smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(C)c3)C(=O)N2C)cc1 ZINC000020168757 521464273 /nfs/dbraw/zinc/46/42/73/521464273.db2.gz PIYYCNHXMMLPOO-LWVPEANGSA-N 0 2 425.510 3.762 40 30 IHEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(C)c3)C(=O)N2C)cc1 ZINC000020168757 521464281 /nfs/dbraw/zinc/46/42/81/521464281.db2.gz PIYYCNHXMMLPOO-LWVPEANGSA-N 0 2 425.510 3.762 40 30 IHEBLN Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408529841 555724149 /nfs/dbraw/zinc/72/41/49/555724149.db2.gz DGQXDQQAIZGYLG-CQSZACIVSA-N 0 2 434.330 3.524 40 30 IHEBLN C=CCOc1ccc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408566850 555910368 /nfs/dbraw/zinc/91/03/68/555910368.db2.gz PNCQMBCQSMEGCO-JECRDHHXSA-N 0 2 449.507 3.705 40 30 IHEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC#N ZINC000408785540 556855823 /nfs/dbraw/zinc/85/58/23/556855823.db2.gz HBMFQTRJHNUGDD-RIYZIHGNSA-N 0 2 446.246 3.571 40 30 IHEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408799996 556858094 /nfs/dbraw/zinc/85/80/94/556858094.db2.gz MMWJBZOHLIZWIZ-LFIBNONCSA-N 0 2 426.856 3.888 40 30 IHEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408896766 556881183 /nfs/dbraw/zinc/88/11/83/556881183.db2.gz HVZREQFASVNZIN-ATVHPVEESA-N 0 2 441.281 3.989 40 30 IHEBLN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](c2cccc4ccccc42)[C@H](C#N)C(=O)N3)cc1 ZINC000019961539 556955312 /nfs/dbraw/zinc/95/53/12/556955312.db2.gz HKHLTMQFSFLZGB-VQTJNVASSA-N 0 2 437.459 3.899 40 30 IHEBLN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](c2cccc4ccccc42)C(C#N)C(=O)N3)cc1 ZINC000019961539 556955313 /nfs/dbraw/zinc/95/53/13/556955313.db2.gz HKHLTMQFSFLZGB-VQTJNVASSA-N 0 2 437.459 3.899 40 30 IHEBLN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(O)c([N+](=O)[O-])c1)C1c3ccccc3C2c2ccccc21 ZINC000409144193 556976057 /nfs/dbraw/zinc/97/60/57/556976057.db2.gz JXTYIKPXOOPTSS-VOVWPHFWSA-N 0 2 439.427 3.527 40 30 IHEBLN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000409308704 557056594 /nfs/dbraw/zinc/05/65/94/557056594.db2.gz YEAMQKCMQHRPDB-UHFFFAOYSA-N 0 2 445.273 3.953 40 30 IHEBLN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(O)c2)c1 ZINC000008022817 557168827 /nfs/dbraw/zinc/16/88/27/557168827.db2.gz RALAXEAPGLUDDW-NRFANRHFSA-N 0 2 425.481 3.794 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000015013087 568827844 /nfs/dbraw/zinc/82/78/44/568827844.db2.gz WYTMDRCDVSEXSK-BOPFTXTBSA-N 0 2 438.867 3.726 40 30 IHEBLN Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@@H](c1ccccc1)[C@@H](C#N)C(N)=O ZINC000004162317 556820546 /nfs/dbraw/zinc/82/05/46/556820546.db2.gz FMCMZHJTXJQQCN-RLLQIKCJSA-N 0 2 429.505 3.558 40 30 IHEBLN COc1ccc(CNC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc1 ZINC000004957317 556825554 /nfs/dbraw/zinc/82/55/54/556825554.db2.gz HEOABEGMXNPADH-ZPKJPUMHSA-N 0 2 425.554 3.989 40 30 IHEBLN COc1ccc(CNC(=O)CC2S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc1 ZINC000004957317 556825562 /nfs/dbraw/zinc/82/55/62/556825562.db2.gz HEOABEGMXNPADH-ZPKJPUMHSA-N 0 2 425.554 3.989 40 30 IHEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC#N ZINC000408767800 556830307 /nfs/dbraw/zinc/83/03/07/556830307.db2.gz OMWJDDGTFHQFRY-CXUHLZMHSA-N 0 2 439.855 3.534 40 30 IHEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000408801789 556858815 /nfs/dbraw/zinc/85/88/15/556858815.db2.gz BRSIDRWAXDXSQD-MHWRWJLKSA-N 0 2 426.856 3.888 40 30 IHEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC#N ZINC000408843711 556868296 /nfs/dbraw/zinc/86/82/96/556868296.db2.gz AUAICOOVPWYXFG-CXUHLZMHSA-N 0 2 439.855 3.534 40 30 IHEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC#N ZINC000408982280 556907995 /nfs/dbraw/zinc/90/79/95/556907995.db2.gz DBGBBSWTNZNCFK-YBEGLDIGSA-N 0 2 439.855 3.616 40 30 IHEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408983860 556908306 /nfs/dbraw/zinc/90/83/06/556908306.db2.gz NUJUYFJPDMJNIM-BOPFTXTBSA-N 0 2 438.867 3.726 40 30 IHEBLN CC(C)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCC(C)C ZINC000100495040 557114098 /nfs/dbraw/zinc/11/40/98/557114098.db2.gz QQHADWZDVUBJKG-UHFFFAOYSA-N 0 2 428.364 3.852 40 30 IHEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCC#N ZINC000059135595 557815254 /nfs/dbraw/zinc/81/52/54/557815254.db2.gz RDWKHCKNTCGFKI-LDADJPATSA-N 0 2 435.411 3.972 40 30 IHEBLN C#CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000059198195 557818565 /nfs/dbraw/zinc/81/85/65/557818565.db2.gz QSGXQYMHQMEHGV-SFQUDFHCSA-N 0 2 425.238 3.968 40 30 IHEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(I)o3)SC2=N)s1 ZINC000033767827 569261898 /nfs/dbraw/zinc/26/18/98/569261898.db2.gz MANRBWIVXJWPGR-FPCXVTQDSA-N 0 2 431.280 3.716 40 30 IHEBLN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 ZINC000001102907 555629027 /nfs/dbraw/zinc/62/90/27/555629027.db2.gz ZQRTZLPPEQDCRW-CAOOACKPSA-N 0 2 448.136 3.538 40 30 IHEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408535927 555756828 /nfs/dbraw/zinc/75/68/28/555756828.db2.gz PBEAGZLXHOPNKK-SNVBAGLBSA-N 0 2 438.640 3.843 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000408797955 556857551 /nfs/dbraw/zinc/85/75/51/556857551.db2.gz DBLYMZIGVTWGPX-MHWRWJLKSA-N 0 2 438.867 3.644 40 30 IHEBLN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408816696 556863947 /nfs/dbraw/zinc/86/39/47/556863947.db2.gz VDOJLFZRMSQYCL-XSFVSMFZSA-N 0 2 443.415 3.979 40 30 IHEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408819207 