 0 1 479.514 4.850 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009540755 521235358 /nfs/dbraw/zinc/23/53/58/521235358.db2.gz WNFKTAIYTPKXKF-OAQYLSRUSA-N 0 1 468.893 4.827 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009472332 521266612 /nfs/dbraw/zinc/26/66/12/521266612.db2.gz GANKQODYBBVFBC-QFIPXVFZSA-N 0 1 451.450 4.605 50 30 JJEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009042941 521301778 /nfs/dbraw/zinc/30/17/78/521301778.db2.gz JSXMKQKTUJISDC-FQEVSTJZSA-N 0 1 491.481 4.979 50 30 JJEAMN CCOC(=O)[C@](NC(=O)c1ccccc1F)(Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000003103250 521349796 /nfs/dbraw/zinc/34/97/96/521349796.db2.gz RYZWQFIBLCAFJI-QGZVFWFLSA-N 0 1 452.326 4.508 50 30 JJEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000009280878 521361374 /nfs/dbraw/zinc/36/13/74/521361374.db2.gz WWGYTCTZBCFTRE-JOCHJYFZSA-N 0 1 493.947 4.635 50 30 JJEAMN COc1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc(OC)c1OC ZINC000020611205 521968964 /nfs/dbraw/zinc/96/89/64/521968964.db2.gz SOWGZLUYFLHDDA-BSVKFSKMSA-N 0 1 453.535 4.512 50 30 biogenic JJEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2Br)cc(Br)c1O ZINC000009331272 522000794 /nfs/dbraw/zinc/00/07/94/522000794.db2.gz KXRHCTZENNZCTE-UFWORHAWSA-N 0 1 484.173 4.729 50 30 JJEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009463395 522172391 /nfs/dbraw/zinc/17/23/91/522172391.db2.gz VYPADPPNPHZBAD-DWXRJYCRSA-N 0 1 497.547 4.618 50 30 JJEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009463396 522172501 /nfs/dbraw/zinc/17/25/01/522172501.db2.gz VYPADPPNPHZBAD-QYBDOPJKSA-N 0 1 497.547 4.618 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)nc1C ZINC000009160682 522419698 /nfs/dbraw/zinc/41/96/98/522419698.db2.gz AHNIQECDAJRIDH-HXUWFJFHSA-N 0 1 492.553 4.808 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000009380581 523277839 /nfs/dbraw/zinc/27/78/39/523277839.db2.gz PMAZLTRYJRHSIW-SFHVURJKSA-N 0 1 464.743 4.717 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009358251 523278612 /nfs/dbraw/zinc/27/86/12/523278612.db2.gz VRJZRFUWYCURNN-QHCPKHFHSA-N 0 1 451.563 4.916 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000009233620 523561614 /nfs/dbraw/zinc/56/16/14/523561614.db2.gz ICACSRYACSATJD-JOCHJYFZSA-N 0 1 493.357 4.940 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(O)c2)cc1 ZINC000001413532 523562109 /nfs/dbraw/zinc/56/21/09/523562109.db2.gz ZWOZHZJBBFHULO-VWLOTQADSA-N 0 1 468.509 4.703 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Cl)c2)cc1OC ZINC000009506823 523563127 /nfs/dbraw/zinc/56/31/27/523563127.db2.gz ZYZNZSNETYTUQE-QFIPXVFZSA-N 0 1 464.905 4.531 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Br)cc2)cc1OC ZINC000016737354 523565124 /nfs/dbraw/zinc/56/51/24/523565124.db2.gz PFUVHGKZKBZTLR-NRFANRHFSA-N 0 1 498.329 4.838 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000016732207 523567707 /nfs/dbraw/zinc/56/77/07/523567707.db2.gz ZAAPBULESVZAEX-LJQANCHMSA-N 0 1 466.490 4.585 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccs1 ZINC000009380615 523794928 /nfs/dbraw/zinc/79/49/28/523794928.db2.gz ZOAUSMRLCANLOB-HSZRJFAPSA-N 0 1 463.555 4.860 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000009373709 523795667 /nfs/dbraw/zinc/79/56/67/523795667.db2.gz KADOFUSYCBKCEM-CJAUYULYSA-N 0 1 479.573 4.660 50 30 JJEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1Cc1cccnc1 ZINC000009242470 524747603 /nfs/dbraw/zinc/74/76/03/524747603.db2.gz RBXJAZGWLLMODC-XMMPIXPASA-N 0 1 458.514 4.656 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000009425203 524976272 /nfs/dbraw/zinc/97/62/72/524976272.db2.gz UGTUNAMVVAXXPI-GKVSMKOHSA-N 0 1 484.508 4.739 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009359775 524977795 /nfs/dbraw/zinc/97/77/95/524977795.db2.gz XSTVRGWUVNVOOX-NPMXOYFQSA-N 0 1 460.917 4.837 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009312209 524977966 /nfs/dbraw/zinc/97/79/66/524977966.db2.gz ZXROLLMNOPGWIP-HJPURHCSSA-N 0 1 477.948 4.529 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009375141 525222444 /nfs/dbraw/zinc/22/24/44/525222444.db2.gz QKECUFQLTFHGGC-DNOBIOAJSA-N 0 1 499.563 4.848 50 30 biogenic JJEAMN COc1ccc([C@@H]2C(C(C)=O)C(Nc3ccc(Br)cc3)=C[C@](C)(O)[C@H]2C(C)=O)cc1 ZINC000015188542 525225359 /nfs/dbraw/zinc/22/53/59/525225359.db2.gz FFFRFJNTNOZHDD-SGNDLWITSA-N 0 1 472.379 4.856 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009354264 525390640 /nfs/dbraw/zinc/39/06/40/525390640.db2.gz UBXJAXKGFXRWLQ-GKVSMKOHSA-N 0 1 455.510 4.797 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009453835 525518779 /nfs/dbraw/zinc/51/87/79/525518779.db2.gz VICSGAPIDZGUFU-WINIVTDRSA-N 0 1 482.580 4.897 50 30 JJEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009424307 525791288 /nfs/dbraw/zinc/79/12/88/525791288.db2.gz MNWLMEHHJYFGNX-RUZDIDTESA-N 0 1 455.510 4.587 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009461788 526269296 /nfs/dbraw/zinc/26/92/96/526269296.db2.gz YMDYNEJUVFJJHU-LJQANCHMSA-N 0 1 453.267 4.766 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)s1 ZINC000009541641 526353880 /nfs/dbraw/zinc/35/38/80/526353880.db2.gz QZXWQDJUMKLMQD-JEOXALJRSA-N 0 1 467.934 4.606 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)s1 ZINC000009488455 526354787 /nfs/dbraw/zinc/35/47/87/526354787.db2.gz QZXWQDJUMKLMQD-WLRWDXFRSA-N 0 1 467.934 4.606 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000096321730 535697316 /nfs/dbraw/zinc/69/73/16/535697316.db2.gz MHFGCICBZXTNKZ-QFIPXVFZSA-N 0 1 483.927 4.743 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000102690448 536539841 /nfs/dbraw/zinc/53/98/41/536539841.db2.gz OWQKSAJIKWNWHZ-CZNAVJSXSA-N 0 1 487.552 4.738 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102436558 536565841 /nfs/dbraw/zinc/56/58/41/536565841.db2.gz INWQAKNQWNUENH-NXLSWJSLSA-N 0 1 473.573 4.701 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102436554 536565936 /nfs/dbraw/zinc/56/59/36/536565936.db2.gz INWQAKNQWNUENH-SBXHHDGASA-N 0 1 473.573 4.701 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102803822 