smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NN(c2ccccc2)C(c2cc([N+](=O)[O-])cc(Br)c2[O-])N(c2ccccc2)N1 ZINC000003169483 194233605 /nfs/dbraw/zinc/23/36/05/194233605.db2.gz OOKSSMRIHACAEC-UHFFFAOYSA-N -1 0 470.283 4.218 40 10 JICBRM COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OC ZINC000059135821 195390722 /nfs/dbraw/zinc/39/07/22/195390722.db2.gz FYDUDOGCAYNHLH-XFFZJAGNSA-N -1 0 465.300 4.277 40 10 JICBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C(=O)[N-]C2=S)cc1 ZINC000059248219 195395845 /nfs/dbraw/zinc/39/58/45/195395845.db2.gz GJINCXZKNLBLRS-LFIBNONCSA-N -1 0 474.380 4.036 40 10 JICBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNC(=O)Nc2ccc(F)cc2)C1=O ZINC000016282409 526166623 /nfs/dbraw/zinc/16/66/23/526166623.db2.gz DVOUFIZBMNLCOC-ZROIWOOFSA-N -1 0 461.247 4.025 40 10 JICBRM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000009259573 527048775 /nfs/dbraw/zinc/04/87/75/527048775.db2.gz OCXBGHNELHAQDE-HMAPJEAMSA-N -1 0 472.501 4.392 40 10 JICBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCC ZINC000009260071 555034502 /nfs/dbraw/zinc/03/45/02/555034502.db2.gz HPYZIPUNYWWIEG-GDNBJRDFSA-N -1 0 465.344 4.041 40 10 JICBRM CCOc1cc(OCC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000009295814 555072096 /nfs/dbraw/zinc/07/20/96/555072096.db2.gz RCGIXOKDHBTGFA-MHWRWJLKSA-N -1 0 489.391 4.386 40 10 JICBRM CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000009310548 555086499 /nfs/dbraw/zinc/08/64/99/555086499.db2.gz OYAIMBIPOXVVHS-YBFXNURJSA-N -1 0 470.572 4.113 40 10 JICBRM COC(=O)c1cc(N=C(C)c2c(-c3ccccc3)[n-]n(-c3ccc(OC)cc3)c2=O)cc(C(=O)OC)c1 ZINC000020288357 555757517 /nfs/dbraw/zinc/75/75/17/555757517.db2.gz BGTICWXFUJHJFY-ULJHMMPZSA-N -1 0 499.523 4.405 40 10 JICBRM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000015013387 555855089 /nfs/dbraw/zinc/85/50/89/555855089.db2.gz DZDZQAMKAQDRPD-WQLSENKSSA-N -1 0 465.756 4.251 40 10 JICBRM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000012123100 555909635 /nfs/dbraw/zinc/90/96/35/555909635.db2.gz HPKWTVYETMGINS-ZOLQOIITSA-N -1 0 458.970 4.125 40 10 JICBRM COc1cc(C=C2SC(Nc3ccccc3Br)=NC2=O)ccc1OCC(=O)[O-] ZINC000016915523 556180141 /nfs/dbraw/zinc/18/01/41/556180141.db2.gz IGKMJABKRITXAZ-CXUHLZMHSA-N -1 0 463.309 4.004 40 10 JICBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000033647922 569629572 /nfs/dbraw/zinc/62/95/72/569629572.db2.gz OJYOUGDWNFUOTA-UDWIEESQSA-N -1 0 479.876 4.297 40 10 JICBRM COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1C ZINC000033871431 569636693 /nfs/dbraw/zinc/63/66/93/569636693.db2.gz IVSTWMMZTRGVHD-MOSHPQCFSA-N -1 0 491.931 4.136 40 10 JICBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)c1 ZINC000106758083 569855619 /nfs/dbraw/zinc/85/56/19/569855619.db2.gz AMJIRRPWJOBXBA-WQRHYEAKSA-N -1 0 474.922 4.347 40 10 JICBRM COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)[O-])ccc2C)c1C ZINC000223016093 569896890 /nfs/dbraw/zinc/89/68/90/569896890.db2.gz JSWILOICAWLZCT-DHIUTWEWSA-N -1 0 464.591 4.115 40 10 JICBRM COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000223056620 569897981 /nfs/dbraw/zinc/89/79/81/569897981.db2.gz DEZLUYVRDUOBJY-XZOQPEGZSA-N -1 0 464.591 4.196 40 10 JICBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408600538 569968530 /nfs/dbraw/zinc/96/85/30/569968530.db2.gz CSPCUVDBZMEREC-YBEGLDIGSA-N -1 0 482.792 4.083 40 10 JICBRM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C ZINC000408606196 569971145 /nfs/dbraw/zinc/97/11/45/569971145.db2.gz OCLNUNHBZIOVFN-UHFFFAOYSA-N -1 0 486.977 4.056 40 10 JICBRM COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(N4CCCC4)cc3)C(=O)[O-])n[nH]2)c1 ZINC000408635272 569985637 /nfs/dbraw/zinc/98/56/37/569985637.db2.gz ZSMHOIPBYDMCQW-RGVLZGJSSA-N -1 0 452.536 4.307 40 10 JICBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000408742634 570032724 /nfs/dbraw/zinc/03/27/24/570032724.db2.gz XCFVUNPGKBFHDB-XKZIYDEJSA-N -1 0 490.541 4.232 40 10 JICBRM COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCc4ccccc4)c3)C(=O)[N-]C2=S)cc1 ZINC000408757919 570036107 /nfs/dbraw/zinc/03/61/07/570036107.db2.gz DTIBNYQTYBEQSD-STZFKDTASA-N -1 0 474.538 4.114 40 10 JICBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)c(C)c1 ZINC000408769390 570038519 /nfs/dbraw/zinc/03/85/19/570038519.db2.gz SSKNLFGODCHXRX-XDHOZWIPSA-N -1 0 464.861 4.361 40 10 JICBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408771132 570038894 /nfs/dbraw/zinc/03/88/94/570038894.db2.gz CUEYAXFCEGZGAW-CXUHLZMHSA-N -1 0 473.323 4.140 40 10 JICBRM CCc1ccccc1N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)[N-]C1=S ZINC000408781337 570041700 /nfs/dbraw/zinc/04/17/00/570041700.db2.gz CJEBHCPMJQVFFX-CPNJWEJPSA-N -1 0 474.498 4.176 40 10 JICBRM CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)[N-]C(=S)N(c4ccc(OC)cc4)C3=O)c2c1 ZINC000408782071 570041838 /nfs/dbraw/zinc/04/18/38/570041838.db2.gz GYUUQMGVGDFDGO-PXLXIMEGSA-N -1 0 476.554 4.477 40 10 JICBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408784523 570042599 /nfs/dbraw/zinc/04/25/99/570042599.db2.gz UDEQXQTUKGPPSO-YZSQISJMSA-N -1 0 498.583 4.214 40 10 JICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408800303 570045298 /nfs/dbraw/zinc/04/52/98/570045298.db2.gz LTDUHVBPMFPHTC-LPYMAVHISA-N -1 0 487.468 4.157 40 10 JICBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408800488 570045352 /nfs/dbraw/zinc/04/53/52/570045352.db2.gz MWMJDRMLEGEVFD-KGENOOAVSA-N -1 0 471.469 4.457 40 10 JICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408804881 570047057 /nfs/dbraw/zinc/04/70/57/570047057.db2.gz BYDZTOZYYHZGGK-LPYMAVHISA-N -1 0 460.461 4.388 40 10 JICBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408807614 570048165 /nfs/dbraw/zinc/04/81/65/570048165.db2.gz DMNUUNJIGGLBEQ-XDHOZWIPSA-N -1 0 477.860 4.494 40 10 JICBRM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408809538 570048605 /nfs/dbraw/zinc/04/86/05/570048605.db2.gz OGODTVSRQQEYSL-UDWIEESQSA-N -1 0 466.852 4.430 40 10 JICBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1C ZINC000408819023 570051403 /nfs/dbraw/zinc/05/14/03/570051403.db2.gz ZOKMYYXGJMMYMJ-HYARGMPZSA-N -1 0 471.469 4.457 40 10 JICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OC(C)C ZINC000408823048 570052229 /nfs/dbraw/zinc/05/22/29/570052229.db2.gz CEYGYKXCEQFQGL-OQLLNIDSSA-N -1 0 488.924 4.210 40 10 JICBRM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000408844534 570054240 /nfs/dbraw/zinc/05/42/40/570054240.db2.gz JZAQAUSQJYLHPD-CIAFOILYSA-N -1 0 488.500 4.294 40 10 JICBRM CCn1c2ccccc2c2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)ccc21 ZINC000408854458 570056167 /nfs/dbraw/zinc/05/61/67/570056167.db2.gz GECNDOOEISRPIP-XDHOZWIPSA-N -1 0 453.454 4.210 40 10 JICBRM CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000408866451 