556864836 /nfs/dbraw/zinc/86/48/36/556864836.db2.gz YOVJZWAGISNQLK-RVDMUPIBSA-N 0 2 429.259 3.980 40 30 IHEBLN N#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000408855370 556872009 /nfs/dbraw/zinc/87/20/09/556872009.db2.gz MCQGKGILJYOQIV-NTUHNPAUSA-N 0 2 434.210 3.701 40 30 IHEBLN C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000409049211 556932062 /nfs/dbraw/zinc/93/20/62/556932062.db2.gz VPUPHKJAHJVWRN-MHWRWJLKSA-N 0 2 445.258 3.680 40 30 IHEBLN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(O)c([N+](=O)[O-])c1)C1c3ccccc3C2c2ccccc21 ZINC000409144182 556976070 /nfs/dbraw/zinc/97/60/70/556976070.db2.gz JXTYIKPXOOPTSS-VFHOGBNHSA-N 0 2 439.427 3.527 40 30 IHEBLN COc1ccc(NC(=O)CC2S/C(=N/N=C(\C)c3ccc(Cl)cc3)NC2=O)cc1 ZINC000020157645 556993425 /nfs/dbraw/zinc/99/34/25/556993425.db2.gz SOINHQARYFNGSL-FQIOEHTJSA-N 0 2 430.917 3.689 40 30 IHEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/N=C(\C)c3ccc(Cl)cc3)NC2=O)cc1 ZINC000020157645 556993427 /nfs/dbraw/zinc/99/34/27/556993427.db2.gz SOINHQARYFNGSL-FQIOEHTJSA-N 0 2 430.917 3.689 40 30 IHEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)OC ZINC000059135545 557815285 /nfs/dbraw/zinc/81/52/85/557815285.db2.gz KHMMEOQXJKSAHH-LDADJPATSA-N 0 2 438.411 3.613 40 30 IHEBLN C=CCc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000001284804 519142336 /nfs/dbraw/zinc/14/23/36/519142336.db2.gz LRRDKNLLZBTYGS-UHFFFAOYSA-N 0 2 429.523 3.690 40 30 IHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OCC ZINC000408800518 556858412 /nfs/dbraw/zinc/85/84/12/556858412.db2.gz NJNHPEMFICCAKQ-NTCAYCPXSA-N 0 2 426.856 3.970 40 30 IHEBLN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(O)c2)c1 ZINC000008022802 557168892 /nfs/dbraw/zinc/16/88/92/557168892.db2.gz RALAXEAPGLUDDW-OAQYLSRUSA-N 0 2 425.481 3.794 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000016195335 518315820 /nfs/dbraw/zinc/31/58/20/518315820.db2.gz WNJJUMHPEBEABO-DHDCSXOGSA-N 0 2 445.258 3.680 40 30 IHEBLN C#CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408799227 556857768 /nfs/dbraw/zinc/85/77/68/556857768.db2.gz JZMWGDJSFPXGCH-OQLLNIDSSA-N 0 2 445.258 3.680 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OCC ZINC000408805662 556860845 /nfs/dbraw/zinc/86/08/45/556860845.db2.gz BNRRAXCJASKBIL-GZTJUZNOSA-N 0 2 438.867 3.726 40 30 IHEBLN C=CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408900754 556882405 /nfs/dbraw/zinc/88/24/05/556882405.db2.gz UOHSHFGDCRZQFR-VBKFSLOCSA-N 0 2 441.281 3.989 40 30 IHEBLN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408939573 556896477 /nfs/dbraw/zinc/89/64/77/556896477.db2.gz NCFKVFBEBRLGRR-XSFVSMFZSA-N 0 2 443.415 3.979 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000408983376 556908189 /nfs/dbraw/zinc/90/81/89/556908189.db2.gz LQVUCETZGKDRSV-BOPFTXTBSA-N 0 2 438.867 3.589 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1O ZINC000409068634 556942828 /nfs/dbraw/zinc/94/28/28/556942828.db2.gz HLFVQYHSELEJBN-CXUHLZMHSA-N 0 2 426.856 3.758 40 30 IHEBLN Cc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)c(O)c(Br)c1 ZINC000003322274 557525121 /nfs/dbraw/zinc/52/51/21/557525121.db2.gz CMVDSHPULIQROL-UFWORHAWSA-N 0 2 437.091 3.818 40 30 IHEBLN COc1ccc(CN=Nc2cc(C)nc(NS(=O)(=O)c3ccccc3Cl)n2)cc1 ZINC000033933657 557810517 /nfs/dbraw/zinc/81/05/17/557810517.db2.gz NPOIHHJRIANHIG-MTJSOVHGSA-N 0 2 431.905 3.694 40 30 IHEBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC#N ZINC000059135232 557815099 /nfs/dbraw/zinc/81/50/99/557815099.db2.gz GDBTWCWVZNRPKJ-RIYZIHGNSA-N 0 2 429.791 3.897 40 30 IHEBLN CCCOc1ccc(NC(=O)CC2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020595633 520390921 /nfs/dbraw/zinc/39/09/21/520390921.db2.gz BEHQMEBLLCYIHN-YXUUZYBBSA-N 0 2 430.555 3.877 40 30 IHEBLN CCCOc1ccc(NC(=O)C[C@H]2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020595633 520390925 /nfs/dbraw/zinc/39/09/25/520390925.db2.gz BEHQMEBLLCYIHN-YXUUZYBBSA-N 0 2 430.555 3.877 40 30 IHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408754783 556237139 /nfs/dbraw/zinc/23/71/39/556237139.db2.gz RRVWYFJBJRKALP-SFQUDFHCSA-N 0 2 441.281 3.989 40 30 IHEBLN CC1(C)CC2=C(C(=O)C1)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C1(O2)C(=O)CC(C)(C)CC1=O ZINC000034771976 556582258 /nfs/dbraw/zinc/58/22/58/556582258.db2.gz AGZPMZAXYMKWSC-HXUWFJFHSA-N 0 2 427.453 3.754 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000408773706 556848226 /nfs/dbraw/zinc/84/82/26/556848226.db2.gz SCHNTEFHEVCIIQ-OQLLNIDSSA-N 0 2 429.259 3.980 40 30 IHEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408803138 556859788 /nfs/dbraw/zinc/85/97/88/556859788.db2.gz LPIZUVXRTIJMLC-LICLKQGHSA-N 0 2 426.856 3.888 40 30 IHEBLN C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000408815716 556863317 /nfs/dbraw/zinc/86/33/17/556863317.db2.gz UERPYBIZXFDZLI-SFQUDFHCSA-N 0 2 441.281 3.989 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OC ZINC000408878092 556877181 /nfs/dbraw/zinc/87/71/81/556877181.db2.gz ZOSHVHWBOLKCMP-WJDWOHSUSA-N 0 2 438.867 3.589 40 30 IHEBLN C#CCOc1c(CC=C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000408987272 556909833 /nfs/dbraw/zinc/90/98/33/556909833.db2.gz FLQWVLMQXVQLMQ-QNGOZBTKSA-N 0 2 444.487 3.665 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCC ZINC000409062761 556939995 /nfs/dbraw/zinc/93/99/95/556939995.db2.gz AMKXVXJFXMXNIF-CPNJWEJPSA-N 0 2 436.464 3.585 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OC ZINC000409069998 