536854211 /nfs/dbraw/zinc/85/42/11/536854211.db2.gz AQBKDABPQPTVNR-IUKMQXEJSA-N 0 1 473.525 4.864 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000000702730 553761725 /nfs/dbraw/zinc/76/17/25/553761725.db2.gz CXLQLYHHHBMHMZ-TZIWHRDSSA-N 0 1 486.362 4.605 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000001069601 553903981 /nfs/dbraw/zinc/90/39/81/553903981.db2.gz JNRXLZPSPKIVDT-NIYFSFCBSA-N 0 1 456.498 4.987 50 30 JJEAMN CCOC(=O)[C@@H]1C(=O)CC(=Nc2sc3c(c2C#N)CCCC3)C[C@H]1c1cccc(OC)c1 ZINC000001080034 553905102 /nfs/dbraw/zinc/90/51/02/553905102.db2.gz IYXTTZOYQDXORX-CVDCTZTESA-N 0 1 450.560 4.739 50 30 JJEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001121154 553911485 /nfs/dbraw/zinc/91/14/85/553911485.db2.gz ATKROTQXICPIEV-LJQANCHMSA-N 0 1 483.274 4.729 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001155301 553918664 /nfs/dbraw/zinc/91/86/64/553918664.db2.gz LVTSMYGDUCMPBF-LJQANCHMSA-N 0 1 496.516 4.559 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1OC ZINC000001454801 553974532 /nfs/dbraw/zinc/97/45/32/553974532.db2.gz QNPYRTKGAVKDIC-FQEVSTJZSA-N 0 1 499.317 4.546 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000001481272 553977319 /nfs/dbraw/zinc/97/73/19/553977319.db2.gz RONBJCWGBMETCC-IBGZPJMESA-N 0 1 496.516 4.559 50 30 JJEAMN CCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000002321202 554147599 /nfs/dbraw/zinc/14/75/99/554147599.db2.gz AYXDYSHKRLQVQM-SWSMGLCXSA-N 0 1 464.360 4.841 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000002480585 554225846 /nfs/dbraw/zinc/22/58/46/554225846.db2.gz NXZVBGLYTXCLMD-AREMUKBSSA-N 0 1 483.568 4.799 50 30 JJEAMN Oc1c(I)cc(Br)cc1C=NNc1cccc(Br)c1 ZINC000008400294 554575533 /nfs/dbraw/zinc/57/55/33/554575533.db2.gz KLPXEIRYTBVRSW-REZTVBANSA-N 0 1 495.940 4.968 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000008739887 554641584 /nfs/dbraw/zinc/64/15/84/554641584.db2.gz CUIMNGJIUVAMDU-QGZVFWFLSA-N 0 1 486.908 4.814 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)o1 ZINC000008740591 554642615 /nfs/dbraw/zinc/64/26/15/554642615.db2.gz KMKVBBJTXNXKAV-VWLOTQADSA-N 0 1 474.557 4.615 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008741016 554643255 /nfs/dbraw/zinc/64/32/55/554643255.db2.gz AXWFOEGJEISEGE-RUZDIDTESA-N 0 1 488.540 4.752 50 30 JJEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008744262 554647499 /nfs/dbraw/zinc/64/74/99/554647499.db2.gz UCYASEUULOEOPI-RUZDIDTESA-N 0 1 470.525 4.755 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008779316 554676569 /nfs/dbraw/zinc/67/65/69/554676569.db2.gz OBCKEPPINNOBCH-KRWDZBQOSA-N 0 1 484.530 4.778 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2OC)nc1C ZINC000008779317 554676574 /nfs/dbraw/zinc/67/65/74/554676574.db2.gz IXWYIDJVJOPHGR-GOSISDBHSA-N 0 1 496.566 4.647 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008817655 554700733 /nfs/dbraw/zinc/70/07/33/554700733.db2.gz WWJCPVMMONSPEZ-XMMPIXPASA-N 0 1 458.514 4.656 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 ZINC000008817889 554701149 /nfs/dbraw/zinc/70/11/49/554701149.db2.gz LYRRVKLFTRWFJC-AREMUKBSSA-N 0 1 470.569 4.714 50 30 JJEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 ZINC000008817889 554701150 /nfs/dbraw/zinc/70/11/50/554701150.db2.gz LYRRVKLFTRWFJC-AREMUKBSSA-N 0 1 470.569 4.714 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000008827587 554717646 /nfs/dbraw/zinc/71/76/46/554717646.db2.gz IOGJCHNNDHTODG-FQEVSTJZSA-N 0 1 483.318 4.845 50 30 JJEAMN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c(C#N)c1C ZINC000008829307 554719679 /nfs/dbraw/zinc/71/96/79/554719679.db2.gz NIAUUAXMPNTHHO-UHFFFAOYSA-N 0 1 496.401 4.928 50 30 JJEAMN C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)cc1OCC ZINC000008845444 554742614 /nfs/dbraw/zinc/74/26/14/554742614.db2.gz LFSFELTYZMPTPM-SANMLTNESA-N 0 1 477.561 4.718 50 30 JJEAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)n2)cc1 ZINC000008855996 554751876 /nfs/dbraw/zinc/75/18/76/554751876.db2.gz DHXSLPKHTXHYIZ-UHFFFAOYSA-N 0 1 460.563 4.696 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008894831 554784301 /nfs/dbraw/zinc/78/43/01/554784301.db2.gz VHZLLPANYXDCGU-QHCPKHFHSA-N 0 1 462.502 4.952 50 30 JJEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(C)cc3)oc21 ZINC000008899019 554789804 /nfs/dbraw/zinc/78/98/04/554789804.db2.gz MGVPZJBKWVGBFZ-HSZRJFAPSA-N 0 1 454.482 4.923 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000013551341 555492045 /nfs/dbraw/zinc/49/20/45/555492045.db2.gz PMHTYPLMUYYPMW-HXUWFJFHSA-N 0 1 499.317 4.546 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020029349 555604911 /nfs/dbraw/zinc/60/49/11/555604911.db2.gz NQBJNHJJIWRJNB-XMMPIXPASA-N 0 1 450.579 4.737 50 30 JJEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)ccc1OCC(C)C ZINC000020100454 555633425 /nfs/dbraw/zinc/63/34/25/555633425.db2.gz HJFLDJACWFZCEB-QHCPKHFHSA-N 0 1 470.997 4.823 50 30 JJEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)ccc1OCC(C)C ZINC000020100454 555633427 /nfs/dbraw/zinc/63/34/27/555633427.db2.gz HJFLDJACWFZCEB-QHCPKHFHSA-N 0 1 470.997 4.823 50 30 JJEAMN C(#CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)COCCOCc1ccccc1 ZINC000020229293 555719806 /nfs/dbraw/zinc/71/98/06/555719806.db2.gz GXWQKAIQEMTCAT-UHFFFAOYSA-N 0 1 454.614 4.630 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000020263464 555745896 /nfs/dbraw/zinc/74/58/96/555745896.db2.gz VAQGSFBFVXBOJR-XMMPIXPASA-N 0 1 462.590 4.689 50 30 JJEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020263783 555746192 /nfs/dbraw/zinc/74/61/92/555746192.db2.gz QRLPURCRKGTXTJ-VWLOTQADSA-N 0 1 488.584 4.641 50 30 JJEAMN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(C)cc2[O-])[C@H]1c1ccc(C)cc1 ZINC000020309951 555767755 /nfs/dbraw/zinc/76/77/55/555767755.db2.gz NJKCNCMIZKQTDM-XMMPIXPASA-N 0 1 450.579 4.628 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020310717 555769532 /nfs/dbraw/zinc/76/95/32/555769532.db2.gz VINTUMNXZNWTGI-VWLOTQADSA-N 0 1 480.605 4.800 50 30 JJEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc4cc(Br)ccc4o2)O3)CC1 ZINC000022936634 555989416 /nfs/dbraw/zinc/98/94/16/555989416.db2.gz NWOUMKFOYHCNFT-XKZIYDEJSA-N 0 1 483.362 4.655 50 30 JJEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000016713798 556155044 /nfs/dbraw/zinc/15/50/44/556155044.db2.gz ZOIDMWYCFNURNH-QHCPKHFHSA-N 0 1 470.997 4.823 50 30 JJEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000016713798 556155048 /nfs/dbraw/zinc/15/50/48/556155048.db2.gz ZOIDMWYCFNURNH-QHCPKHFHSA-N 0 1 470.997 4.823 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000016751266 556157171 /nfs/dbraw/zinc/15/71/71/556157171.db2.gz GVHABLLXNGGFCC-WINIVTDRSA-N 0 1 498.579 4.942 50 30 JJEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)ccc1OCC(C)C ZINC000016946808 556183226 /nfs/dbraw/zinc/18/32/26/556183226.db2.gz MQXUURFYGQYMCD-DEOSSOPVSA-N 0 1 457.530 4.598 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000017163413 556230183 /nfs/dbraw/zinc/23/01/83/556230183.db2.gz POBNMVSGJOVCOF-SFHVURJKSA-N 0 1 484.480 4.689 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc3ccccc32)cc1 ZINC000026841377 556264037 /nfs/dbraw/zinc/26/40/37/556264037.db2.gz QKZSGUFVVDWWGN-RUZDIDTESA-N 0 1 467.525 4.714 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)c(C)c1 ZINC000013110971 556311984 /nfs/dbraw/zinc/31/19/84/556311984.db2.gz VCQCMNGNJPRHPQ-XMMPIXPASA-N 0 1 457.530 4.742 50 30 JJEAMN CCOc1ccc(CN2CCN(c3c(CC)c(C)c(C#N)c4nc5ccccc5n43)CC2)cc1 ZINC000019809195 556380145 /nfs/dbraw/zinc/38/01/45/556380145.db2.gz AKTDJTNBHMCMIV-UHFFFAOYSA-N 0 1 453.590 4.951 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000008441465 569590376 /nfs/dbraw/zinc/59/03/76/569590376.db2.gz SGCUAWMMHUEDKY-JCNMPKRYSA-N 0 1 477.557 4.556 50 30 JJEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008469050 569591806 /nfs/dbraw/zinc/59/18/06/569591806.db2.gz KOIDLYFJLCPIQP-VWLOTQADSA-N 0 1 484.552 4.929 50 30 JJEAMN CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000055412876 569591900 /nfs/dbraw/zinc/59/19/00/569591900.db2.gz RDMAEJUYRCPCOW-QHCPKHFHSA-N 0 1 471.605 4.683 50 30 JJEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008695051 569593445 /nfs/dbraw/zinc/59/34/45/569593445.db2.gz LJNVEMBCMNTBDO-VWLOTQADSA-N 0 1 476.617 4.593 50 30 JJEAMN COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)c1 ZINC000064874044 569641455 /nfs/dbraw/zinc/64/14/55/569641455.db2.gz NYQYXLJOQXFBTA-XMMPIXPASA-N 0 1 472.545 4.811 50 30 JJEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000085945449 569716690 /nfs/dbraw/zinc/71/66/90/569716690.db2.gz FGDLCJMMXHJNTG-DEOSSOPVSA-N 0 1 459.546 4.684 50 30 JJEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000095346147 569722323 /nfs/dbraw/zinc/72/23/23/569722323.db2.gz PITMAVAPCBOBPD-AFMDSPMNSA-N 0 1 485.584 4.999 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000095483791 569725314 /nfs/dbraw/zinc/72/53/14/569725314.db2.gz UGXVSYQDRULLKI-DEOSSOPVSA-N 0 1 459.546 4.649 50 30 JJEAMN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1cccc(C)c1 ZINC000036249916 569758169 /nfs/dbraw/zinc/75/81/69/569758169.db2.gz CWKOOEZNWXFYSW-VWLOTQADSA-N 0 1 461.606 4.508 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036342063 569765222 /nfs/dbraw/zinc/76/52/22/569765222.db2.gz MHRBFSHNYXINQS-HSZRJFAPSA-N 0 1 453.558 4.886 50 30 JJEAMN Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000101072469 569781467 /nfs/dbraw/zinc/78/14/67/569781467.db2.gz STFAPHWZLXFTQU-SELCWUDQSA-N 0 1 484.375 4.539 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000101075849 569781550 /nfs/dbraw/zinc/78/15/50/569781550.db2.gz FEODSMOCPFXPPK-YDJIHCHBSA-N 0 1 479.286 4.984 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101287798 569789728 /nfs/dbraw/zinc/78/97/28/569789728.db2.gz MNWAFCIYGDAXFZ-MRJHHRETSA-N 0 1 495.329 4.937 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101313275 569792028 /nfs/dbraw/zinc/79/20/28/569792028.db2.gz RWDCZUUIMVDBLQ-JBCNATCCSA-N 0 1 495.329 4.937 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000101313887 569792398 /nfs/dbraw/zinc/79/23/98/569792398.db2.gz LEPFUPMRWSYLOH-CJJGVWJISA-N 0 1 483.520 4.645 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101313851 569792436 /nfs/dbraw/zinc/79/24/36/569792436.db2.gz KOZYQQOWBXXRPZ-XCSSDTEYSA-N 0 1 482.536 4.592 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102623408 569814664 /nfs/dbraw/zinc/81/46/64/569814664.db2.gz WWOFNHNVSKQPRB-HOGKFDNTSA-N 0 1 491.887 4.833 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102876170 569826466 /nfs/dbraw/zinc/82/64/66/569826466.db2.gz OMKKWMFWKTZHOM-NHFXJNLRSA-N 0 1 464.345 4.769 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102933482 569829014 /nfs/dbraw/zinc/82/90/14/569829014.db2.gz IUSSQSBXCJASLP-JBCNATCCSA-N 0 1 492.509 4.541 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC ZINC000104006096 569839858 /nfs/dbraw/zinc/83/98/58/569839858.db2.gz RYEZUCOQTXXEAO-NSOCNUKWSA-N 0 1 499.563 4.692 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000104008376 569839912 /nfs/dbraw/zinc/83/99/12/569839912.db2.gz FQJSNKIXTNWOIX-HUPAGYGUSA-N 0 1 493.600 4.893 50 30 JJEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245280893 570062110 /nfs/dbraw/zinc/06/21/10/570062110.db2.gz VOBLLEBQDQYVLJ-DHIUTWEWSA-N 0 1 495.595 4.563 50 30 JJEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCc3ccc4ccccc4c3)C1=O)O2 ZINC000253413881 570098312 /nfs/dbraw/zinc/09/83/12/570098312.db2.gz VXIXURKDQJMDFQ-TYZGFQJPSA-N 0 1 497.547 4.554 50 30 JJEAMN CCOC(=O)C1=NO[C@@]2(C(C)=NO)[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253531766 570103083 /nfs/dbraw/zinc/10/30/83/570103083.db2.gz NBGKJKDAKQLFLW-OBIJWCRRSA-N 0 1 486.609 4.645 50 30 JJEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cc(C)on4)[C@H]3c3cccc(OC)c3OC)oc21 ZINC000001052694 194010435 /nfs/dbraw/zinc/01/04/35/194010435.db2.gz GZEFUKWGRZALEC-NRFANRHFSA-N 0 1 490.468 4.538 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000102368777 130122649 /nfs/dbraw/zinc/12/26/49/130122649.db2.gz WGOAAUYWKXDRCH-WOOAAIBNSA-N 0 1 469.950 4.913 