570058204 /nfs/dbraw/zinc/05/82/04/570058204.db2.gz GTUCUVQPHGNBGH-OQLLNIDSSA-N -1 0 463.715 4.476 40 10 JICBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c(OC(C)C)c(OC)c2)C1=O ZINC000408867562 570058500 /nfs/dbraw/zinc/05/85/00/570058500.db2.gz LJECBOIUIUHKSE-YBEGLDIGSA-N -1 0 487.350 4.474 40 10 JICBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)cc1 ZINC000408872130 570059975 /nfs/dbraw/zinc/05/99/75/570059975.db2.gz KZKROHCMNYZPDC-LFVJCYFKSA-N -1 0 468.509 4.347 40 10 JICBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1OC(C)C ZINC000408881280 570063011 /nfs/dbraw/zinc/06/30/11/570063011.db2.gz ITLGDLFHXFLKMB-DHDCSXOGSA-N -1 0 475.364 4.076 40 10 JICBRM Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408885843 570064591 /nfs/dbraw/zinc/06/45/91/570064591.db2.gz FUWQNDSFWAEQDU-RCCKNPSSSA-N -1 0 490.537 4.046 40 10 JICBRM Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408893208 570066211 /nfs/dbraw/zinc/06/62/11/570066211.db2.gz DALJJEYHWDOURW-NBVRZTHBSA-N -1 0 496.928 4.083 40 10 JICBRM O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(O)c(Br)c1 ZINC000408938323 570082056 /nfs/dbraw/zinc/08/20/56/570082056.db2.gz QCWSRVDNKOHHQZ-YHYXMXQVSA-N -1 0 489.631 4.493 40 10 JICBRM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000408940955 570082591 /nfs/dbraw/zinc/08/25/91/570082591.db2.gz VVTBKXKQDGROQH-FYJGNVAPSA-N -1 0 477.860 4.494 40 10 JICBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408942244 570082761 /nfs/dbraw/zinc/08/27/61/570082761.db2.gz YMVRFDLYIHFIMY-BKUYFWCQSA-N -1 0 477.860 4.494 40 10 JICBRM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000408956893 570085050 /nfs/dbraw/zinc/08/50/50/570085050.db2.gz ZEVGBKVURDWTIC-YBFXNURJSA-N -1 0 476.872 4.314 40 10 JICBRM Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408961322 570086017 /nfs/dbraw/zinc/08/60/17/570086017.db2.gz RNCYOVYNFZSKBL-CPNJWEJPSA-N -1 0 468.351 4.333 40 10 JICBRM CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)c1C ZINC000408964718 570087070 /nfs/dbraw/zinc/08/70/70/570087070.db2.gz DFILTWDOXRQZKE-PXLXIMEGSA-N -1 0 459.571 4.496 40 10 JICBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)c2C)c1 ZINC000408968789 570088349 /nfs/dbraw/zinc/08/83/49/570088349.db2.gz ZDLASLRUKSSHQZ-PXLXIMEGSA-N -1 0 487.581 4.411 40 10 JICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)OC)c4C)o3)C2=O)cc1 ZINC000408981356 570090921 /nfs/dbraw/zinc/09/09/21/570090921.db2.gz AOPFIMMKJXLXMH-STZFKDTASA-N -1 0 458.470 4.270 40 10 JICBRM CCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408983331 570091416 /nfs/dbraw/zinc/09/14/16/570091416.db2.gz LJZQTEKYTLJTTJ-AUWJEWJLSA-N -1 0 493.741 4.485 40 10 JICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)C2=O)cc1 ZINC000408984943 570092015 /nfs/dbraw/zinc/09/20/15/570092015.db2.gz UOBZIVCQOXOYGP-HAHDFKILSA-N -1 0 485.540 4.418 40 10 JICBRM COc1cc(OC)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408986040 570092404 /nfs/dbraw/zinc/09/24/04/570092404.db2.gz LJBSZTVTRFQKSQ-MLPAPPSSSA-N -1 0 479.714 4.095 40 10 JICBRM Cc1nnc(Sc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4)C3=O)cc2[N+](=O)[O-])s1 ZINC000408987435 570092825 /nfs/dbraw/zinc/09/28/25/570092825.db2.gz BAHJLPBBKBLFJR-OQLLNIDSSA-N -1 0 497.583 4.046 40 10 JICBRM Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)[N-]C1=S ZINC000409011801 570099766 /nfs/dbraw/zinc/09/97/66/570099766.db2.gz IQGKGWJLIABHAJ-QGOAFFKASA-N -1 0 466.360 4.380 40 10 JICBRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000409048644 570109352 /nfs/dbraw/zinc/10/93/52/570109352.db2.gz UALAKTRYLCJDMA-KGENOOAVSA-N -1 0 489.915 4.332 40 10 JICBRM COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000409070406 570118071 /nfs/dbraw/zinc/11/80/71/570118071.db2.gz GDJQWFGDLBFSOV-BKUYFWCQSA-N -1 0 475.570 4.251 40 10 JICBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccccc2)C1=O ZINC000409073373 570119072 /nfs/dbraw/zinc/11/90/72/570119072.db2.gz HEVASYHVFRBYAR-CPNJWEJPSA-N -1 0 496.928 4.083 40 10 JICBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1 ZINC000409077970 570120741 /nfs/dbraw/zinc/12/07/41/570120741.db2.gz GWLKDRJQVHFLIF-UHFFFAOYSA-N -1 0 490.177 4.462 40 10 JICBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OC ZINC000409103338 570129198 /nfs/dbraw/zinc/12/91/98/570129198.db2.gz YBQKVYZICJRTOJ-GHXNOFRVSA-N -1 0 495.782 4.259 40 10 JICBRM COc1ccc(C(=O)[O-])c(OCC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccccc2O)c1 ZINC000257290993 570135881 /nfs/dbraw/zinc/13/58/81/570135881.db2.gz QFDKHHUFNYASMU-UHFFFAOYSA-N -1 0 474.513 4.231 40 10 JICBRM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-][C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)s2)cc1 ZINC000260798403 570158419 /nfs/dbraw/zinc/15/84/19/570158419.db2.gz SPSOHTVUGLXCPX-ZWKOTPCHSA-N -1 0 499.662 4.375 40 10 JICBRM Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-][C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)s2)c1 ZINC000260805440 570158729 /nfs/dbraw/zinc/15/87/29/570158729.db2.gz CZSSFBLXEARASF-ZWKOTPCHSA-N -1 0 499.662 4.375 40 10 JICBRM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000409208523 570168154 /nfs/dbraw/zinc/16/81/54/570168154.db2.gz CRFUIKVERDPGPL-UDWIEESQSA-N -1 0 478.482 4.328 40 10 JICBRM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)o2)c1 ZINC000409213346 570171020 /nfs/dbraw/zinc/17/10/20/570171020.db2.gz SPBHSCQJWHPWSF-KEBDBYFISA-N -1 0 492.465 4.049 40 10 JICBRM 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Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c1 ZINC000409094017 570125862 /nfs/dbraw/zinc/12/58/62/570125862.db2.gz CKQFELQMXFKKNV-ODLFYWEKSA-N -1 0 479.876 4.138 40 10 JICBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C1=O ZINC000409104160 570129495 /nfs/dbraw/zinc/12/94/95/570129495.db2.gz FHYMQBYMRIAORC-LFIBNONCSA-N -1 0 472.314 4.163 40 10 JICBRM CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409103975 570129506 /nfs/dbraw/zinc/12/95/06/570129506.db2.gz HZLLRWIFKYYMLX-XDHOZWIPSA-N -1 0 488.543 4.248 40 10 JICBRM COc1ccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)C(=O)[N-]C2=S)c(OC)c1 ZINC000409108254 570131091 /nfs/dbraw/zinc/13/10/91/570131091.db2.gz SVDILEZQEWJWOS-XSFVSMFZSA-N -1 0 476.554 4.476 40 10 JICBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4C)C3=O)o2)cc1 ZINC000409135367 570142002 /nfs/dbraw/zinc/14/20/02/570142002.db2.gz YTYORIZTLNCFFT-CPNJWEJPSA-N -1 0 460.511 4.181 40 10 JICBRM 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O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000003865697 194365596 /nfs/dbraw/zinc/36/55/96/194365596.db2.gz QEFMHACWSYFETO-SXGWCWSVSA-N -1 0 463.924 4.184 40 10 JICBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000059104236 195387758 /nfs/dbraw/zinc/38/77/58/195387758.db2.gz WHAVTNFJXUFDAZ-QGMBQPNBSA-N -1 0 473.441 4.058 40 10 JICBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OC ZINC000059104996 195388657 /nfs/dbraw/zinc/38/86/57/195388657.db2.gz CSQVVJOSYWWHIZ-AWNIVKPZSA-N -1 0 489.278 4.092 40 10 JICBRM CN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)N(c2ccccc2)C1=O ZINC000059138937 195392273 /nfs/dbraw/zinc/39/22/73/195392273.db2.gz QDDVWUHZFOWNEC-SFQUDFHCSA-N -1 0 450.834 4.307 40 10 JICBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000014133104 555700596 /nfs/dbraw/zinc/70/05/96/555700596.db2.gz JLLPRRFAYOLBAT-XSFVSMFZSA-N -1 0 457.442 4.149 40 10 JICBRM C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 ZINC000033400562 569625789 /nfs/dbraw/zinc/62/57/89/569625789.db2.gz KPFXOWLBBZPFDV-JLPGSUDCSA-N -1 0 497.551 4.211 40 10 JICBRM O=C(Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000033645380 569629452 /nfs/dbraw/zinc/62/94/52/569629452.db2.gz MHONZOQWQPLHRE-AQTBWJFISA-N -1 0 497.385 4.294 40 10 JICBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000033702873 569631026 /nfs/dbraw/zinc/63/10/26/569631026.db2.gz ZYHKQCLDFACHHH-UYRXBGFRSA-N -1 0 493.313 4.138 40 10 JICBRM Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000034881284 569668841 /nfs/dbraw/zinc/66/88/41/569668841.db2.gz SLPJSWMXSTYJGT-UYRXBGFRSA-N -1 0 461.905 4.127 40 10 JICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccccc1F ZINC000035394078 569687288 /nfs/dbraw/zinc/68/72/88/569687288.db2.gz MIAXXHGHQJFGBA-WQRHYEAKSA-N -1 0 467.840 4.428 40 10 JICBRM 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Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409219712 570173919 /nfs/dbraw/zinc/17/39/19/570173919.db2.gz PIJBWJDAXZLUEO-DEDYPNTBSA-N -1 0 489.915 4.332 40 10 JICBRM COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O ZINC000409228334 570176572 /nfs/dbraw/zinc/17/65/72/570176572.db2.gz XKCLDGVLHDTMTH-CPNJWEJPSA-N -1 0 498.377 4.423 40 10 JICBRM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409243636 570183090 /nfs/dbraw/zinc/18/30/90/570183090.db2.gz XGHNPVTXNSEDIM-AWNIVKPZSA-N -1 0 495.782 4.259 40 10 JICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2cccc(Br)c2)C1=O ZINC000409245123 570183817 /nfs/dbraw/zinc/18/38/17/570183817.db2.gz NSLXBCBQPZPYNG-NBVRZTHBSA-N -1 0 480.318 4.305 40 10 JICBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C1=O ZINC000409246360 570184311 /nfs/dbraw/zinc/18/43/11/570184311.db2.gz BOIWPCJSPICGMQ-NBVRZTHBSA-N -1 0 480.318 4.305 40 10 JICBRM 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CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000102863217 569825215 /nfs/dbraw/zinc/82/52/15/569825215.db2.gz SCPFZMLSOGXVIX-XPWALMASSA-N -1 0 492.919 4.365 40 10 JICBRM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103919228 569839077 /nfs/dbraw/zinc/83/90/77/569839077.db2.gz FBPGSAMGFGVZBP-JCMHNJIXSA-N -1 0 465.506 4.157 40 10 JICBRM CCCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000107594878 569856627 /nfs/dbraw/zinc/85/66/27/569856627.db2.gz ATZNPCLNULLTFV-WJDWOHSUSA-N -1 0 473.323 4.303 40 10 JICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccccc1 ZINC000107596933 569856656 /nfs/dbraw/zinc/85/66/56/569856656.db2.gz GLSRAGMCIIXRBS-HMMYKYKNSA-N -1 0 470.481 4.279 40 10 JICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(Br)cc1 ZINC000108243830 569859218 /nfs/dbraw/zinc/85/92/18/569859218.db2.gz GIUZXKLTWDSHAD-UYRXBGFRSA-N -1 0 494.301 4.398 40 10 JICBRM Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000108948490 569859989 /nfs/dbraw/zinc/85/99/89/569859989.db2.gz QJMQMWMNWLMZQV-ZHZULCJRSA-N -1 0 461.905 4.127 40 10 JICBRM O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)s1)c1ccccc1Cl ZINC000223586724 569917052 /nfs/dbraw/zinc/91/70/52/569917052.db2.gz JTLGKGVGRUDWCG-UHFFFAOYSA-N -1 0 498.973 4.476 40 10 JICBRM COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000223725365 569921228 /nfs/dbraw/zinc/92/12/28/569921228.db2.gz CXJCKIHEQBEQKH-DNQXCXABSA-N -1 0 492.601 4.113 40 10 JICBRM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccccc3C(=O)c3ccccc3)s2)cc1 ZINC000224971480 569966199 /nfs/dbraw/zinc/96/61/99/569966199.db2.gz XQZJDGQEVRUSDD-UHFFFAOYSA-N -1 0 478.555 4.131 40 10 JICBRM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C ZINC000408609581 569972242 /nfs/dbraw/zinc/97/22/42/569972242.db2.gz UFMGCWYKLGJVSP-UHFFFAOYSA-N -1 0 456.951 4.430 40 10 JICBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000408692719 570015646 /nfs/dbraw/zinc/01/56/46/570015646.db2.gz SVWDVBLGLDPBPD-GDNBJRDFSA-N -1 0 474.267 4.022 40 10 JICBRM CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=C1\C(=O)[N-]C(=O)N(C2CCCC2)C1=O ZINC000408694489 570016991 /nfs/dbraw/zinc/01/69/91/570016991.db2.gz IPQJKTBOMOODPI-RCCKNPSSSA-N -1 0 476.529 4.119 40 10 JICBRM COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1Br ZINC000408739219 570031409 /nfs/dbraw/zinc/03/14/09/570031409.db2.gz ABJYEGHSCQYUKS-NTUHNPAUSA-N -1 0 494.139 4.195 40 10 JICBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC ZINC000408766812 570038114 /nfs/dbraw/zinc/03/81/14/570038114.db2.gz SFCCYIWSSIFDJN-RIYZIHGNSA-N -1 0 493.741 4.485 40 10 JICBRM COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)c1 ZINC000408775645 570040240 /nfs/dbraw/zinc/04/02/40/570040240.db2.gz JMZFMKYJNLSTAN-OEAKJJBVSA-N -1 0 471.513 4.164 40 10 JICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3O)C2=O)cc1C ZINC000408780549 570041418 /nfs/dbraw/zinc/04/14/18/570041418.db2.gz DHGIXOVHIHJBAO-VGOFMYFVSA-N -1 0 494.139 4.200 40 10 JICBRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000408785842 570043113 /nfs/dbraw/zinc/04/31/13/570043113.db2.gz IKAGQGZYRGFPNG-GZTJUZNOSA-N -1 0 451.822 4.483 40 10 JICBRM Cc1cccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408798462 570044737 /nfs/dbraw/zinc/04/47/37/570044737.db2.gz FJIBMAAIZFWGKN-FYJGNVAPSA-N -1 0 457.442 4.149 40 10 JICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c(OCc2cccc(Cl)c2)c1 ZINC000408799749 570045117 /nfs/dbraw/zinc/04/51/17/570045117.db2.gz KSCLJKFUIGIWKY-CIAFOILYSA-N -1 0 478.888 4.300 40 10 JICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408801564 570045847 /nfs/dbraw/zinc/04/58/47/570045847.db2.gz VVAYJZWFEUKFRT-FYJGNVAPSA-N -1 0 487.468 4.157 40 10 JICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408803146 570046529 /nfs/dbraw/zinc/04/65/29/570046529.db2.gz LSHVNTHNVNPYJN-OEAKJJBVSA-N -1 0 490.487 4.478 40 10 JICBRM C[C@@H](Oc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1)C(=O)[O-] ZINC000408849004 570055178 /nfs/dbraw/zinc/05/51/78/570055178.db2.gz TZOPSMYDQNTCOK-QGZVFWFLSA-N -1 0 472.522 4.287 40 10 JICBRM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1O ZINC000408851816 570055670 /nfs/dbraw/zinc/05/56/70/570055670.db2.gz