556944610 /nfs/dbraw/zinc/94/46/10/556944610.db2.gz MNVUZEAWROTCJZ-RVDMUPIBSA-N 0 2 426.856 3.752 40 30 IHEBLN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409319335 557061332 /nfs/dbraw/zinc/06/13/32/557061332.db2.gz DRGFUHCILHBWKA-UHFFFAOYSA-N 0 2 431.246 3.608 40 30 IHEBLN Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@H](c1ccccc1)[C@H](C#N)C(N)=O ZINC000100558303 557264587 /nfs/dbraw/zinc/26/45/87/557264587.db2.gz ZSMJMWVWOVVAPT-FXAWDEMLSA-N 0 2 429.505 3.767 40 30 IHEBLN Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@@H](c1ccccc1)[C@@H](C#N)C(N)=O ZINC000100558288 557264597 /nfs/dbraw/zinc/26/45/97/557264597.db2.gz ZSMJMWVWOVVAPT-XLIONFOSSA-N 0 2 429.505 3.767 40 30 IHEBLN N#CCOc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000059198283 557818478 /nfs/dbraw/zinc/81/84/78/557818478.db2.gz DOFLOLUXHZUCOK-RVDMUPIBSA-N 0 2 426.226 3.858 40 30 IHEBLN C#CCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000016136172 568829266 /nfs/dbraw/zinc/82/92/66/568829266.db2.gz NVEKYJWNTMVGIP-DHDCSXOGSA-N 0 2 425.784 3.767 40 30 IHEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408800454 556858101 /nfs/dbraw/zinc/85/81/01/556858101.db2.gz MJXBVDQXLSVPNY-LICLKQGHSA-N 0 2 426.856 3.888 40 30 IHEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCC#N ZINC000408990530 556911086 /nfs/dbraw/zinc/91/10/86/556911086.db2.gz NSLYEXBBUFXZTI-ZHZULCJRSA-N 0 2 445.475 3.555 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCCC ZINC000409064963 556941149 /nfs/dbraw/zinc/94/11/49/556941149.db2.gz JQPHFWCJBBOXOR-CPNJWEJPSA-N 0 2 436.464 3.585 40 30 IHEBLN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000409305800 557058721 /nfs/dbraw/zinc/05/87/21/557058721.db2.gz XLDGVCKJKYSFKX-UHFFFAOYSA-N 0 2 445.273 3.998 40 30 IHEBLN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1O ZINC000409331790 557065495 /nfs/dbraw/zinc/06/54/95/557065495.db2.gz IAZKNWAJABDTHN-UHFFFAOYSA-N 0 2 431.246 3.608 40 30 IHEBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C#N)cc3)o2)C1=O ZINC000409237256 569287365 /nfs/dbraw/zinc/28/73/65/569287365.db2.gz JBIXEYLPIZJFBW-QGOAFFKASA-N 0 2 427.416 3.883 40 30 IHEBLN CC1(C)CC2=C(C(=O)C1)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C1(O2)C(=O)CC(C)(C)CC1=O ZINC000034771975 556582382 /nfs/dbraw/zinc/58/23/82/556582382.db2.gz AGZPMZAXYMKWSC-FQEVSTJZSA-N 0 2 427.453 3.754 40 30 IHEBLN COc1ccc(CNC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc1 ZINC000004957318 556825567 /nfs/dbraw/zinc/82/55/67/556825567.db2.gz HEOABEGMXNPADH-KHUIZHDGSA-N 0 2 425.554 3.989 40 30 IHEBLN COc1ccc(CNC(=O)CC2S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc1 ZINC000004957318 556825571 /nfs/dbraw/zinc/82/55/71/556825571.db2.gz HEOABEGMXNPADH-KHUIZHDGSA-N 0 2 425.554 3.989 40 30 IHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O ZINC000408834513 556866925 /nfs/dbraw/zinc/86/69/25/556866925.db2.gz WJJMYGZPOUGALB-GXDHUFHOSA-N 0 2 442.855 3.588 40 30 IHEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408849228 556870418 /nfs/dbraw/zinc/87/04/18/556870418.db2.gz YLZXIHKDIRHJTF-KGENOOAVSA-N 0 2 444.487 3.719 40 30 IHEBLN C=CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408876739 556876874 /nfs/dbraw/zinc/87/68/74/556876874.db2.gz QQSDUYBVUCPTAY-KAMYIIQDSA-N 0 2 445.244 3.819 40 30 IHEBLN CCOC(=O)[C@H]1C(C=O)=C(O)c2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000104352671 557325578 /nfs/dbraw/zinc/32/55/78/557325578.db2.gz OSEHBKAFOZEZCG-FFBCTHBHSA-N 0 2 442.464 3.670 40 30 IHEBLN N#CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000059198163 557818511 /nfs/dbraw/zinc/81/85/11/557818511.db2.gz GOENKTSKFARFBF-LFIBNONCSA-N 0 2 426.226 3.858 40 30 IHEBLN C=CCSc1nnc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)s1 ZINC000222590320 556887474 /nfs/dbraw/zinc/88/74/74/556887474.db2.gz LLZWAHLPBPWOFW-UHFFFAOYSA-N 0 2 444.629 3.933 40 30 IHEBLN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](c2cccc4ccccc42)[C@@H](C#N)C(=O)N3)cc1 ZINC000019961549 556955670 /nfs/dbraw/zinc/95/56/70/556955670.db2.gz HKHLTMQFSFLZGB-UXHICEINSA-N 0 2 437.459 3.899 40 30 IHEBLN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](c2cccc4ccccc42)C(C#N)C(=O)N3)cc1 ZINC000019961549 556955671 /nfs/dbraw/zinc/95/56/71/556955671.db2.gz HKHLTMQFSFLZGB-UXHICEINSA-N 0 2 437.459 3.899 40 30 IHEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1ccc(Br)c(Cl)c1 ZINC000408534831 555754956 /nfs/dbraw/zinc/75/49/56/555754956.db2.gz MQCJRCOJGFSIIP-JTQLQIEISA-N 0 2 438.640 3.843 40 30 IHEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000408782057 556854812 /nfs/dbraw/zinc/85/48/12/556854812.db2.gz VLGSUJBXSRQMQI-RCCKNPSSSA-N 0 2 444.487 3.801 40 30 IHEBLN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc(O)c([N+](=O)[O-])c1)C1c3ccccc3C2c2ccccc21 ZINC000409144173 556975981 /nfs/dbraw/zinc/97/59/81/556975981.db2.gz JXTYIKPXOOPTSS-CEDSOCQSSA-N 0 2 439.427 3.527 40 30 IHEBLN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1O)C1c3ccccc3C2c2ccccc21 ZINC000409160823 556978429 /nfs/dbraw/zinc/97/84/29/556978429.db2.gz JFMNITHTRWYMMQ-VOVWPHFWSA-N 0 2 439.427 3.527 40 30 IHEBLN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409283418 557048557 /nfs/dbraw/zinc/04/85/57/557048557.db2.gz RDOXZMSYFJPJEV-UHFFFAOYSA-N 0 2 431.246 3.778 40 30 IHEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000014132869 557421590 /nfs/dbraw/zinc/42/15/90/557421590.db2.gz LSKOVIHONMANQN-XNTDXEJSSA-N 0 2 426.856 3.888 40 30 