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000102368775 130122730 /nfs/dbraw/zinc/12/27/30/130122730.db2.gz WGOAAUYWKXDRCH-LFVOPCPISA-N 0 1 469.950 4.913 50 30 JJEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000102377723 130124839 /nfs/dbraw/zinc/12/48/39/130124839.db2.gz RJDNMABUOIBSJK-NXLSWJSLSA-N 0 1 487.512 4.707 50 30 JJEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102499282 130153607 /nfs/dbraw/zinc/15/36/07/130153607.db2.gz VVQHZMUVBHCABF-IUKMQXEJSA-N 0 1 489.572 4.581 50 30 JJEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000102512940 130166845 /nfs/dbraw/zinc/16/68/45/130166845.db2.gz IVSQCNDTPMWTQE-NXLSWJSLSA-N 0 1 459.546 4.527 50 30 JJEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000102515390 130168648 /nfs/dbraw/zinc/16/86/48/130168648.db2.gz BHRLBKLQNPBARD-GHNGSUTGSA-N 0 1 469.906 4.948 50 30 JJEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102516868 130169976 /nfs/dbraw/zinc/16/99/76/130169976.db2.gz KTOQKVFXMNJCGO-ZHHPLPSFSA-N 0 1 479.964 4.837 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102527443 130179603 /nfs/dbraw/zinc/17/96/03/130179603.db2.gz YBXPZPYYKNMYJX-LFVOPCPISA-N 0 1 494.525 4.910 50 30 JJEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102548140 130201991 /nfs/dbraw/zinc/20/19/91/130201991.db2.gz OQUXRWFKHIQTGW-IUKMQXEJSA-N 0 1 488.540 4.508 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102555608 130205407 /nfs/dbraw/zinc/20/54/07/130205407.db2.gz IEUPNFNVKXWNRZ-IUKMQXEJSA-N 0 1 488.540 4.508 50 30 JJEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102558848 130208283 /nfs/dbraw/zinc/20/82/83/130208283.db2.gz AKIOIELHENSJLE-IUKMQXEJSA-N 0 1 489.524 4.852 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000102611990 130223413 /nfs/dbraw/zinc/22/34/13/130223413.db2.gz OUPWHYWHRRZCOI-YFFBQLFZSA-N 0 1 487.512 4.780 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102641553 130228607 /nfs/dbraw/zinc/22/86/07/130228607.db2.gz OASQPLKHQBJACQ-NEMSTITPSA-N 0 1 457.501 4.814 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102662436 130234773 /nfs/dbraw/zinc/23/47/73/130234773.db2.gz WWYCQIHGVSPWJE-QPAAHAPSSA-N 0 1 497.370 4.855 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102681985 130236818 /nfs/dbraw/zinc/23/68/18/130236818.db2.gz FFHIEUJJQVUSNH-LNMXKIQISA-N 0 1 452.919 4.746 50 30 JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102694025 130240494 /nfs/dbraw/zinc/24/04/94/130240494.db2.gz UKVORGXONPFXMQ-AYWGPLOBSA-N 0 1 462.502 4.795 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102711487 130258103 /nfs/dbraw/zinc/25/81/03/130258103.db2.gz AGULBIFGWAFXKI-HVESIFNPSA-N 0 1 468.918 4.518 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1C ZINC000102714708 130260876 /nfs/dbraw/zinc/26/08/76/130260876.db2.gz CTFGNUKEYXYIHX-NHFXJNLRSA-N 0 1 483.318 4.689 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102800090 130309147 /nfs/dbraw/zinc/30/91/47/130309147.db2.gz FZRWOHGFIHHHOX-GHNGSUTGSA-N 0 1 482.945 4.908 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102803336 130310649 /nfs/dbraw/zinc/31/06/49/130310649.db2.gz VKBATUVFFKUWOS-GHNGSUTGSA-N 0 1 498.944 4.526 50 30 JJEAMN CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102804664 130312301 /nfs/dbraw/zinc/31/23/01/130312301.db2.gz KPMMADOYNQAGBA-GHNGSUTGSA-N 0 1 455.923 4.525 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102804664 130312306 /nfs/dbraw/zinc/31/23/06/130312306.db2.gz KPMMADOYNQAGBA-GHNGSUTGSA-N 0 1 455.923 4.525 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102804684 130312436 /nfs/dbraw/zinc/31/24/36/130312436.db2.gz OCNHPHKMTKLBTC-HVESIFNPSA-N 0 1 486.933 4.809 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102805246 130312987 /nfs/dbraw/zinc/31/29/87/130312987.db2.gz ZPVPGARNPSTKFF-IBOXJLQUSA-N 0 1 488.974 4.969 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102805533 130313136 /nfs/dbraw/zinc/31/31/36/130313136.db2.gz GGMNCJLOKPFUKW-HVESIFNPSA-N 0 1 455.333 4.840 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102859869 130329947 /nfs/dbraw/zinc/32/99/47/130329947.db2.gz ABPVQVZEBGJRJY-YDJIHCHBSA-N 0 1 476.510 4.841 50 30 JJEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102862149 130333927 /nfs/dbraw/zinc/33/39/27/130333927.db2.gz ZNLCJCZCLXFBBP-AMKIGSDESA-N 0 1 485.536 4.649 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(Br)c1 ZINC000102868093 130341399 /nfs/dbraw/zinc/34/13/99/130341399.db2.gz JGPUVRFWWJTINS-MRJHHRETSA-N 0 1 488.378 4.695 50 30 JJEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000102877377 130350374 /nfs/dbraw/zinc/35/03/74/130350374.db2.gz LPAZTFOVSSRQOA-ONQGDUAMSA-N 0 1 491.547 4.986 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102878412 130352647 /nfs/dbraw/zinc/35/26/47/130352647.db2.gz MHHFCYASJXAFNH-LFVOPCPISA-N 0 1 499.932 4.956 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102879040 130353255 /nfs/dbraw/zinc/35/32/55/130353255.db2.gz LOOVXXGSJPGNCJ-NHFXJNLRSA-N 0 1 479.514 4.693 50 30 JJEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000102882921 130362080 /nfs/dbraw/zinc/36/20/80/130362080.db2.gz BKCHLSYGGQTVRH-ONDFOOFZSA-N 0 1 479.573 4.647 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102882811 130362122 /nfs/dbraw/zinc/36/21/22/130362122.db2.gz ZXPYJOQKVRXDHX-LFVOPCPISA-N 0 1 450.447 4.663 50 30 JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102883057 130362703 /nfs/dbraw/zinc/36/27/03/130362703.db2.gz PIFWZVRORQEISB-JBCNATCCSA-N 0 1 487.493 4.839 50 30 JJEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102883983 130364916 /nfs/dbraw/zinc/36/49/16/130364916.db2.gz DYJDUUALCISIQM-CZNAVJSXSA-N 0 1 485.536 4.521 50 30 JJEAMN O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000102895745 130377944 /nfs/dbraw/zinc/37/79/44/130377944.db2.gz MFDIIUPDPFRGOW-CJJGVWJISA-N 0 1 477.520 4.678 50 30 JJEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)C(=O)C(=O)N1Cc1cccnc1 ZINC000102896813 130378779 /nfs/dbraw/zinc/37/87/79/130378779.db2.gz BRNBPGGKUWMNOT-IUKMQXEJSA-N 0 1 472.541 4.747 50 30 JJEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000102896606 130378855 /nfs/dbraw/zinc/37/88/55/130378855.db2.gz WZCFADFLHRZCFW-NXLSWJSLSA-N 0 1 475.928 4.776 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000102926480 130398118 /nfs/dbraw/zinc/39/81/18/130398118.db2.gz KLFDLJOKNIHHKS-OTQMSCLFSA-N 0 1 455.510 4.641 50 30 JJEAMN C#CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC ZINC000036301889 518298659 /nfs/dbraw/zinc/29/86/59/518298659.db2.gz XHNHUQATRUROHX-QHCPKHFHSA-N 0 1 498.023 4.858 50 30 JJEAMN C=CCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306016 518716844 /nfs/dbraw/zinc/71/68/44/518716844.db2.gz YGCCTOSOPDONTL-JOCHJYFZSA-N 0 1 465.594 4.664 50 30 JJEAMN C=CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871954 518920604 /nfs/dbraw/zinc/92/06/04/518920604.db2.gz MOIGOBBSAICLMG-IFMALSPDSA-N 0 1 463.931 4.524 50 30 JJEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C ZINC000016193363 518970968 /nfs/dbraw/zinc/97/09/68/518970968.db2.gz KPNJCWOYRDPPRZ-DEOSSOPVSA-N 0 1 456.546 4.822 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000006144024 518978978 /nfs/dbraw/zinc/97/89/78/518978978.db2.gz OWICAQQSQXANNF-IBGZPJMESA-N 0 1 496.491 4.855 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)nc1C ZINC000006144035 518979389 /nfs/dbraw/zinc/97/93/89/518979389.db2.gz VTUSKBZXCYTRSY-LJQANCHMSA-N 0 1 478.501 4.716 50 30 JJEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036304561 518982783 /nfs/dbraw/zinc/98/27/83/518982783.db2.gz UITKBEOPXAIZRU-QHCPKHFHSA-N 0 1 465.594 4.757 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036306838 518986495 /nfs/dbraw/zinc/98/64/95/518986495.db2.gz VOBLLEBQDQYVLJ-GOTSBHOMSA-N 0 1 495.595 4.563 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000009994516 519021964 /nfs/dbraw/zinc/02/19/64/519021964.db2.gz BQOSDPNSDBTPCR-VWLOTQADSA-N 0 1 470.525 4.742 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000016732239 519023746 /nfs/dbraw/zinc/02/37/46/519023746.db2.gz IJUUZFFHGCKNOJ-RUZDIDTESA-N 0 1 454.526 4.987 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009461123 519047239 /nfs/dbraw/zinc/04/72/39/519047239.db2.gz DBVRHNVOAAXURH-QHCPKHFHSA-N 0 1 477.948 4.770 50 30 JJEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009350458 519060666 /nfs/dbraw/zinc/06/06/66/519060666.db2.gz CGJVIUKPOVSPJA-WXTAPIANSA-N 0 1 482.536 4.748 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009403609 519063053 /nfs/dbraw/zinc/06/30/53/519063053.db2.gz NXNKWYHKCZYFGX-GKVSMKOHSA-N 0 1 471.509 4.946 50 30 JJEAMN C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cn(C)nc2C)CC1 ZINC000012327164 519243068 /nfs/dbraw/zinc/24/30/68/519243068.db2.gz NCSRXWZGLWMYGO-UHFFFAOYSA-N 0 1 457.047 4.831 50 30 JJEAMN CC(=O)N1c2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2C[C@@H]1C ZINC000015961098 519638930 /nfs/dbraw/zinc/63/89/30/519638930.db2.gz USQYVFMSGAJDOH-LUKZVCJISA-N 0 1 452.146 4.965 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000009272996 519720747 /nfs/dbraw/zinc/72/07/47/519720747.db2.gz DCMUZGKCDJJKJH-JOCHJYFZSA-N 0 1 491.887 4.990 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009329049 519761951 /nfs/dbraw/zinc/76/19/51/519761951.db2.gz JRPQYMDFRHTTBM-QFIPXVFZSA-N 0 1 456.970 4.515 50 30 JJEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009329049 519761952 /nfs/dbraw/zinc/76/19/52/519761952.db2.gz JRPQYMDFRHTTBM-QFIPXVFZSA-N 0 1 456.970 4.515 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009460760 519778540 /nfs/dbraw/zinc/77/85/40/519778540.db2.gz WSKIAMAXQNXAGW-NRFANRHFSA-N 0 1 477.388 4.921 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009460760 519778541 /nfs/dbraw/zinc/77/85/41/519778541.db2.gz WSKIAMAXQNXAGW-NRFANRHFSA-N 0 1 477.388 4.921 50 30 JJEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009273447 520469851 /nfs/dbraw/zinc/46/98/51/520469851.db2.gz HYAGZLUQSRGZFQ-DEOSSOPVSA-N 0 1 458.514 4.658 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000016731434 520781433 /nfs/dbraw/zinc/78/14/33/520781433.db2.gz OTKOEJVBHPGOPO-QFIPXVFZSA-N 0 1 451.450 4.610 50 30 JJEAMN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000009373722 520783955 /nfs/dbraw/zinc/78/39/55/520783955.db2.gz OXIAWAIBRABKKT-MYUZEXMDSA-N 0 1 499.563 4.935 50 30 biogenic JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009072872 520858906 /nfs/dbraw/zinc/85/89/06/520858906.db2.gz GAAUDFBBERMASQ-XMMPIXPASA-N 0 1 483.561 4.503 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCOC)cc1OC ZINC000009380511 521239693 /nfs/dbraw/zinc/23/96/93/521239693.db2.gz KGCITHZVQKXDRW-RUZDIDTESA-N 0 1 497.588 4.662 50 30 JJEAMN CCOC(=O)c1c(N)n(-c2ccccc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)C(=N)O2 ZINC000009441388 521407144 /nfs/dbraw/zinc/40/71/44/521407144.db2.gz AIJUYGIGGBWQQW-IRXDYDNUSA-N 0 1 479.334 4.640 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(F)c2)nc1C ZINC000016730510 522420162 /nfs/dbraw/zinc/42/01/62/522420162.db2.gz MEPDOWFEXXRAAA-GOSISDBHSA-N 0 1 484.480 4.608 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000009313047 522954512 /nfs/dbraw/zinc/95/45/12/522954512.db2.gz NLMXJSSXCHRBKO-QLXKLKPCSA-N 0 1 485.536 4.545 50 30 biogenic JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000009271834 523562302 /nfs/dbraw/zinc/56/23/02/523562302.db2.gz KVOXYABNNIEJRH-JOCHJYFZSA-N 0 1 493.357 4.940 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000016805198 523562975 /nfs/dbraw/zinc/56/29/75/523562975.db2.gz QZMRWZQBDFASHA-OAQYLSRUSA-N 0 1 452.869 4.661 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009272879 523564655 /nfs/dbraw/zinc/56/46/55/523564655.db2.gz JPTUOLUZNVMCJW-HXUWFJFHSA-N 0 1 468.303 4.829 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000016737070 523565229 /nfs/dbraw/zinc/56/52/29/523565229.db2.gz AACYEBPGWFYKGP-OAQYLSRUSA-N 0 1 453.878 4.729 50 30 JJEAMN COc1ccc(C(=O)CSc2nc3n(n2)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000020850805 523592222 /nfs/dbraw/zinc/59/22/22/523592222.db2.gz DTHBWAPNFUGIRI-NRFANRHFSA-N 0 1 480.615 4.981 50 30 JJEAMN CN(/N=C/c1cc(Br)cc(Br)c1O)c1cccc(C(F)(F)F)n1 