ADVXHOWGJYQZCW-WEVVVXLNSA-N -1 0 457.722 4.192 40 10 JICBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 ZINC000408893386 570066428 /nfs/dbraw/zinc/06/64/28/570066428.db2.gz AAEDOXJERZTZDS-BOPFTXTBSA-N -1 0 458.898 4.203 40 10 JICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OC(C)C ZINC000408903609 570069988 /nfs/dbraw/zinc/06/99/88/570069988.db2.gz UIQOGZCBVUDOTM-OVCLIPMQSA-N -1 0 477.286 4.050 40 10 JICBRM 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Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000059336721 195397744 /nfs/dbraw/zinc/39/77/44/195397744.db2.gz CIDGINLYYIIUTQ-XKZIYDEJSA-N -1 0 458.474 4.286 40 10 JICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C2=O)cc1 ZINC000408852759 195493912 /nfs/dbraw/zinc/49/39/12/195493912.db2.gz NBEUAIJWDGVBQN-XSFVSMFZSA-N -1 0 464.319 4.469 40 10 JICBRM CCN1C(=O)c2ccc(-c3ccc(/C=C4\C(=O)N(c5ccc(C(=O)[O-])cc5)N=C4C)o3)cc2C1=O ZINC000012411906 521538326 /nfs/dbraw/zinc/53/83/26/521538326.db2.gz NTTXNJCLPKOFGL-MOSHPQCFSA-N -1 0 469.453 4.067 40 10 JICBRM O=C([O-])c1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1O ZINC000008820551 526374962 /nfs/dbraw/zinc/37/49/62/526374962.db2.gz HHZWWBRCFKNDSJ-DURWOYGOSA-N -1 0 468.556 4.267 40 10 JICBRM CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000008870202 554764759 /nfs/dbraw/zinc/76/47/59/554764759.db2.gz VLBZJOQBQGHWTQ-YDFAFUFRSA-N -1 0 480.611 4.036 40 10 JICBRM CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1C(=O)[O-] ZINC000010038289 555604317 /nfs/dbraw/zinc/60/43/17/555604317.db2.gz KTIKTVHZCKHBNX-UHFFFAOYSA-N -1 0 456.454 4.367 40 10 JICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000014132678 555700301 /nfs/dbraw/zinc/70/03/01/555700301.db2.gz RLTXLIUGVYITIT-DEDYPNTBSA-N -1 0 460.461 4.388 40 10 JICBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)c2C)c1 ZINC000014132966 555700698 /nfs/dbraw/zinc/70/06/98/555700698.db2.gz VOUGIMXFEABJTE-PXLXIMEGSA-N -1 0 471.513 4.246 40 10 JICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000059426713 569603695 /nfs/dbraw/zinc/60/36/95/569603695.db2.gz HQTPEGOXTGLQQS-XDHOZWIPSA-N -1 0 488.412 4.270 40 10 JICBRM C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000033524330 569627248 /nfs/dbraw/zinc/62/72/48/569627248.db2.gz MYOFZZMLDGCTNH-HAHDFKILSA-N -1 0 485.496 4.372 40 10 JICBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000033536764 569627574 /nfs/dbraw/zinc/62/75/74/569627574.db2.gz AINMOCRPROFEMP-NVMNQCDNSA-N -1 0 478.888 4.118 40 10 JICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccccc1 ZINC000034849037 569667170 /nfs/dbraw/zinc/66/71/70/569667170.db2.gz XABZEQSMPSXFAT-UNOMPAQXSA-N -1 0 494.301 4.398 40 10 JICBRM CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000104123746 569841299 /nfs/dbraw/zinc/84/12/99/569841299.db2.gz RLDYFVLBECEDSU-GSWFEHRJSA-N -1 0 477.955 4.277 40 10 JICBRM CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)C(=O)Nc1cccc2ccccc21 ZINC000104123876 569841355 /nfs/dbraw/zinc/84/13/55/569841355.db2.gz WXKMWAAUUMULEC-RMBMZXQHSA-N -1 0 494.558 4.172 40 10 JICBRM CC(=O)C(=NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000104124416 569841618 /nfs/dbraw/zinc/84/16/18/569841618.db2.gz TUWINWJMQMSFBQ-BDCRVHBXSA-N -1 0 465.535 4.179 40 10 JICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C2=O)cc1 ZINC000108260116 569859323 /nfs/dbraw/zinc/85/93/23/569859323.db2.gz OITJGHFJEVLYQQ-BUVRLJJBSA-N -1 0 483.524 4.296 40 10 JICBRM Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC000108982782 569860128 /nfs/dbraw/zinc/86/01/28/569860128.db2.gz CEJXIYNRDMTTTC-HAHDFKILSA-N -1 0 451.482 4.158 40 10 JICBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000214470768 569876694 /nfs/dbraw/zinc/87/66/94/569876694.db2.gz CCVTVBCLEGDHOB-FYJGNVAPSA-N -1 0 475.526 4.467 40 10 JICBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1N1C(=O)CCC1=O ZINC000223303224 569906694 /nfs/dbraw/zinc/90/66/94/569906694.db2.gz NDRGFALQNWXSCA-UHFFFAOYSA-N -1 0 498.944 4.034 40 10 JICBRM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223311487 569906993 /nfs/dbraw/zinc/90/69/93/569906993.db2.gz FDLJYHYXRKDKBA-OYDLWJJNSA-N -1 0 476.602 4.339 40 10 JICBRM COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)[O-])c2)c1C ZINC000223725168 569921227 /nfs/dbraw/zinc/92/12/27/569921227.db2.gz QFFXHRNZLBCEGH-DNQXCXABSA-N -1 0 492.601 4.113 40 10 JICBRM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408601989 569969433 /nfs/dbraw/zinc/96/94/33/569969433.db2.gz MSOJOYHSWXZFSI-GDNBJRDFSA-N -1 0 455.785 4.314 40 10 JICBRM COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C(=O)[O-])o2)c1 ZINC000408633040 569984119 /nfs/dbraw/zinc/98/41/19/569984119.db2.gz LEEHYWRWVYAJAD-KEBDBYFISA-N -1 0 498.517 4.480 40 10 JICBRM COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000408741902 570032447 /nfs/dbraw/zinc/03/24/47/570032447.db2.gz LZUDOANAGXNEMI-FYJGNVAPSA-N -1 0 493.972 4.365 40 10 JICBRM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(I)o1 ZINC000408760029 570036557 /nfs/dbraw/zinc/03/65/57/570036557.db2.gz QEWYPMOFDOIGKT-RMKNXTFCSA-N -1 0 493.109 4.022 40 10 JICBRM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)[N-]C1=S ZINC000408768834 570038570 /nfs/dbraw/zinc/03/85/70/570038570.db2.gz KAXBLBBSLSQQLL-FYJGNVAPSA-N -1 0 474.542 4.396 40 10 JICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(OC)c1OC ZINC000408775790 570040196 /nfs/dbraw/zinc/04/01/96/570040196.db2.gz SAVKHAMHYRMYFG-WUXMJOGZSA-N -1 0 484.814 4.051 40 10 JICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OC ZINC000408776696 570040389 /nfs/dbraw/zinc/04/03/89/570040389.db2.gz QFPKEAIKHRAROY-CXUHLZMHSA-N -1 0 473.323 4.140 40 10 JICBRM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000408779808 570041219 /nfs/dbraw/zinc/04/12/19/570041219.db2.gz LAUYRQZDMKTAQA-CIAFOILYSA-N -1 0 488.500 4.294 40 10 JICBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)c2C)cc1 ZINC000408781619 570041705 /nfs/dbraw/zinc/04/17/05/570041705.db2.gz CXAAEXIHJSTSHF-PXLXIMEGSA-N -1 0 487.581 4.411 40 10 JICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1F ZINC000408782067 570041875 /nfs/dbraw/zinc/04/18/75/570041875.db2.gz FRTUFZWEQMEPSE-DEDYPNTBSA-N -1 0 460.461 4.388 40 10 JICBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)c1 ZINC000408783030 570042147 /nfs/dbraw/zinc/04/21/47/570042147.db2.gz MEUZBUPWGHGHAM-OEAKJJBVSA-N -1 0 471.469 4.457 40 10 JICBRM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408801841 570045990 /nfs/dbraw/zinc/04/59/90/570045990.db2.gz CFVBAASPDIYEHM-UHFFFAOYSA-N -1 0 450.878 4.139 40 10 JICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408805953 570047476 /nfs/dbraw/zinc/04/74/76/570047476.db2.gz CYHRYPDGZAFLLO-FYJGNVAPSA-N -1 0 460.461 4.388 40 10 JICBRM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N1 