IHEBLN C#CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000001186380 568832932 /nfs/dbraw/zinc/83/29/32/568832932.db2.gz CYVDYHGPZDMDRR-PDGQHHTCSA-N 0 2 448.276 3.703 40 30 IHEBLN C=CCSc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)s1 ZINC000021585630 519091422 /nfs/dbraw/zinc/09/14/22/519091422.db2.gz RRLCRPNJIPQGCK-UHFFFAOYSA-N 0 2 438.581 3.931 40 30 IHEBLN CCNC(=O)C[C@H]1S/C(=N\c2cccc(Cl)c2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000020608898 521738944 /nfs/dbraw/zinc/73/89/44/521738944.db2.gz HEMJLJWUVGFALA-GOTYSUTNSA-N 0 2 445.928 3.727 40 30 IHEBLN CCNC(=O)CC1S/C(=N\c2cccc(Cl)c2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000020608898 521738945 /nfs/dbraw/zinc/73/89/45/521738945.db2.gz HEMJLJWUVGFALA-GOTYSUTNSA-N 0 2 445.928 3.727 40 30 IHEBLN C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000408805603 556860859 /nfs/dbraw/zinc/86/08/59/556860859.db2.gz HEVZRJOCLHJNCH-QGOAFFKASA-N 0 2 426.856 3.970 40 30 IHEBLN C=CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000408870352 556874650 /nfs/dbraw/zinc/87/46/50/556874650.db2.gz UOXUFRWHRXNYBF-LCYFTJDESA-N 0 2 430.819 3.719 40 30 IHEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1OCC ZINC000408901347 556882617 /nfs/dbraw/zinc/88/26/17/556882617.db2.gz XKDVIOLZYKVUQF-HKWRFOASSA-N 0 2 448.475 3.553 40 30 IHEBLN COCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2O)S/C1=N\c1ccc(OC)cc1 ZINC000408932441 556896102 /nfs/dbraw/zinc/89/61/02/556896102.db2.gz CDDXTKBKHGJOHP-RRZDCZAYSA-N 0 2 429.454 3.559 40 30 IHEBLN Oc1c(Br)cc(/C=N/NC(=S)Nc2cccnc2)cc1Br ZINC000006189534 557157166 /nfs/dbraw/zinc/15/71/66/557157166.db2.gz CBRSEWIZZNVBHF-UBKPWBPPSA-N 0 2 430.125 3.633 40 30 IHEBLN CCOC(=O)[C@@H]1C(C=O)=C(O)c2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000104352680 557325397 /nfs/dbraw/zinc/32/53/97/557325397.db2.gz OSEHBKAFOZEZCG-UQZWHMKLSA-N 0 2 442.464 3.670 40 30 IHEBLN CCOC(=O)c1sc(N=NC2C(C)=NN(c3ccccc3)C2=O)c(C(=O)OCC)c1C ZINC000102108100 568876453 /nfs/dbraw/zinc/87/64/53/568876453.db2.gz SPIFMLCZIUMZCL-JWGURIENSA-N 0 2 442.497 3.601 40 30 IHEBLN COc1ccc2c(c1)CC[NH+]=C2C[C@H]1CN(C(=O)c2ccc(C#N)cc2)CC[C@H]1CC(=O)[O-] ZINC000049590450 291371894 /nfs/dbraw/zinc/37/18/94/291371894.db2.gz MKHQZIDKFOLREA-FPOVZHCZSA-N 0 2 445.519 3.555 40 30 biogenic,in-vitro IHEBLN C=CCSc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)s1 ZINC000225720380 556683051 /nfs/dbraw/zinc/68/30/51/556683051.db2.gz WWDQCWSMIBSQEQ-UHFFFAOYSA-N 0 2 428.586 3.574 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1O ZINC000408782640 556855152 /nfs/dbraw/zinc/85/51/52/556855152.db2.gz IFZUADPPIVMKQI-MHWRWJLKSA-N 0 2 441.281 3.858 40 30 IHEBLN C=CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408895216 556880529 /nfs/dbraw/zinc/88/05/29/556880529.db2.gz CYXMJGIVXLQTMX-VBKFSLOCSA-N 0 2 441.281 3.989 40 30 IHEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000409070379 556944603 /nfs/dbraw/zinc/94/46/03/556944603.db2.gz ZAJNRANKYJPTNX-XSFVSMFZSA-N 0 2 448.475 3.751 40 30 IHEBLN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1O ZINC000409325599 557067403 /nfs/dbraw/zinc/06/74/03/557067403.db2.gz ZUHIWWQGVRTCQP-UHFFFAOYSA-N 0 2 445.273 3.998 40 30 IHEBLN Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@@H](c1ccccc1)[C@H](C#N)C(N)=O ZINC000100558298 557264609 /nfs/dbraw/zinc/26/46/09/557264609.db2.gz ZSMJMWVWOVVAPT-PXNSSMCTSA-N 0 2 429.505 3.767 40 30 IHEBLN CC(C)(C)c1nnc(NN=Cc2ccccc2OC(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000016776924 569161752 /nfs/dbraw/zinc/16/17/52/569161752.db2.gz RALRXVTXHMQAHU-FSJBWODESA-N 0 2 425.876 3.781 40 30 IHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1Cl ZINC000408809634 556861890 /nfs/dbraw/zinc/86/18/90/556861890.db2.gz HOYMAQPNGDXVEN-SFQUDFHCSA-N 0 2 426.856 3.970 40 30 IHEBLN COCCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c([N+](=O)[O-])c2)C2=C1CCCC2=O ZINC000409037498 556928947 /nfs/dbraw/zinc/92/89/47/556928947.db2.gz NTRKJFIXAAXUEJ-UHFFFAOYSA-N 0 2 426.469 3.750 40 30 IHEBLN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](c2cccc4ccccc42)[C@@H](C#N)C(=O)N3)cc1 ZINC000019961543 556955180 /nfs/dbraw/zinc/95/51/80/556955180.db2.gz HKHLTMQFSFLZGB-WOJBJXKFSA-N 0 2 437.459 3.899 40 30 IHEBLN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](c2cccc4ccccc42)C(C#N)C(=O)N3)cc1 ZINC000019961543 556955184 /nfs/dbraw/zinc/95/51/84/556955184.db2.gz HKHLTMQFSFLZGB-WOJBJXKFSA-N 0 2 437.459 3.899 40 30 IHEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(C)c3)C(=O)N2C)cc1 ZINC000020168759 556994666 /nfs/dbraw/zinc/99/46/66/556994666.db2.gz PIYYCNHXMMLPOO-FNWSHLARSA-N 0 2 425.510 3.762 40 30 IHEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(C)c3)C(=O)N2C)cc1 ZINC000020168759 556994667 /nfs/dbraw/zinc/99/46/67/556994667.db2.gz PIYYCNHXMMLPOO-FNWSHLARSA-N 0 2 425.510 3.762 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000032186353 568866042 /nfs/dbraw/zinc/86/60/42/568866042.db2.gz MTHQWKUEBVNZTA-LICLKQGHSA-N 0 2 438.867 3.644 40 30 IHEBLN Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408529835 555724218 /nfs/dbraw/zinc/72/42/18/555724218.db2.gz DGQXDQQAIZGYLG-AWEZNQCLSA-N 0 2 434.330 3.524 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OCC ZINC000408869371 556874505 /nfs/dbraw/zinc/87/45/05/556874505.db2.gz CKTXMHGSRJALQX-UVTDQMKNSA-N 0 2 442.830 3.556 40 30 IHEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1OC ZINC000408895315 556881005 /nfs/dbraw/zinc/88/10/05/556881005.db2.gz FCJKVLBWNHXDQL-RGEXLXHISA-N 0 2 436.464 3.715 40 30 IHEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC#N ZINC000408982947 556908312 /nfs/dbraw/zinc/90/83/12/556908312.db2.gz JACARHRPZFJABC-PDGQHHTCSA-N 0 2 435.867 3.946 40 30 IHEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1 ZINC000020168749 556994572 /nfs/dbraw/zinc/99/45/72/556994572.db2.gz VBMSUFSAYGEVRT-PJXFJRINSA-N 0 2 429.473 3.593 40 30 IHEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1 ZINC000020168749 556994574 /nfs/dbraw/zinc/99/45/74/556994574.db2.gz VBMSUFSAYGEVRT-PJXFJRINSA-N 0 2 429.473 3.593 40 30 IHEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000408911984 569286677 /nfs/dbraw/zinc/28/66/77/569286677.db2.gz PGHGZUDJKAJEEU-SRZZPIQSSA-N 0 2 428.423 3.771 40 30 IHEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2c(C)cccc2C)S1)c1ccc(F)cc1F ZINC000012529289 518460241 /nfs/dbraw/zinc/46/02/41/518460241.db2.gz AIDXAZBGMRWHBU-FCLYZYNOSA-N 0 2 430.480 3.922 40 30 IHEBLN C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S1)c1ccc(F)cc1F ZINC000012529289 518460248 /nfs/dbraw/zinc/46/02/48/518460248.db2.gz AIDXAZBGMRWHBU-FCLYZYNOSA-N 0 2 430.480 3.922 40 30 IHEBLN N#Cc1ccc(Cl)cc1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408538256 555777635 /nfs/dbraw/zinc/77/76/35/555777635.db2.gz ZPUXKNUGPZVWIU-AWEZNQCLSA-N 0 2 445.660 3.576 40 30 IHEBLN C=CCOc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408570124 555913306 /nfs/dbraw/zinc/91/33/06/555913306.db2.gz ZQIJFKGYSLCOSM-BWKHYTDRSA-N 0 2 439.899 3.959 40 30 IHEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408803581 556859834 /nfs/dbraw/zinc/85/98/34/556859834.db2.gz QTQNNZFESRUALR-MHWRWJLKSA-N 0 2 442.855 3.588 40 30 IHEBLN C#CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000408898841 556883671 /nfs/dbraw/zinc/88/36/71/556883671.db2.gz MVNYIVULIQYCSP-RGEXLXHISA-N 0 2 438.867 3.807 40 30 IHEBLN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1O)C1c3ccccc3C2c2ccccc21 ZINC000409160815 556978333 /nfs/dbraw/zinc/97/83/33/556978333.db2.gz JFMNITHTRWYMMQ-CEDSOCQSSA-N 0 2 439.427 3.527 40 30 IHEBLN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1 ZINC000409237829 557019533 /nfs/dbraw/zinc/01/95/33/557019533.db2.gz JARBXWWYSHKJKU-HYARGMPZSA-N 0 2 442.475 3.720 40 30 IHEBLN COC(=O)c1ccc(/N=C2/SC(CC(=O)Nc3ccccc3Cl)C(=O)N2C)cc1 ZINC000101663394 557294707 /nfs/dbraw/zinc/29/47/07/557294707.db2.gz SSXVSABDFLSFIY-JDAKFOBDSA-N 0 2 431.901 3.717 40 30 IHEBLN COC(=O)c1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3Cl)C(=O)N2C)cc1 ZINC000101663394 557294710 /nfs/dbraw/zinc/29/47/10/557294710.db2.gz SSXVSABDFLSFIY-JDAKFOBDSA-N 0 2 431.901 3.717 40 30 IHEBLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(NN=Cc3cc(Br)ccc3O)cc21 ZINC000013590578 523348821 /nfs/dbraw/zinc/34/88/21/523348821.db2.gz VICHZCSQCBNIDR-UYOCIXKTSA-N 0 2 448.248 3.773 40 30 IHEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408786996 556856765 /nfs/dbraw/zinc/85/67/65/556856765.db2.gz ZKTDOVZTVWEBLY-XSFVSMFZSA-N 0 2 432.476 3.963 40 30 IHEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408806976 556859100 /nfs/dbraw/zinc/85/91/00/556859100.db2.gz NUQSYOWJUOQCFV-MHWRWJLKSA-N 0 2 429.259 3.980 40 30 IHEBLN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409294893 557050842 /nfs/dbraw/zinc/05/08/42/557050842.db2.gz PODCSFZVYHGGEH-UHFFFAOYSA-N 0 2 445.273 3.953 40 30 IHEBLN COC(=O)c1ccc(/N=C2/SC(CC(=O)Nc3ccccc3Cl)C(=O)N2C)cc1 ZINC000101663401 557294791 /nfs/dbraw/zinc/29/47/91/557294791.db2.gz SSXVSABDFLSFIY-UMIVRTMYSA-N 0 2 431.901 3.717 40 30 IHEBLN COC(=O)c1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3Cl)C(=O)N2C)cc1 ZINC000101663401 557294794 /nfs/dbraw/zinc/29/47/94/557294794.db2.gz SSXVSABDFLSFIY-UMIVRTMYSA-N 0 2 431.901 3.717 40 30 IHEBLN CCOC(=O)[C@H]1C(C=O)=C(O)c2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000104352668 557325500 /nfs/dbraw/zinc/32/55/00/557325500.db2.gz OSEHBKAFOZEZCG-UUOUJJQOSA-N 0 2 442.464 3.670 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000208453660 569262735 /nfs/dbraw/zinc/26/27/35/569262735.db2.gz WNJJUMHPEBEABO-OQLLNIDSSA-N 0 2 445.258 3.680 40 30 IHEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408535926 555756891 /nfs/dbraw/zinc/75/68/91/555756891.db2.gz PBEAGZLXHOPNKK-JTQLQIEISA-N 0 2 438.640 3.843 40 30 IHEBLN N#Cc1ccc(Cl)cc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408536245 555759869 /nfs/dbraw/zinc/75/98/69/555759869.db2.gz QROTZUOOVLNXOF-AWEZNQCLSA-N 0 2 434.761 3.832 40 30 IHEBLN Cc1[nH]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1[C@@H](c1ccccc1)[C@@H](C#N)C(N)=O ZINC000100586148 556548122 /nfs/dbraw/zinc/54/81/22/556548122.db2.gz NXFGKGXCQVROSM-NRSPTQNISA-N 0 2 443.532 3.866 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1O ZINC000408761543 556687837 /nfs/dbraw/zinc/68/78/37/556687837.db2.gz FSYKMGOYXYHWMM-LFIBNONCSA-N 0 2 441.281 3.858 40 30 IHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000408800994 556858419 /nfs/dbraw/zinc/85/84/19/556858419.db2.gz QXNRQXFXRVQJKW-GXDHUFHOSA-N 0 2 429.259 3.980 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OCC)c3)C2=O)cc(OCC)c1O ZINC000408858832 556871160 /nfs/dbraw/zinc/87/11/60/556871160.db2.gz TUALRUXISZNPSH-XDHOZWIPSA-N 0 2 436.464 3.585 40 30 IHEBLN COC(=O)c1ccc(NC(=O)CC2S/C(=N/c3cccc(Cl)c3)N(C)C2=O)cc1 ZINC000102408118 557301773 /nfs/dbraw/zinc/30/17/73/557301773.db2.gz NWIPZMCACUZTPD-MLVIZHJXSA-N 0 2 431.901 3.717 