ZINC000020615390 523769790 /nfs/dbraw/zinc/76/97/90/523769790.db2.gz MBJJUARRKREUHY-IFRROFPPSA-N 0 1 453.056 4.801 50 30 JJEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016731011 523793917 /nfs/dbraw/zinc/79/39/17/523793917.db2.gz MPEOYRADKNDCHY-RUZDIDTESA-N 0 1 491.515 4.638 50 30 JJEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000009360194 524021233 /nfs/dbraw/zinc/02/12/33/524021233.db2.gz JBTPRLISMHXIBH-DEOSSOPVSA-N 0 1 487.556 4.715 50 30 JJEAMN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009312987 524110915 /nfs/dbraw/zinc/11/09/15/524110915.db2.gz KXXAUTXXRHBAEC-WXTAPIANSA-N 0 1 469.537 4.840 50 30 biogenic JJEAMN C[C@@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc(Br)cc4c2OCOC4)O3)C1 ZINC000020647984 524229860 /nfs/dbraw/zinc/22/98/60/524229860.db2.gz NFHBZUFCQQQRSL-FGJCKKKHSA-N 0 1 486.362 4.869 50 30 JJEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(C)s4)[C@@H]3c3ccc(F)cc3)oc21 ZINC000009662828 524258199 /nfs/dbraw/zinc/25/81/99/524258199.db2.gz MOYSEVHTCTWWDH-GOSISDBHSA-N 0 1 465.462 4.523 50 30 JJEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009356558 524910338 /nfs/dbraw/zinc/91/03/38/524910338.db2.gz MUIFVJZPVRNXJT-VWLOTQADSA-N 0 1 488.540 4.665 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009436471 524976040 /nfs/dbraw/zinc/97/60/40/524976040.db2.gz SFWGUKDYFLPPPV-HJPURHCSSA-N 0 1 477.948 4.529 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009313273 524977010 /nfs/dbraw/zinc/97/70/10/524977010.db2.gz YLGFCMJGGRHKHT-QYBDOPJKSA-N 0 1 468.553 4.855 50 30 JJEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000009311932 524977499 /nfs/dbraw/zinc/97/74/99/524977499.db2.gz ZYMDKEKLBJQZDW-GKVSMKOHSA-N 0 1 457.501 4.970 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000009242412 525050988 /nfs/dbraw/zinc/05/09/88/525050988.db2.gz MOYMDLXDJIRFPM-IBGZPJMESA-N 0 1 453.292 4.837 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009374385 525222028 /nfs/dbraw/zinc/22/20/28/525222028.db2.gz GGHSFUMKHOQUKC-RUZDIDTESA-N 0 1 488.540 4.665 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009436486 525515592 /nfs/dbraw/zinc/51/55/92/525515592.db2.gz SFWGUKDYFLPPPV-WAIKUNEKSA-N 0 1 477.948 4.529 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009424612 525517109 /nfs/dbraw/zinc/51/71/09/525517109.db2.gz SXWZOGJVSVTMGH-CMJOXMDJSA-N 0 1 460.917 4.837 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000009354500 525517935 /nfs/dbraw/zinc/51/79/35/525517935.db2.gz JWCVHVQKQCDWPP-NSYGIPOTSA-N 0 1 455.510 4.537 50 30 JJEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000009311931 525518327 /nfs/dbraw/zinc/51/83/27/525518327.db2.gz ZYMDKEKLBJQZDW-NSYGIPOTSA-N 0 1 457.501 4.970 50 30 JJEAMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)c1C#N ZINC000016683384 525686027 /nfs/dbraw/zinc/68/60/27/525686027.db2.gz HEDAKXIQJMALDP-UHFFFAOYSA-N 0 1 460.538 4.680 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009424308 525984390 /nfs/dbraw/zinc/98/43/90/525984390.db2.gz MNWLMEHHJYFGNX-VWLOTQADSA-N 0 1 455.510 4.587 50 30 JJEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000009070782 526030379 /nfs/dbraw/zinc/03/03/79/526030379.db2.gz VYAZCNPOQPOTSX-KRWDZBQOSA-N 0 1 455.333 4.997 50 30 JJEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)ccc1OCC(C)C ZINC000009271844 526199054 /nfs/dbraw/zinc/19/90/54/526199054.db2.gz PTMSQMXUXHAFOS-DEOSSOPVSA-N 0 1 457.530 4.598 50 30 JJEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000009464366 526199528 /nfs/dbraw/zinc/19/95/28/526199528.db2.gz JUURJCOJAOGUIV-XMMPIXPASA-N 0 1 487.512 4.864 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000016741261 526269161 /nfs/dbraw/zinc/26/91/61/526269161.db2.gz NHMAEXWCOXFUBN-OAQYLSRUSA-N 0 1 496.313 4.592 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009380538 526269350 /nfs/dbraw/zinc/26/93/50/526269350.db2.gz AIPIYZZXGIEOCU-LJQANCHMSA-N 0 1 480.274 4.535 50 30 JJEAMN O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000009359592 526269522 /nfs/dbraw/zinc/26/95/22/526269522.db2.gz DNPMLHWGTHUBLR-AREMUKBSSA-N 0 1 477.520 4.834 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009008812 526269586 /nfs/dbraw/zinc/26/95/86/526269586.db2.gz OPMJKSBYHUTASF-IBGZPJMESA-N 0 1 480.274 4.535 50 30 JJEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)s1 ZINC000009488459 526353837 /nfs/dbraw/zinc/35/38/37/526353837.db2.gz QZXWQDJUMKLMQD-WYRIXSBYSA-N 0 1 467.934 4.606 50 30 JJEAMN N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000009348409 526491285 /nfs/dbraw/zinc/49/12/85/526491285.db2.gz KCGCZSQVEHYWGY-JOCHJYFZSA-N 0 1 489.023 4.666 50 30 JJEAMN NS(=O)(=O)c1ccc(-c2ccc(C=NN=c3nc[nH]c4scc(-c5ccccc5)c43)o2)cc1 ZINC000009292410 527306000 /nfs/dbraw/zinc/30/60/00/527306000.db2.gz XPUBWGJEFWCSLZ-KKMKTNMSSA-N 0 1 475.555 4.712 50 30 JJEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102551926 535284086 /nfs/dbraw/zinc/28/40/86/535284086.db2.gz YQNDXVLMXAGQEQ-CZNAVJSXSA-N 0 1 485.536 4.869 50 30 JJEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102864369 535417434 /nfs/dbraw/zinc/41/74/34/535417434.db2.gz IWNWLZJNQHBPGC-NPJIAGGLSA-N 0 1 489.572 4.581 50 30 JJEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000102433013 535688362 /nfs/dbraw/zinc/68/83/62/535688362.db2.gz SLAZTYNQOKKFSG-NPJIAGGLSA-N 0 1 497.588 4.592 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(O)c1 ZINC000102698071 536539743 /nfs/dbraw/zinc/53/97/43/536539743.db2.gz RQVQFRPKKZGAKM-CZNAVJSXSA-N 0 1 487.552 4.738 50 30 JJEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000102876618 536565637 /nfs/dbraw/zinc/56/56/37/536565637.db2.gz MGCUSUMIJQEGFP-MRJHHRETSA-N 0 1 486.355 4.711 50 30 JJEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000000864483 553804084 /nfs/dbraw/zinc/80/40/84/553804084.db2.gz RNSFJGIICSOUPX-FQEVSTJZSA-N 0 1 467.294 4.762 50 30 JJEAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000001069598 553904014 /nfs/dbraw/zinc/90/40/14/553904014.db2.gz JNRXLZPSPKIVDT-AFMDSPMNSA-N 0 1 456.498 4.987 50 30 JJEAMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1OC