ZINC000408809317 570048635 /nfs/dbraw/zinc/04/86/35/570048635.db2.gz NUUOHMWGSUOGCS-UHFFFAOYSA-N -1 0 470.106 4.084 40 10 JICBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408810417 570048931 /nfs/dbraw/zinc/04/89/31/570048931.db2.gz MEDCZTVULQFWQK-LPYMAVHISA-N -1 0 487.468 4.157 40 10 JICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408814563 570050021 /nfs/dbraw/zinc/05/00/21/570050021.db2.gz ZKEFTHZUVDQABM-UDWIEESQSA-N -1 0 478.888 4.300 40 10 JICBRM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC(C)C)ccc4ccccc43)C2=O)cc1 ZINC000408819547 570051489 /nfs/dbraw/zinc/05/14/89/570051489.db2.gz ZHJKAIDGNFRNMO-KGENOOAVSA-N -1 0 458.470 4.080 40 10 JICBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1OC ZINC000408866517 570058200 /nfs/dbraw/zinc/05/82/00/570058200.db2.gz HTQHLWSJXHSRQL-GDNBJRDFSA-N -1 0 473.323 4.085 40 10 JICBRM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408873037 570060169 /nfs/dbraw/zinc/06/01/69/570060169.db2.gz MDMWMCLPRDVZHK-PDGQHHTCSA-N -1 0 464.424 4.219 40 10 JICBRM O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)c1 ZINC000408876126 570061402 /nfs/dbraw/zinc/06/14/02/570061402.db2.gz NFQDWTNBPRXMHQ-ODLFYWEKSA-N -1 0 466.446 4.459 40 10 JICBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408880458 570062659 /nfs/dbraw/zinc/06/26/59/570062659.db2.gz HWHZFGDRONSXQV-PXLXIMEGSA-N -1 0 488.471 4.248 40 10 JICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3F)C2=O)cc1 ZINC000408887170 570064670 /nfs/dbraw/zinc/06/46/70/570064670.db2.gz OQPFWRFARSHTKW-FYJGNVAPSA-N -1 0 476.460 4.088 40 10 JICBRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2)cc1 ZINC000408887496 570064844 /nfs/dbraw/zinc/06/48/44/570064844.db2.gz RCCZKEWLWWKKPO-XMHGGMMESA-N -1 0 496.928 4.083 40 10 JICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1 ZINC000408895271 570066895 /nfs/dbraw/zinc/06/68/95/570066895.db2.gz DKHULZPAGJNYPP-DEDYPNTBSA-N -1 0 489.915 4.332 40 10 JICBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(OC(C)C)c1 ZINC000408900412 570068219 /nfs/dbraw/zinc/06/82/19/570068219.db2.gz SKNHSVBDOGHPPZ-YVLHZVERSA-N -1 0 473.323 4.220 40 10 JICBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)c1 ZINC000408901438 570068677 /nfs/dbraw/zinc/06/86/77/570068677.db2.gz YATLCUZLPJZZMP-HYARGMPZSA-N -1 0 487.487 4.126 40 10 JICBRM O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccccc1 ZINC000408901757 570068782 /nfs/dbraw/zinc/06/87/82/570068782.db2.gz ZUMPHLUAEXMYBU-XSFVSMFZSA-N -1 0 475.888 4.024 40 10 JICBRM CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408903723 570070167 /nfs/dbraw/zinc/07/01/67/570070167.db2.gz XMWYZTLFEJMFKW-RIYZIHGNSA-N -1 0 479.714 4.176 40 10 JICBRM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)o1 ZINC000408916271 570075482 /nfs/dbraw/zinc/07/54/82/570075482.db2.gz ATIFTMBMINPSFC-WQRHYEAKSA-N -1 0 451.435 4.134 40 10 JICBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1F ZINC000408916867 570075657 /nfs/dbraw/zinc/07/56/57/570075657.db2.gz HPBURFBYPSLOFZ-UNOMPAQXSA-N -1 0 480.492 4.384 40 10 JICBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 ZINC000408932135 570080318 /nfs/dbraw/zinc/08/03/18/570080318.db2.gz UMTRXJHKJCWKPD-LDADJPATSA-N -1 0 485.418 4.180 40 10 JICBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(Br)o1 ZINC000408951197 570084111 /nfs/dbraw/zinc/08/41/11/570084111.db2.gz ICXFFQFQBSSRSN-BJMVGYQFSA-N -1 0 490.560 4.289 40 10 JICBRM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000408963971 570086889 /nfs/dbraw/zinc/08/68/89/570086889.db2.gz DYRLWCNEOXOLJT-LDADJPATSA-N -1 0 454.255 4.045 40 10 JICBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 ZINC000408966350 570087552 /nfs/dbraw/zinc/08/75/52/570087552.db2.gz LZDXDPZPIJKIOU-LFIBNONCSA-N -1 0 484.892 4.357 40 10 JICBRM 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Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409238683 570180857 /nfs/dbraw/zinc/18/08/57/570180857.db2.gz LOFTVKOBBCXZDJ-YBFXNURJSA-N -1 0 479.334 4.226 40 10 JICBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409240220 570181595 /nfs/dbraw/zinc/18/15/95/570181595.db2.gz PBLBTDYHTAXGHJ-SFQUDFHCSA-N -1 0 450.838 4.014 40 10 JICBRM COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c1C ZINC000409244605 570183624 /nfs/dbraw/zinc/18/36/24/570183624.db2.gz GBYDOGNTAKDRAE-QGOAFFKASA-N -1 0 493.972 4.365 40 10 JICBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccccn1 ZINC000409244718 570183633 /nfs/dbraw/zinc/18/36/33/570183633.db2.gz HUZDTEVOMYAAKW-MHWRWJLKSA-N -1 0 455.301 4.462 40 10 JICBRM Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 ZINC000409247419 570184782 /nfs/dbraw/zinc/18/47/82/570184782.db2.gz CBIYBUFMLQWKGF-KGENOOAVSA-N -1 0 487.487 4.126 40 10 JICBRM 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O=C(N/C=C1\C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O)Nc1cccc(Cl)c1Cl ZINC000408534815 570189635 /nfs/dbraw/zinc/18/96/35/570189635.db2.gz RIHUFIYAHXEZFP-SDNWHVSQSA-N -1 0 469.284 4.435 40 10 JICBRM CCCNC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408535342 570189950 /nfs/dbraw/zinc/18/99/50/570189950.db2.gz SHNBTEBVBISWRG-QGOAFFKASA-N -1 0 486.410 4.383 40 10 JICBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(O)cc1 ZINC000408536747 570190618 /nfs/dbraw/zinc/19/06/18/570190618.db2.gz AVNRMQCVHGMSSI-HZHRSRAPSA-N -1 0 457.530 4.439 40 10 JICBRM COc1cc(COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1 ZINC000408537814 570190921 /nfs/dbraw/zinc/19/09/21/570190921.db2.gz HJGYCMHMYQYSJP-UHFFFAOYSA-N -1 0 492.915 4.256 40 10 JICBRM COc1cccc(Oc2ccc(NC=C3C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)cn2)c1 ZINC000408549854 570194759 /nfs/dbraw/zinc/19/47/59/570194759.db2.gz AIMQVUONBBRUFE-ATVHPVEESA-N -1 0 498.923 4.419 40 10 JICBRM CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000016157345 519708787 /nfs/dbraw/zinc/70/87/87/519708787.db2.gz ZAOMHENTILYTRS-OYKKKHCWSA-N -1 0 470.529 4.336 40 10 JICBRM O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000008820433 554707314 /nfs/dbraw/zinc/70/73/14/554707314.db2.gz HFNCXQBNNZDTJQ-DFBITEFZSA-N -1 0 455.517 4.087 40 10 JICBRM O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000008821357 554709401 /nfs/dbraw/zinc/70/94/01/554709401.db2.gz WPIZDZMOQUOJET-BOPFTXTBSA-N -1 0 469.993 4.008 40 10 JICBRM O=C([O-])c1cc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)ccc1O ZINC000008857635 554754431 /nfs/dbraw/zinc/75/44/31/554754431.db2.gz QGWXHZIKIJQRHN-UYRXBGFRSA-N -1 0 470.572 4.491 40 10 JICBRM COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)[N-]C2=S)cc1 ZINC000009260342 555034639 /nfs/dbraw/zinc/03/46/39/555034639.db2.gz LXRAHKBXEADANO-UYRXBGFRSA-N -1 0 482.359 4.080 40 10 JICBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000014132656 