40 30 IHEBLN COC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(Cl)c3)N(C)C2=O)cc1 ZINC000102408118 557301781 /nfs/dbraw/zinc/30/17/81/557301781.db2.gz NWIPZMCACUZTPD-MLVIZHJXSA-N 0 2 431.901 3.717 40 30 IHEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000012416983 524192514 /nfs/dbraw/zinc/19/25/14/524192514.db2.gz WFPHUUGBQOXUQO-QKDOTCOFSA-N 0 2 448.888 3.847 40 30 IHEBLN COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000012416983 524192524 /nfs/dbraw/zinc/19/25/24/524192524.db2.gz WFPHUUGBQOXUQO-QKDOTCOFSA-N 0 2 448.888 3.847 40 30 IHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000408805296 556860818 /nfs/dbraw/zinc/86/08/18/556860818.db2.gz FXGJKTLANDPHHV-GZTJUZNOSA-N 0 2 426.856 3.970 40 30 IHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408810609 556862440 /nfs/dbraw/zinc/86/24/40/556862440.db2.gz KEWSBJGYAGITHO-NTEUORMPSA-N 0 2 445.258 3.680 40 30 IHEBLN O=C(CSc1nnc(N[NH+]=Cc2ccc(O)cc2)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000020438155 557016969 /nfs/dbraw/zinc/01/69/69/557016969.db2.gz AHYTYCATEAIMHX-LSFURLLWSA-N 0 2 436.419 3.706 40 30 IHEBLN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409301186 557055758 /nfs/dbraw/zinc/05/57/58/557055758.db2.gz DEAFDCLMXNMXGR-UHFFFAOYSA-N 0 2 445.273 3.998 40 30 IHEBLN CCOC(=O)c1ccc(/N=C2/SC(CC(=O)Nc3ccccc3F)C(=O)N2C)cc1 ZINC000101662332 557294725 /nfs/dbraw/zinc/29/47/25/557294725.db2.gz CAWFPQHCQDGRFT-IJCFDHGGSA-N 0 2 429.473 3.593 40 30 IHEBLN CCOC(=O)c1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C)cc1 ZINC000101662332 557294728 /nfs/dbraw/zinc/29/47/28/557294728.db2.gz CAWFPQHCQDGRFT-IJCFDHGGSA-N 0 2 429.473 3.593 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 ZINC000102406767 557301722 /nfs/dbraw/zinc/30/17/22/557301722.db2.gz XVMJJJAQXBETHR-JJEKXKKKSA-N 0 2 443.500 3.983 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 ZINC000102406767 557301728 /nfs/dbraw/zinc/30/17/28/557301728.db2.gz XVMJJJAQXBETHR-JJEKXKKKSA-N 0 2 443.500 3.983 40 30 IHEBLN N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000408910957 569286647 /nfs/dbraw/zinc/28/66/47/569286647.db2.gz MHKUERZNIKAFTQ-CIAFOILYSA-N 0 2 441.418 3.943 40 30 IHEBLN O=C(c1cccs1)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cc([N+](=O)[O-])ccc1O ZINC000085409776 526833143 /nfs/dbraw/zinc/83/31/43/526833143.db2.gz IKOULFQYMGFLKW-AWEZNQCLSA-N 0 2 429.435 3.601 40 30 IHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c1 ZINC000408730948 556187214 /nfs/dbraw/zinc/18/72/14/556187214.db2.gz WVHNLRDXIDECNA-OEAKJJBVSA-N 0 2 437.477 3.798 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000408797197 556857456 /nfs/dbraw/zinc/85/74/56/556857456.db2.gz BTJHRXWRFXQAGY-UKTHLTGXSA-N 0 2 445.258 3.680 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC ZINC000409073161 556946491 /nfs/dbraw/zinc/94/64/91/556946491.db2.gz VHCCIXGRTASAHR-LICLKQGHSA-N 0 2 426.856 3.752 40 30 IHEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1 ZINC000020168747 556994577 /nfs/dbraw/zinc/99/45/77/556994577.db2.gz VBMSUFSAYGEVRT-JOGXUEJDSA-N 0 2 429.473 3.593 40 30 IHEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1 ZINC000020168747 556994581 /nfs/dbraw/zinc/99/45/81/556994581.db2.gz VBMSUFSAYGEVRT-JOGXUEJDSA-N 0 2 429.473 3.593 40 30 IHEBLN C=CCOc1c(Br)cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OCC ZINC000409317080 557060757 /nfs/dbraw/zinc/06/07/57/557060757.db2.gz NWUZCRMMJHUPHW-WAYWQWQTSA-N 0 2 438.234 3.692 40 30 IHEBLN COC(=O)c1ccc(NC(=O)CC2S/C(=N/c3cccc(Cl)c3)N(C)C2=O)cc1 ZINC000102408117 557301792 /nfs/dbraw/zinc/30/17/92/557301792.db2.gz NWIPZMCACUZTPD-AEKNLGIRSA-N 0 2 431.901 3.717 40 30 IHEBLN COC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3)N(C)C2=O)cc1 ZINC000102408117 557301796 /nfs/dbraw/zinc/30/17/96/557301796.db2.gz NWIPZMCACUZTPD-AEKNLGIRSA-N 0 2 431.901 3.717 40 30 IHEBLN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000010009726 568819482 /nfs/dbraw/zinc/81/94/82/568819482.db2.gz ULMVMFWCSCYYSW-UHFFFAOYSA-N 0 2 441.534 3.717 40 30 IHEBLN C#CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000016688881 518322063 /nfs/dbraw/zinc/32/20/63/518322063.db2.gz SWVGVBAIGXPQRB-ATVHPVEESA-N 0 2 435.392 3.512 40 30 IHEBLN CCCOc1ccc(NC(=O)CC2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020595631 520390694 /nfs/dbraw/zinc/39/06/94/520390694.db2.gz BEHQMEBLLCYIHN-WQGFDPGOSA-N 0 2 430.555 3.877 40 30 IHEBLN CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020595631 520390701 /nfs/dbraw/zinc/39/07/01/520390701.db2.gz BEHQMEBLLCYIHN-WQGFDPGOSA-N 0 2 430.555 3.877 40 30 IHEBLN CSc1cc(Cl)c(C)cc1S(=O)(=O)N=C(O)NN=c1cnc2ccccc2[nH]1 ZINC000001857845 555720798 /nfs/dbraw/zinc/72/07/98/555720798.db2.gz WKNBQMJYENHDOP-UHFFFAOYSA-N 0 2 437.934 3.533 40 30 IHEBLN N#Cc1ccc(Cl)cc1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408538257 555777702 /nfs/dbraw/zinc/77/77/02/555777702.db2.gz ZPUXKNUGPZVWIU-CQSZACIVSA-N 0 2 445.660 3.576 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000408805879 556861050 /nfs/dbraw/zinc/86/10/50/556861050.db2.gz IAAFFYSVJBPVEM-MHWRWJLKSA-N 0 2 438.867 3.644 40 30 IHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1 ZINC000408835127 556866990 /nfs/dbraw/zinc/86/69/90/556866990.db2.gz MNJLLQMMQNUOOU-XNTDXEJSSA-N 0 2 442.855 3.588 40 30 IHEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OCC ZINC000408912817 556886574 /nfs/dbraw/zinc/88/65/74/556886574.db2.gz SFCNGSWABPYANC-DEDYPNTBSA-N 0 2 448.450 