ZINC000001104761 553908387 /nfs/dbraw/zinc/90/83/87/553908387.db2.gz IVEBDGXXLGCPOJ-XMMPIXPASA-N 0 1 492.597 4.652 50 30 JJEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000001117539 553910553 /nfs/dbraw/zinc/91/05/53/553910553.db2.gz LHAGFBNQHPIVOG-HKUYNNGSSA-N 0 1 476.754 4.860 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000001154304 553917924 /nfs/dbraw/zinc/91/79/24/553917924.db2.gz PUDIBMMZZOGPAA-QHCPKHFHSA-N 0 1 479.964 4.992 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000001219297 553934209 /nfs/dbraw/zinc/93/42/09/553934209.db2.gz FEOYXEWISFIAOL-IBGZPJMESA-N 0 1 453.267 4.766 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000001219298 553934272 /nfs/dbraw/zinc/93/42/72/553934272.db2.gz FEOYXEWISFIAOL-LJQANCHMSA-N 0 1 453.267 4.766 50 30 JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000001413297 553967624 /nfs/dbraw/zinc/96/76/24/553967624.db2.gz LSSMGACONQOZBY-SANMLTNESA-N 0 1 487.552 4.842 50 30 JJEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000001477176 553976872 /nfs/dbraw/zinc/97/68/72/553976872.db2.gz OAEDPFGXTQOFDB-XMMPIXPASA-N 0 1 458.514 4.576 50 30 JJEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2cccc(OC(C)C)c2)cc(Br)c1O ZINC000002387230 554178241 /nfs/dbraw/zinc/17/82/41/554178241.db2.gz ZBGDKTLLRVJFNJ-UFFVCSGVSA-N 0 1 463.357 4.754 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000002480570 554225692 /nfs/dbraw/zinc/22/56/92/554225692.db2.gz OYOQIHGOVXZQQR-VWLOTQADSA-N 0 1 470.525 4.742 50 30 JJEAMN Cc1ccc(N(CCC#N)C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000002634199 554255301 /nfs/dbraw/zinc/25/53/01/554255301.db2.gz WMZNWRRDYBKSJM-UHFFFAOYSA-N 0 1 456.369 4.582 50 30 JJEAMN O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002779157 554341033 /nfs/dbraw/zinc/34/10/33/554341033.db2.gz LTLMVCSVDYMWKY-UHFFFAOYSA-N 0 1 462.256 4.956 50 30 JJEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)F)cc1COc1cccc(Br)c1 ZINC000002791430 554346769 /nfs/dbraw/zinc/34/67/69/554346769.db2.gz UZMMATNADODEJX-LSFURLLWSA-N 0 1 469.311 4.737 50 30 JJEAMN C=CCN1C(=O)NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000008451308 554597437 /nfs/dbraw/zinc/59/74/37/554597437.db2.gz XAANFKXGAQBWSU-ZDLGFXPLSA-N 0 1 454.313 4.644 50 30 biogenic JJEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008739417 554641216 /nfs/dbraw/zinc/64/12/16/554641216.db2.gz JVBHWWDETOEACI-KRWDZBQOSA-N 0 1 476.341 4.945 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000008741068 554643543 /nfs/dbraw/zinc/64/35/43/554643543.db2.gz IHSGSWKJPATOHN-QGZVFWFLSA-N 0 1 468.918 4.674 50 30 JJEAMN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CSc2nc(-c3cccs3)n[nH]2)c1C#N ZINC000008751834 554653702 /nfs/dbraw/zinc/65/37/02/554653702.db2.gz MXYXNIOBZHLWRA-UHFFFAOYSA-N 0 1 466.567 4.741 50 30 JJEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008779104 554675947 /nfs/dbraw/zinc/67/59/47/554675947.db2.gz ABIMLWPPUGCCKL-LJQANCHMSA-N 0 1 465.487 4.621 50 30 JJEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)nc1C ZINC000008779315 554676623 /nfs/dbraw/zinc/67/66/23/554676623.db2.gz OBCKEPPINNOBCH-QGZVFWFLSA-N 0 1 484.530 4.778 50 30 JJEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000008816952 554699216 /nfs/dbraw/zinc/69/92/16/554699216.db2.gz LARKJCMKOQHKNA-XMMPIXPASA-N 0 1 450.579 4.622 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000008816952 554699218 /nfs/dbraw/zinc/69/92/18/554699218.db2.gz LARKJCMKOQHKNA-XMMPIXPASA-N 0 1 450.579 4.622 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008817982 554701206 /nfs/dbraw/zinc/70/12/06/554701206.db2.gz VWMOKENAXXTSGV-KRWDZBQOSA-N 0 1 486.908 4.814 50 30 JJEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000008914815 554807871 /nfs/dbraw/zinc/80/78/71/554807871.db2.gz XJWUYWMVMTZLGG-INIZCTEOSA-N 0 1 459.296 4.828 50 30 JJEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008915078 554808441 /nfs/dbraw/zinc/80/84/41/554808441.db2.gz NXQKCXJYRYFASB-NRFANRHFSA-N 0 1 450.878 4.984 50 30 JJEAMN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000008918984 554816083 /nfs/dbraw/zinc/81/60/83/554816083.db2.gz GBXAWFKVINVHFZ-IBGZPJMESA-N 0 1 470.934 4.910 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009046157 554870155 /nfs/dbraw/zinc/87/01/55/554870155.db2.gz BNLFWPJGAUPAMH-LJQANCHMSA-N 0 1 496.516 4.559 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009046157 554870158 /nfs/dbraw/zinc/87/01/58/554870158.db2.gz BNLFWPJGAUPAMH-LJQANCHMSA-N 0 1 496.516 4.559 50 30 JJEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1 ZINC000009380145 555142249 /nfs/dbraw/zinc/14/22/49/555142249.db2.gz VMYQZULWINSLHZ-DEOSSOPVSA-N 0 1 457.530 4.598 50 30 JJEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000013549247 555490784 /nfs/dbraw/zinc/49/07/84/555490784.db2.gz IIBWKGOIUVKWJD-QGZVFWFLSA-N 0 1 486.933 4.966 50 30 JJEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000013569339 555507471 /nfs/dbraw/zinc/50/74/71/555507471.db2.gz GKSBEDANQVBXKN-KRWDZBQOSA-N 0 1 455.333 4.997 50 30 JJEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000019938312 555556146 /nfs/dbraw/zinc/55/61/46/555556146.db2.gz VUXHPRSPHSKLAF-VWLOTQADSA-N 0 1 476.617 4.997 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000019938312 555556148 /nfs/dbraw/zinc/55/61/48/555556148.db2.gz VUXHPRSPHSKLAF-VWLOTQADSA-N 0 1 476.617 4.997 50 30 JJEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000013719219 555595436 /nfs/dbraw/zinc/59/54/36/555595436.db2.gz ZJMRZCOGUQNPKU-IBGZPJMESA-N 0 1 457.317 4.507 50 30 JJEAMN Oc1c(Br)cc(Br)cc1CN=Nc1nnc(Cl)c2ccccc21 ZINC000013800803 555621315 /nfs/dbraw/zinc/62/13/15/555621315.db2.gz HERTXHNRYCWNOS-FBCYGCLPSA-N 0 1 456.525 4.960 50 30 JJEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000020103320 555635597 /nfs/dbraw/zinc/63/55/97/555635597.db2.gz PBIOQYWAPGXTIS-SANMLTNESA-N 0 1 488.559 4.853 50 30 JJEAMN COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000015859813 556031504 /nfs/dbraw/zinc/03/15/04/556031504.db2.gz GRVUDEJFCXAUOB-UHFFFAOYSA-N 