555700386 /nfs/dbraw/zinc/70/03/86/555700386.db2.gz LAERTOQBLRSREV-KGENOOAVSA-N -1 0 457.442 4.149 40 10 JICBRM CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc1OC ZINC000016162417 556127795 /nfs/dbraw/zinc/12/77/95/556127795.db2.gz JAGYZWAEUZDNEH-XNTDXEJSSA-N -1 0 473.323 4.085 40 10 JICBRM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000059595621 569607076 /nfs/dbraw/zinc/60/70/76/569607076.db2.gz KGFGJHNIKHNMBI-FYJGNVAPSA-N -1 0 475.570 4.251 40 10 JICBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000033765074 569633921 /nfs/dbraw/zinc/63/39/21/569633921.db2.gz UNPSXJOVNCSDAV-ZDLGFXPLSA-N -1 0 494.847 4.197 40 10 JICBRM COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc2c(c1)OCO2 ZINC000035223804 569678456 /nfs/dbraw/zinc/67/84/56/569678456.db2.gz UXXZCRHNPBITPD-ODLFYWEKSA-N -1 0 478.888 4.118 40 10 JICBRM COC(=O)c1cc(N=C(C)c2c(-c3ccccc3)[n-]n(-c3ccccc3)c2=O)cc(C(=O)OC)c1 ZINC000103921286 569839285 /nfs/dbraw/zinc/83/92/85/569839285.db2.gz UZBBPIZAMBSVQY-QJOMJCCJSA-N -1 0 469.497 4.397 40 10 JICBRM CCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000108222714 569859075 /nfs/dbraw/zinc/85/90/75/569859075.db2.gz ZOHIMKCHQHBXKS-PGMHBOJBSA-N -1 0 450.491 4.099 40 10 JICBRM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000113472074 569861826 /nfs/dbraw/zinc/86/18/26/569861826.db2.gz DRYVLOLBEBARBM-STZFKDTASA-N -1 0 480.477 4.057 40 10 JICBRM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223311237 569906929 /nfs/dbraw/zinc/90/69/29/569906929.db2.gz HKVSBPLRSKYHTP-GKVQRAMASA-N -1 0 476.602 4.339 40 10 JICBRM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223311152 569906968 /nfs/dbraw/zinc/90/69/68/569906968.db2.gz HKVSBPLRSKYHTP-NTUVXCKYSA-N -1 0 476.602 4.339 40 10 JICBRM CCn1c(S/C(=C\c2ccc(N(C)C)cc2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408633595 569984556 /nfs/dbraw/zinc/98/45/56/569984556.db2.gz OBGUIHNCQXCQQJ-JAIQZWGSSA-N -1 0 454.552 4.266 40 10 JICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408742046 570032566 /nfs/dbraw/zinc/03/25/66/570032566.db2.gz UNLJMXRITPJWJZ-PXLXIMEGSA-N -1 0 472.497 4.339 40 10 JICBRM Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1/C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O ZINC000408758348 570036205 /nfs/dbraw/zinc/03/62/05/570036205.db2.gz YJLITKAJISAYNQ-JJIBRWJFSA-N -1 0 464.525 4.347 40 10 JICBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc4c(c3)OCO4)C2=O)c1 ZINC000408769088 570038550 /nfs/dbraw/zinc/03/85/50/570038550.db2.gz NOLJNOWVXNDMCF-FYJGNVAPSA-N -1 0 470.481 4.278 40 10 JICBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)o2)cc1Cl ZINC000408776132 570040291 /nfs/dbraw/zinc/04/02/91/570040291.db2.gz MGYNLATZTJWNLX-LDADJPATSA-N -1 0 464.861 4.361 40 10 JICBRM 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40 10 JICBRM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1 ZINC000408796631 570044547 /nfs/dbraw/zinc/04/45/47/570044547.db2.gz BCMXEXDIUJVNQZ-UDWIEESQSA-N -1 0 477.860 4.494 40 10 JICBRM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OCC)ccc4ccccc43)C2=O)cc1 ZINC000408804484 570047003 /nfs/dbraw/zinc/04/70/03/570047003.db2.gz AJGMDKUSTBMLOB-RCCKNPSSSA-N -1 0 458.470 4.082 40 10 JICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OC ZINC000408809206 570048500 /nfs/dbraw/zinc/04/85/00/570048500.db2.gz QYWQYWNFOKDQTI-OQLLNIDSSA-N -1 0 473.323 4.140 40 10 JICBRM CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OCC)cc2)C1=O ZINC000408809062 570048528 /nfs/dbraw/zinc/04/85/28/570048528.db2.gz HEEUSGZAQHVWGI-CJLVFECKSA-N -1 0 472.497 4.472 40 10 JICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 ZINC000408813358 570049634 /nfs/dbraw/zinc/04/96/34/570049634.db2.gz NTPPYZNFPYEFKC-HZHRSRAPSA-N -1 0 460.461 4.470 40 10 JICBRM 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COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408535974 570190208 /nfs/dbraw/zinc/19/02/08/570190208.db2.gz PHYLZIWVLCIEGK-KGENOOAVSA-N -1 0 470.481 4.198 40 10 JICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000408538333 570191082 /nfs/dbraw/zinc/19/10/82/570191082.db2.gz LFOYHAFWTBTUEM-GXDHUFHOSA-N -1 0 464.703 4.080 40 10 JICBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1I ZINC000408553430 570195795 /nfs/dbraw/zinc/19/57/95/570195795.db2.gz YYQLEYQRPHWAEE-YRNVUSSQSA-N -1 0 487.080 4.264 40 10 JICBRM O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 ZINC000001792471 194141393 /nfs/dbraw/zinc/14/13/93/194141393.db2.gz SBDIEKFTTCVYDE-WJDWOHSUSA-N -1 0 491.388 4.377 40 10 JICBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c(Br)o1 ZINC000059104935 195388367 /nfs/dbraw/zinc/38/83/67/195388367.db2.gz LOQFBYXXKMPKNA-VMPITWQZSA-N -1 0 458.037 4.450 40 10 JICBRM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC(=O)OC 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Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1C ZINC000408804279 570046868 /nfs/dbraw/zinc/04/68/68/570046868.db2.gz WZURHUWVFCRYOD-OEAKJJBVSA-N -1 0 471.469 4.457 40 10 JICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408806100 570047577 /nfs/dbraw/zinc/04/75/77/570047577.db2.gz ARQXDXNHWCVAOT-UDWIEESQSA-N -1 0 478.888 4.300 40 10 JICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OC(C)C ZINC000408812028 570049408 /nfs/dbraw/zinc/04/94/08/570049408.db2.gz KZZIMKQWEKDVGE-CXUHLZMHSA-N -1 0 489.322 4.007 40 10 JICBRM O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1 ZINC000408814755 570050155 /nfs/dbraw/zinc/05/01/55/570050155.db2.gz ZQDCBCFJVNRADY-UHFFFAOYSA-N -1 0 470.106 4.084 40 10 JICBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C1=O ZINC000408820564 570051905 /nfs/dbraw/zinc/05/19/05/570051905.db2.gz YQBPGDJMUSEQOU-XMHGGMMESA-N -1 0 464.319 4.469 40 10 JICBRM 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COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)o1 ZINC000409148666 570148260 /nfs/dbraw/zinc/14/82/60/570148260.db2.gz ZKMFCZHUHPDVED-CPNJWEJPSA-N -1 0 460.511 4.181 40 10 JICBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1C ZINC000409192815 570162524 /nfs/dbraw/zinc/16/25/24/570162524.db2.gz BTQNOXDKMSVNNT-XDHOZWIPSA-N -1 0 477.542 4.225 40 10 JICBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409200986 570165269 /nfs/dbraw/zinc/16/52/69/570165269.db2.gz MTRRBVALOZCZFM-JHBOHYQCSA-N -1 0 457.983 4.077 40 10 JICBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1C ZINC000409207620 570167777 /nfs/dbraw/zinc/16/77/77/570167777.db2.gz YWFLFXNCVYJSON-YBFXNURJSA-N -1 0 495.532 4.365 40 10 JICBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409221122 570174440 /nfs/dbraw/zinc/17/44/40/570174440.db2.gz LEEZVMDVFNVMGF-MHWRWJLKSA-N -1 0 463.456 4.276 40 10 JICBRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000409239957 570181487 /nfs/dbraw/zinc/18/14/87/570181487.db2.gz IRQVWPUTLLNQAG-NTEUORMPSA-N -1 0 472.682 4.424 40 10 JICBRM Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2)c1C ZINC000409256292 570186916 /nfs/dbraw/zinc/18/69/16/570186916.db2.gz NDRYJJFNAONAJY-HYARGMPZSA-N -1 0 487.487 4.126 40 10 JICBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408533148 570188914 /nfs/dbraw/zinc/18/89/14/570188914.db2.gz JMAWAOJFMJEZMN-QGOAFFKASA-N -1 0 474.444 4.028 40 10 JICBRM CCCOC(=O)c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)ccc1Cl ZINC000408538545 570191104 /nfs/dbraw/zinc/19/11/04/570191104.db2.gz OPCISBINTHCVPG-GHRIWEEISA-N -1 0 455.898 4.048 40 10 JICBRM Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000059138832 195392320 /nfs/dbraw/zinc/39/23/20/195392320.db2.gz YGXRIFDBVBTHFA-XDHOZWIPSA-N -1 0 477.904 4.454 40 10 JICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3F)C2=O)cc1 ZINC000016691701 521037492 /nfs/dbraw/zinc/03/74/92/521037492.db2.gz SSWRVQAPEZVCPP-QNGOZBTKSA-N -1 0 460.461 4.470 40 10 JICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)cc1 ZINC000000883615 553820484 /nfs/dbraw/zinc/82/04/84/553820484.db2.gz PCLKILFKZYLKTO-LPYMAVHISA-N -1 0 482.496 4.366 40 10 JICBRM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1 ZINC000001864071 553998276 /nfs/dbraw/zinc/99/82/76/553998276.db2.gz GKQGLNREUZPCGA-HAVVHWLPSA-N -1 0 459.546 4.269 40 10 JICBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1 ZINC000006457176 554541489 /nfs/dbraw/zinc/54/14/89/554541489.db2.gz CYAKUFKQFGBSPP-VBKFSLOCSA-N -1 0 470.323 4.210 40 10 JICBRM O=C(Cn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21)N1CCCCC1 ZINC000008816243 554698107 /nfs/dbraw/zinc/69/81/07/554698107.db2.gz GQQMDKFFPFYOSB-PXLXIMEGSA-N -1 0 470.529 4.156 40 10 JICBRM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1Cl ZINC000020175876 555681932 /nfs/dbraw/zinc/68/19/32/555681932.db2.gz GSGUWBWZAZAPHU-XMHGGMMESA-N -1 0 462.889 4.419 40 10 JICBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000014257347 555756783 /nfs/dbraw/zinc/75/67/83/555756783.db2.gz WPFNXTBJPWGTAN-JAIQZWGSSA-N -1 0 480.933 4.487 40 10 JICBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000015013025 555854762 /nfs/dbraw/zinc/85/47/62/555854762.db2.gz HPQZIOKYORVXEC-JAIQZWGSSA-N -1 0 480.318 4.229 40 10 JICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(I)c3O)C2=O)cc1 ZINC000083318113 569708587 /nfs/dbraw/zinc/70/85/87/569708587.db2.gz IUPVNQNKJAKPEG-NTUHNPAUSA-N -1 0 482.661 4.465 40 10 JICBRM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCC(=O)NC1CCCCC1 ZINC000036612682 569778002 /nfs/dbraw/zinc/77/80/02/569778002.db2.gz UYYATIPMTHRFMY-PXLXIMEGSA-N -1 0 461.518 4.019 40 10 JICBRM CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(OC)c1[O-] ZINC000101550110 569801344 /nfs/dbraw/zinc/80/13/44/569801344.db2.gz QAMYDMMEYXBISN-LDADJPATSA-N -1 0 453.451 4.072 40 10 JICBRM COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccccc1OC(F)(F)F ZINC000103521478 569835776 /nfs/dbraw/zinc/83/57/76/569835776.db2.gz XUEXUCMYBJIFBJ-DEDYPNTBSA-N -1 0 463.412 4.246 40 10 JICBRM CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000104123736 569841333 /nfs/dbraw/zinc/84/13/33/569841333.db2.gz RLDYFVLBECEDSU-LRDZBDLTSA-N -1 0 477.955 4.277 40 10 JICBRM CCOc1ccc(NC(=O)[C@H](N=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(C)=O)cc1 ZINC000104123968 569841359 /nfs/dbraw/zinc/84/13/59/569841359.db2.gz JYNHMNBLUAJXGE-KRXRYSOXSA-N -1 0 487.563 4.023 40 10 JICBRM O=C(Oc1ccc(Br)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O)c1ccccc1 ZINC000107711904 569857110 /nfs/dbraw/zinc/85/71/10/569857110.db2.gz PHVLBZKSANLERU-XMHGGMMESA-N -1 0 463.287 4.130 40 10 JICBRM 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JICBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3cccc(Br)c3)C2=O)c1 ZINC000409012288 570099916 /nfs/dbraw/zinc/09/99/16/570099916.db2.gz QCFLCUJRLJULFK-CPNJWEJPSA-N -1 0 450.292 4.215 40 10 JICBRM COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000409013889 570100366 /nfs/dbraw/zinc/10/03/66/570100366.db2.gz OEADMZBHNICGAR-XDHOZWIPSA-N -1 0 451.935 4.279 40 10 JICBRM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(Br)cc1OC ZINC000409143061 570145498 /nfs/dbraw/zinc/14/54/98/570145498.db2.gz MSERZLUXJJGIAV-OQLLNIDSSA-N -1 0 489.391 4.305 40 10 JICBRM CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4OC)C3=O)c2C)cc1 ZINC000409171770 570155101 /nfs/dbraw/zinc/15/51/01/570155101.db2.gz AGMSHMLGXQELCV-RCCKNPSSSA-N -1 0 459.571 4.496 40 10 JICBRM COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3cccs3)C2=O)c1C ZINC000409198838 570164334 /nfs/dbraw/zinc/16/43/34/570164334.db2.gz FWCMHRUGWGVIER-VCHYOVAHSA-N -1 0 497.598 4.283 40 10 JICBRM 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JICBRM CC(C)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408739821 570031657 /nfs/dbraw/zinc/03/16/57/570031657.db2.gz ASZSUNHHVFEDRP-VCHYOVAHSA-N -1 0 459.365 4.315 40 10 JICBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)[N-]C2=S)cc1 ZINC000408741443 570032328 /nfs/dbraw/zinc/03/23/28/570032328.db2.gz LZNPCBNGVMACCY-HYARGMPZSA-N -1 0 473.510 4.314 40 10 JICBRM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408779705 570041030 /nfs/dbraw/zinc/04/10/30/570041030.db2.gz ILOVHSVEBISCAF-LPYMAVHISA-N -1 0 490.541 4.232 40 10 JICBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000408780553 570041371 /nfs/dbraw/zinc/04/13/71/570041371.db2.gz DJVCNAKYBYYCRX-MHWRWJLKSA-N -1 0 482.792 4.083 40 10 JICBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3)C2=O)cc1 ZINC000408801126 570045680 /nfs/dbraw/zinc/04/56/80/570045680.db2.gz TZUXGCZNRSFRSC-HZHRSRAPSA-N -1 0 472.497 4.339 40 10 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CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(=O)[O-] ZINC000408901238 570068597 /nfs/dbraw/zinc/06/85/97/570068597.db2.gz CJRGOZDWYWFNHJ-CXUHLZMHSA-N -1 0 459.296 4.117 40 10 JICBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408940977 570082596 /nfs/dbraw/zinc/08/25/96/570082596.db2.gz WBXQYEYUVIRORA-MTJSOVHGSA-N -1 0 477.860 4.494 40 10 JICBRM CCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408982147 570091058 /nfs/dbraw/zinc/09/10/58/570091058.db2.gz GGBSELMYACRLEH-BOPFTXTBSA-N -1 0 487.350 4.475 40 10 JICBRM COc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408986158 570092382 /nfs/dbraw/zinc/09/23/82/570092382.db2.gz ZVAKFNDMLHWOEL-MLPAPPSSSA-N -1 0 479.714 4.095 40 10 JICBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 ZINC000409009255 570099099 /nfs/dbraw/zinc/09/90/99/570099099.db2.gz CLOBNCSUKPNOEH-LDADJPATSA-N -1 0 454.255 4.045 40 10 JICBRM CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000409044049 570108192 /nfs/dbraw/zinc/10/81/92/570108192.db2.gz AQEZBRCOAUFJDV-UHFFFAOYSA-N -1 0 486.480 4.132 40 10 JICBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1Cl ZINC000409046402 570108837 /nfs/dbraw/zinc/10/88/37/570108837.db2.gz KLTBLFLYPCPFNN-FYJGNVAPSA-N -1 0 489.915 4.332 40 10 JICBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O ZINC000409048375 570109363 /nfs/dbraw/zinc/10/93/63/570109363.db2.gz STGXFDRZTYXVMW-XSFVSMFZSA-N -1 0 489.915 4.332 40 10 JICBRM COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCC(=O)[O-] ZINC000409050469 570109813 /nfs/dbraw/zinc/10/98/13/570109813.db2.gz WDDVKVDSJWWSQI-YCRREMRBSA-N -1 0 490.768 4.314 40 10 JICBRM COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)o1 ZINC000409130626 570139878 /nfs/dbraw/zinc/13/98/78/570139878.db2.gz WWBAZYHRIJFERP-CPNJWEJPSA-N -1 0 460.511 4.181 40 10 JICBRM 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CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)cc3)C2=O)cc1 ZINC000408982269 570091082 /nfs/dbraw/zinc/09/10/82/570091082.db2.gz CZRDYGDBJWDTES-XKZIYDEJSA-N -1 0 470.481 4.223 40 10 JICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)cc1 ZINC000408984738 570091856 /nfs/dbraw/zinc/09/18/56/570091856.db2.gz JQBIFFXRKSJWQE-UYRXBGFRSA-N -1 0 461.430 4.092 40 10 JICBRM CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408987550 570092818 /nfs/dbraw/zinc/09/28/18/570092818.db2.gz PANUIYJGWKGQIL-AUWJEWJLSA-N -1 0 493.741 4.485 40 10 JICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408992469 570094458 /nfs/dbraw/zinc/09/44/58/570094458.db2.gz SVJVQJMGIKAWTD-STZFKDTASA-N -1 0 470.481 4.223 40 10 JICBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408999106 570095989 /nfs/dbraw/zinc/09/59/89/570095989.db2.gz KFKBNZATEPZMHD-BKUYFWCQSA-N -1 0 463.921 4.418 40 10 JICBRM 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Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408898399 570067744 /nfs/dbraw/zinc/06/77/44/570067744.db2.gz KXVVKGGSPFDQPQ-PXLXIMEGSA-N -1 0 490.537 4.046 40 10 JICBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408934149 570080852 /nfs/dbraw/zinc/08/08/52/570080852.db2.gz COXYFVZMIMXNNP-KGENOOAVSA-N -1 0 459.483 4.005 40 10 JICBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 ZINC000408934533 570081048 /nfs/dbraw/zinc/08/10/48/570081048.db2.gz DYCIKDOFRPKJMX-HMAPJEAMSA-N -1 0 471.469 4.457 40 10 JICBRM Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)c2)cc1 ZINC000408936531 570081548 /nfs/dbraw/zinc/08/15/48/570081548.db2.gz KVRKDKULLWPUMR-HAHDFKILSA-N -1 0 490.537 4.046 40 10 JICBRM Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)c2)cc1 ZINC000408939513 570082317 /nfs/dbraw/zinc/08/23/17/570082317.db2.gz STKUYKCWEDQSAW-BKUYFWCQSA-N -1 0 496.928 4.083 40 10 JICBRM Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 ZINC000408951854 570084262 /nfs/dbraw/zinc/08/42/62/570084262.db2.gz MSVMWXQROGFCTD-LICLKQGHSA-N -1 0 450.834 4.304 40 10 JICBRM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)C(=O)[N-]C2=S)cc1 ZINC000408952922 570084367 /nfs/dbraw/zinc/08/43/67/570084367.db2.gz NDSZQIGJJHEFEG-KPKJPENVSA-N -1 0 484.169 4.198 40 10 JICBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4)C3=O)c2C)c1 ZINC000408968132 570088097 /nfs/dbraw/zinc/08/80/97/570088097.db2.gz UKGCSVPKAHYMHB-HZHRSRAPSA-N -1 0 487.581 4.411 40 10 JICBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)OC)ccc4C)c3C)C2=O)cc1 ZINC000408982937 570091338 /nfs/dbraw/zinc/09/13/38/570091338.db2.gz IZHZWHMNYBDBRB-UCQKPKSFSA-N -1 0 485.540 4.418 40 10 JICBRM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1 ZINC000409041995 570107798 /nfs/dbraw/zinc/10/77/98/570107798.db2.gz LUDXAIQGGJQGBA-DEDYPNTBSA-N -1 0 493.878 4.163 40 10 JICBRM CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000409043346 570107949 /nfs/dbraw/zinc/10/79/49/570107949.db2.gz QCGORZATUJOPJN-NTEUORMPSA-N -1 0 494.139 4.277 40 10 JICBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccccc2)C1=O ZINC000409045788 570108647 /nfs/dbraw/zinc/10/86/47/570108647.db2.gz HQBVYWJUZULWIQ-XMHGGMMESA-N -1 0 489.915 4.332 40 10 JICBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccccc3)cc2)C1=O ZINC000409066865 570116794 /nfs/dbraw/zinc/11/67/94/570116794.db2.gz MTRMWOHIBYAWBO-XMHGGMMESA-N -1 0 496.928 4.083 40 10 JICBRM COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000409075611 570119847 /nfs/dbraw/zinc/11/98/47/570119847.db2.gz ZEFDZUIRDOWMBX-WQRHYEAKSA-N -1 0 493.497 4.012 40 10 JICBRM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409129140 570139291 /nfs/dbraw/zinc/13/92/91/570139291.db2.gz QXYWOFIYRWBXON-BKUYFWCQSA-N -1 0 474.542 4.450 40 10 JICBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409197439 570163934 /nfs/dbraw/zinc/16/39/34/570163934.db2.gz FKRSBKGSIGTRAB-STZFKDTASA-N -1 0 491.548 4.007 40 10 JICBRM COc1ccccc1OCCn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21 ZINC000409198039 570164153 /nfs/dbraw/zinc/16/41/53/570164153.db2.gz VJVGOIPVPVGIAM-PGMHBOJBSA-N -1 0 473.529 4.133 40 10 JICBRM CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409211719 570170153 /nfs/dbraw/zinc/17/01/53/570170153.db2.gz OAOUCIRDPOSGOK-SFQUDFHCSA-N -1 0 473.323 4.303 40 10 JICBRM O=C([N-]N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S)c1cccs1 ZINC000409216257 570172558 /nfs/dbraw/zinc/17/25/58/570172558.db2.gz GQFOADTZJNZOLY-YBEGLDIGSA-N -1 0 484.540 4.390 40 10 JICBRM COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000409236528 570180049 /nfs/dbraw/zinc/18/00/49/570180049.db2.gz SQLGFQGWNQNFMC-LFIBNONCSA-N -1 0 481.848 4.492 40 10 JICBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409240260 570181704 /nfs/dbraw/zinc/18/17/04/570181704.db2.gz GDHDEJNVQBTVEE-LFIBNONCSA-N -1 0 451.822 4.483 40 10 JICBRM Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409250647 570185642 /nfs/dbraw/zinc/18/56/42/570185642.db2.gz MHMSYHABTXGQHZ-ZHZULCJRSA-N -1 0 489.915 4.332 40 10 JICBRM Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O ZINC000408529061 570186970 /nfs/dbraw/zinc/18/69/70/570186970.db2.gz GVKFTBXNRFCEAU-KGENOOAVSA-N -1 0 496.483 4.129 40 10 JICBRM O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(Br)c2ccccc12 ZINC000408529246 570187126 /nfs/dbraw/zinc/18/71/26/570187126.db2.gz HHOIREMGLZBJFW-NBVRZTHBSA-N -1 0 464.319 4.219 40 10 JICBRM Cc1ccccc1NC(=O)COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000409267849 570188735 /nfs/dbraw/zinc/18/87/35/570188735.db2.gz WPLIQHDGYMHOGU-FYJGNVAPSA-N -1 0 489.915 4.332 40 10 JICBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408549607 570194755 /nfs/dbraw/zinc/19/47/55/570194755.db2.gz VQMFWKBTZHUKRP-NTUHNPAUSA-N -1 0 451.331 4.150 40 10 JICBRM Cc1cc(Br)ccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000408550965 570195127 /nfs/dbraw/zinc/19/51/27/570195127.db2.gz LBYSJDNKDLYEMV-WQLSENKSSA-N -1 0 468.735 4.294 40 10 JICBRM