3.631 40 30 IHEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl ZINC000409058099 556935209 /nfs/dbraw/zinc/93/52/09/556935209.db2.gz RFIUMDRMSDXGHH-RIYZIHGNSA-N 0 2 433.247 3.930 40 30 IHEBLN COc1ccc(NC(=O)CC2S/C(=N/N=C(\C)c3ccc(Cl)cc3)NC2=O)cc1 ZINC000020157642 556993379 /nfs/dbraw/zinc/99/33/79/556993379.db2.gz SOINHQARYFNGSL-KZKMUKRCSA-N 0 2 430.917 3.689 40 30 IHEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C(\C)c3ccc(Cl)cc3)NC2=O)cc1 ZINC000020157642 556993383 /nfs/dbraw/zinc/99/33/83/556993383.db2.gz SOINHQARYFNGSL-KZKMUKRCSA-N 0 2 430.917 3.689 40 30 IHEBLN CCOC(=O)c1ccc(/N=C2/SC(CC(=O)Nc3ccccc3F)C(=O)N2C)cc1 ZINC000101662326 557294810 /nfs/dbraw/zinc/29/48/10/557294810.db2.gz CAWFPQHCQDGRFT-BIBRTQAFSA-N 0 2 429.473 3.593 40 30 IHEBLN CCOC(=O)c1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C)cc1 ZINC000101662326 557294814 /nfs/dbraw/zinc/29/48/14/557294814.db2.gz CAWFPQHCQDGRFT-BIBRTQAFSA-N 0 2 429.473 3.593 40 30 IHEBLN O=C(CC1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O)Nc1ccc(Cl)cc1 ZINC000016713070 568893847 /nfs/dbraw/zinc/89/38/47/568893847.db2.gz BQPWARSAOAVUKD-TVSCDJBNSA-N 0 2 425.901 3.772 40 30 IHEBLN O=C(C[C@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O)Nc1ccc(Cl)cc1 ZINC000016713070 568893848 /nfs/dbraw/zinc/89/38/48/568893848.db2.gz BQPWARSAOAVUKD-TVSCDJBNSA-N 0 2 425.901 3.772 40 30 IHEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCC#N ZINC000108140070 569252501 /nfs/dbraw/zinc/25/25/01/569252501.db2.gz BUEBNAVXKBEDHW-FMIVXFBMSA-N 0 2 446.246 3.571 40 30 IHEBLN CC[NH+](CC)c1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3O)[n-]2)cc1 ZINC000020608681 520914503 /nfs/dbraw/zinc/91/45/03/520914503.db2.gz FAEGLKFFTJWAEL-LPYMAVHISA-N 0 2 439.545 3.533 40 30 IHEBLN CCNC(=O)C[C@@H]1S/C(=N\c2cccc(Cl)c2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000020608897 521738912 /nfs/dbraw/zinc/73/89/12/521738912.db2.gz HEMJLJWUVGFALA-YQMDHOPXSA-N 0 2 445.928 3.727 40 30 IHEBLN CCNC(=O)CC1S/C(=N\c2cccc(Cl)c2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000020608897 521738913 /nfs/dbraw/zinc/73/89/13/521738913.db2.gz HEMJLJWUVGFALA-YQMDHOPXSA-N 0 2 445.928 3.727 40 30 IHEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000012416986 524193612 /nfs/dbraw/zinc/19/36/12/524193612.db2.gz WFPHUUGBQOXUQO-UFIXSJTLSA-N 0 2 448.888 3.847 40 30 IHEBLN COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000012416986 524193622 /nfs/dbraw/zinc/19/36/22/524193622.db2.gz WFPHUUGBQOXUQO-UFIXSJTLSA-N 0 2 448.888 3.847 40 30 IHEBLN C=CCOc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408570126 555913290 /nfs/dbraw/zinc/91/32/90/555913290.db2.gz ZQIJFKGYSLCOSM-NQAVQENRSA-N 0 2 439.899 3.959 40 30 IHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000408815641 556863163 /nfs/dbraw/zinc/86/31/63/556863163.db2.gz XMMNYXUQAHWDEI-OQLLNIDSSA-N 0 2 429.259 3.980 40 30 IHEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000408817831 556864267 /nfs/dbraw/zinc/86/42/67/556864267.db2.gz WJMVQOMLVLNFMT-MHWRWJLKSA-N 0 2 442.855 3.676 40 30 IHEBLN C#CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCCC)cc2)C1=O ZINC000408900326 556882390 /nfs/dbraw/zinc/88/23/90/556882390.db2.gz RYIQJYPEIODBON-QNGOZBTKSA-N 0 2 448.475 3.553 40 30 IHEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccccn2)cc1 ZINC000034762012 568896270 /nfs/dbraw/zinc/89/62/70/568896270.db2.gz MFRJQTDSEAKBLD-HMAPJEAMSA-N 0 2 441.469 3.635 40 30 IHEBLN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408854626 569286700 /nfs/dbraw/zinc/28/67/00/569286700.db2.gz AIKMCNKWOAKVTH-LPYMAVHISA-N 0 2 441.418 3.943 40 30 IHEBLN N#Cc1ccccc1Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21 ZINC000409392131 569287693 /nfs/dbraw/zinc/28/76/93/569287693.db2.gz LIIVVXXMDGDYHV-LPYMAVHISA-N 0 2 447.454 3.623 40 30 IHEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2c(C)cccc2C)S1)c1ccc(F)cc1F ZINC000012529290 518460295 /nfs/dbraw/zinc/46/02/95/518460295.db2.gz AIDXAZBGMRWHBU-ROCQKPIASA-N 0 2 430.480 3.922 40 30 IHEBLN C/C(=N\N=C1/NC(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S1)c1ccc(F)cc1F ZINC000012529290 518460302 /nfs/dbraw/zinc/46/03/02/518460302.db2.gz AIDXAZBGMRWHBU-ROCQKPIASA-N 0 2 430.480 3.922 40 30 IHEBLN C=CCOc1ccc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408566852 555910365 /nfs/dbraw/zinc/91/03/65/555910365.db2.gz PNCQMBCQSMEGCO-PJGWKRMOSA-N 0 2 449.507 3.705 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1O ZINC000408771096 556846643 /nfs/dbraw/zinc/84/66/43/556846643.db2.gz DEILVVUTSQNYLY-GZTJUZNOSA-N 0 2 426.856 3.839 40 30 IHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408807866 556861412 /nfs/dbraw/zinc/86/14/12/556861412.db2.gz LGFVNMXMJUTMTR-FOWTUZBSSA-N 0 2 427.254 3.680 40 30 IHEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1Cl ZINC000408899788 556881940 /nfs/dbraw/zinc/88/19/40/556881940.db2.gz QHLJKOUMMROION-AQTBWJFISA-N 0 2 438.867 3.807 40 30 IHEBLN C=CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000408897282 556883035 /nfs/dbraw/zinc/88/30/35/556883035.db2.gz ISLJIOYKYIAVOT-ZHZULCJRSA-N 0 2 436.464 3.715 40 30 IHEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1OC ZINC000408897902 556883255 /nfs/dbraw/zinc/88/32/55/556883255.db2.gz JNUPBOZZAGEBPI-HKWRFOASSA-N 0 2 448.475 3.553 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl ZINC000409045664 556930387 /nfs/dbraw/zinc/93/03/87/556930387.db2.gz GVQRCPUVLZRHKQ-OQLLNIDSSA-N 0 2 445.258 3.680 