0 1 461.330 4.767 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000016713620 556154329 /nfs/dbraw/zinc/15/43/29/556154329.db2.gz WGWPPBRQLMDBRT-AREMUKBSSA-N 0 1 487.552 4.889 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000016734376 556155696 /nfs/dbraw/zinc/15/56/96/556155696.db2.gz YISSJWFLJPGWFM-XMMPIXPASA-N 0 1 475.497 4.640 50 30 JJEAMN COc1cc([C@@H]2C(C(C)=O)C(Nc3ccc(Br)cc3)=C[C@](C)(O)[C@@H]2C(C)=O)ccc1O ZINC000017680797 556263957 /nfs/dbraw/zinc/26/39/57/556263957.db2.gz RFVHJIZLWILSIT-SMIHKQSGSA-N 0 1 488.378 4.562 50 30 JJEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000026896298 556265462 /nfs/dbraw/zinc/26/54/62/556265462.db2.gz XDMGULPJBODFHB-DEOSSOPVSA-N 0 1 475.497 4.640 50 30 JJEAMN COc1cc([C@@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000018196096 556302789 /nfs/dbraw/zinc/30/27/89/556302789.db2.gz KRCJAQRFONUZSC-JOCHJYFZSA-N 0 1 460.490 4.676 50 30 JJEAMN CCC(CC)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000055412889 569591962 /nfs/dbraw/zinc/59/19/62/569591962.db2.gz CBLFBMXFBVFQGN-HSZRJFAPSA-N 0 1 471.605 4.539 50 30 JJEAMN Cc1cc(C)cc(NC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)c1 ZINC000061899895 569609294 /nfs/dbraw/zinc/60/92/94/569609294.db2.gz CEHUSIMJNCJASZ-RUZDIDTESA-N 0 1 490.611 4.815 50 30 JJEAMN COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)c1 ZINC000064874042 569641374 /nfs/dbraw/zinc/64/13/74/569641374.db2.gz NYQYXLJOQXFBTA-DEOSSOPVSA-N 0 1 472.545 4.811 50 30 JJEAMN COc1ccc(CN(Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)cc1OC ZINC000035361957 569682324 /nfs/dbraw/zinc/68/23/24/569682324.db2.gz OIAIVSIIVUZNCT-VTTGIDTASA-N 0 1 495.616 4.826 50 30 biogenic JJEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000095483838 569725286 /nfs/dbraw/zinc/72/52/86/569725286.db2.gz SYRDDNLNXNXYJI-VWLOTQADSA-N 0 1 489.572 4.658 50 30 JJEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(CN2CCOCC2)cc1 ZINC000096006215 569731685 /nfs/dbraw/zinc/73/16/85/569731685.db2.gz HCEMXJAFFDICGG-SRZZPIQSSA-N 0 1 454.162 4.500 50 30 JJEAMN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O ZINC000096024103 569732027 /nfs/dbraw/zinc/73/20/27/569732027.db2.gz SPWCTWTYWHZQPI-JLCFBVMHSA-N 0 1 498.557 4.684 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000097953270 569747537 /nfs/dbraw/zinc/74/75/37/569747537.db2.gz BUXKLADQUAHPTJ-QHCPKHFHSA-N 0 1 477.948 4.770 50 30 JJEAMN COc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000100296626 569756906 /nfs/dbraw/zinc/75/69/06/569756906.db2.gz ZPVOXZFTTFMZHC-WBYAUDGUSA-N 0 1 475.526 4.982 50 30 JJEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000100446444 569761410 /nfs/dbraw/zinc/76/14/10/569761410.db2.gz RVCAXXMXMUMITE-LFVOPCPISA-N 0 1 453.292 4.680 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036316074 569762056 /nfs/dbraw/zinc/76/20/56/569762056.db2.gz VDOUYLSVLOAYEW-AHWVRZQESA-N 0 1 491.632 4.732 50 30 JJEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316192 569762383 /nfs/dbraw/zinc/76/23/83/569762383.db2.gz MXPHGMUMNUGZKT-NRFANRHFSA-N 0 1 451.542 4.546 50 30 JJEAMN C=CCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2F)CC1 ZINC000036340394 569763751 /nfs/dbraw/zinc/76/37/51/569763751.db2.gz AIXRJYWTRSYRBU-XMMPIXPASA-N 0 1 460.597 4.631 50 30 JJEAMN CCCCCCCCCCCCn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000100699614 569767043 /nfs/dbraw/zinc/76/70/43/569767043.db2.gz DRLAQWSSJOPAAT-NLRVBDNBSA-N 0 1 497.600 4.698 50 30 JJEAMN C#CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345816 569768217 /nfs/dbraw/zinc/76/82/17/569768217.db2.gz WKFBWIZGKBVXLM-HSZRJFAPSA-N 0 1 465.569 4.587 50 30 JJEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000101287815 569789678 /nfs/dbraw/zinc/78/96/78/569789678.db2.gz VFNHVTUZGUHSHM-AYWGPLOBSA-N 0 1 477.948 4.613 50 30 JJEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000101502676 569800946 /nfs/dbraw/zinc/80/09/46/569800946.db2.gz RVBMHYDVZTXGQJ-MOBKVPTQSA-N 0 1 491.887 4.833 50 30 JJEAMN CCCCCCCCCNC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O ZINC000101679330 569802865 /nfs/dbraw/zinc/80/28/65/569802865.db2.gz ULHZVIDUWIEMEG-ONDKDMNRSA-N 0 1 469.578 4.909 50 30 biogenic JJEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102927707 569826986 /nfs/dbraw/zinc/82/69/86/569826986.db2.gz PMQJHCHJBVUKAD-NHFXJNLRSA-N 0 1 462.483 4.533 50 30 JJEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102928402 569827157 /nfs/dbraw/zinc/82/71/57/569827157.db2.gz LKKNZHSHQOCTRJ-GHNGSUTGSA-N 0 1 498.944 4.526 50 30 JJEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(F)cc2)cc1C ZINC000103143790 569833368 /nfs/dbraw/zinc/83/33/68/569833368.db2.gz FZGFJJKDWAZRGS-AYWGPLOBSA-N 0 1 455.526 4.771 50 30 JJEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1OC ZINC000104006093 569839910 /nfs/dbraw/zinc/83/99/10/569839910.db2.gz RYEZUCOQTXXEAO-ROBPHKHBSA-N 0 1 499.563 4.692 50 30 JJEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000104226528 569843422 /nfs/dbraw/zinc/84/34/22/569843422.db2.gz PXIFRXRQNAUQPE-ZHHPLPSFSA-N 0 1 455.526 4.627 50 30 JJEAMN Cc1ccc2nc(NC(=O)C(=O)[C@H](C(=O)C=Cc3ccccc3)[C@H]3OC(=O)c4ccccc43)sc2c1 ZINC000198723548 569873856 /nfs/dbraw/zinc/87/38/56/569873856.db2.gz KFRQRZCLHLHXJP-KMAWXNSJSA-N 0 1 496.544 4.923 50 30 JJEAMN Cc1ccc2nc(NC(=O)C(=O)[C@H](C(=O)C=Cc3ccccc3)[C@@H]3OC(=O)c4ccccc43)sc2c1 ZINC000198723584 569873860 /nfs/dbraw/zinc/87/38/60/569873860.db2.gz KFRQRZCLHLHXJP-IYBPMSEYSA-N 0 1 496.544 4.923 50 30 JJEAMN C=C[C@](C)(O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H]1CCCO1 ZINC000230110694 570044888 /nfs/dbraw/zinc/04/48/88/570044888.db2.gz NUZYSQVROPZGFH-LXFBAYGMSA-N 0 1 477.605 4.900 50 30 JJEAMN C=C[C@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H]1CCCO1 ZINC000230110694 570044889 /nfs/dbraw/zinc/04/48/89/570044889.db2.gz NUZYSQVROPZGFH-LXFBAYGMSA-N 0 1 477.605 4.900 50 30 JJEAMN C=CCC[C@@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245330134 570066500 /nfs/dbraw/zinc/06/65/00/570066500.db2.gz XMAPQTDBAXUYTQ-FYYLOGMGSA-N 0 1 456.652 4.519 50 30 JJEAMN