40 30 IHEBLN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000409319898 557059258 /nfs/dbraw/zinc/05/92/58/557059258.db2.gz NHWRFYPSDAXJRY-UHFFFAOYSA-N 0 2 431.246 3.608 40 30 IHEBLN CCc1nnc(C2=C(O)C(=Cc3cc(Br)c(O)c(OC)c3)SC2=N)s1 ZINC000107687842 569262264 /nfs/dbraw/zinc/26/22/64/569262264.db2.gz KJLHXADBMLGTNJ-JXWOKWDKSA-N 0 2 440.344 3.995 40 30 IHEBLN C=CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl ZINC000408570125 555913283 /nfs/dbraw/zinc/91/32/83/555913283.db2.gz ZQIJFKGYSLCOSM-DEXHYYOUSA-N 0 2 439.899 3.959 40 30 IHEBLN CCc1nnc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(OC)cc3)cc2)s1 ZINC000006075718 556828179 /nfs/dbraw/zinc/82/81/79/556828179.db2.gz QCXRLAJFDWFHFQ-OUKQBFOZSA-N 0 2 444.538 3.718 40 30 IHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408800392 556858053 /nfs/dbraw/zinc/85/80/53/556858053.db2.gz OVBWOKZBTBTFSV-FOWTUZBSSA-N 0 2 438.867 3.726 40 30 IHEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408802012 556858897 /nfs/dbraw/zinc/85/88/97/556858897.db2.gz XVJYBROBQAHRHA-MHWRWJLKSA-N 0 2 429.259 3.980 40 30 IHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl ZINC000408808129 556861430 /nfs/dbraw/zinc/86/14/30/556861430.db2.gz FCRYWDPGDUZONK-OQLLNIDSSA-N 0 2 429.259 3.980 40 30 IHEBLN C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000408816124 556863593 /nfs/dbraw/zinc/86/35/93/556863593.db2.gz SOFYUYYTJNYIRS-FOWTUZBSSA-N 0 2 441.281 3.989 40 30 IHEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408983355 556908224 /nfs/dbraw/zinc/90/82/24/556908224.db2.gz LODCXWVLIUCQHO-YBEGLDIGSA-N 0 2 426.856 3.888 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc(OCC)c1O ZINC000409242575 557032569 /nfs/dbraw/zinc/03/25/69/557032569.db2.gz OUEGLHDXCKZCPG-GHRIWEEISA-N 0 2 436.464 3.585 40 30 IHEBLN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000409306888 557059087 /nfs/dbraw/zinc/05/90/87/557059087.db2.gz RAVNMELLXUSGDP-UHFFFAOYSA-N 0 2 431.246 3.778 40 30 IHEBLN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1 ZINC000409391486 557096175 /nfs/dbraw/zinc/09/61/75/557096175.db2.gz IEWSEXASATYRPB-PXLXIMEGSA-N 0 2 442.475 3.720 40 30 IHEBLN N#CCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000059135682 557815610 /nfs/dbraw/zinc/81/56/10/557815610.db2.gz BIIFVHDXHQQVBW-XNTDXEJSSA-N 0 2 444.216 3.997 40 30 IHEBLN N#Cc1ccc(Cl)cc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408536247 555759819 /nfs/dbraw/zinc/75/98/19/555759819.db2.gz QROTZUOOVLNXOF-CQSZACIVSA-N 0 2 434.761 3.832 40 30 IHEBLN C=CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl ZINC000408570127 555913295 /nfs/dbraw/zinc/91/32/95/555913295.db2.gz ZQIJFKGYSLCOSM-SQMWVJLWSA-N 0 2 439.899 3.959 40 30 IHEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(I)o3)SC2=N)s1 ZINC000136833342 556722532 /nfs/dbraw/zinc/72/25/32/556722532.db2.gz MANRBWIVXJWPGR-XHUYASQHSA-N 0 2 431.280 3.716 40 30 IHEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC#N ZINC000408778935 556854102 /nfs/dbraw/zinc/85/41/02/556854102.db2.gz ZTIYVJFZJJFKEE-MHWRWJLKSA-N 0 2 439.855 3.616 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408810544 556862188 /nfs/dbraw/zinc/86/21/88/556862188.db2.gz UAUPTQMSDGDFRI-OVCLIPMQSA-N 0 2 445.258 3.680 40 30 IHEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OC ZINC000408912457 556886348 /nfs/dbraw/zinc/88/63/48/556886348.db2.gz QUWMPTXXBHJQNC-OVCLIPMQSA-N 0 2 430.819 3.719 40 30 IHEBLN C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000409039656 556928153 /nfs/dbraw/zinc/92/81/53/556928153.db2.gz CVCSOAUCYXTADV-OQLLNIDSSA-N 0 2 433.222 3.811 40 30 IHEBLN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1O ZINC000409287577 557051414 /nfs/dbraw/zinc/05/14/14/557051414.db2.gz WUZWGIRJARAZPS-UHFFFAOYSA-N 0 2 431.246 3.778 40 30 IHEBLN Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@H](c1ccccc1)[C@@H](C#N)C(N)=O ZINC000100558294 557264552 /nfs/dbraw/zinc/26/45/52/557264552.db2.gz ZSMJMWVWOVVAPT-YLJYHZDGSA-N 0 2 429.505 3.767 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3cccc(F)c3)N(CC)C2=O)cc1 ZINC000101602121 557294139 /nfs/dbraw/zinc/29/41/39/557294139.db2.gz PIWPBQSNZKDTAY-IWZUTMLHSA-N 0 2 443.500 3.983 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(F)c3)N(CC)C2=O)cc1 ZINC000101602121 557294140 /nfs/dbraw/zinc/29/41/40/557294140.db2.gz PIWPBQSNZKDTAY-IWZUTMLHSA-N 0 2 443.500 3.983 40 30 IHEBLN O=C(c1cccs1)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cc([N+](=O)[O-])ccc1O ZINC000085409773 526834322 /nfs/dbraw/zinc/83/43/22/526834322.db2.gz IKOULFQYMGFLKW-CQSZACIVSA-N 0 2 429.435 3.601 40 30 IHEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1ccc(Br)c(Cl)c1 ZINC000408534833 555755310 /nfs/dbraw/zinc/75/53/10/555755310.db2.gz MQCJRCOJGFSIIP-SNVBAGLBSA-N 0 2 438.640 3.843 40 30 IHEBLN COc1cc(CN=Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc(Br)c1O ZINC000003961757 555951721 /nfs/dbraw/zinc/95/17/21/555951721.db2.gz QBRJXDHGSFAOSB-ZVBGSRNCSA-N 0 2 449.692 3.809 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCC#N ZINC000408772876 556847990 /nfs/dbraw/zinc/84/79/90/556847990.db2.gz IRWVLFFNSQFGHA-XSFVSMFZSA-N 0 2 445.475 3.691 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408809010 556861569 /nfs/dbraw/zinc/86/15/69/556861569.db2.gz GRCMRNYNGDLLEK-LICLKQGHSA-N 0 2 438.867 3.644 40 30 IHEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000409064739 556941135 /nfs/dbraw/zinc/94/11/35/556941135.db2.gz FRLOXDUAFWMARS-XSFVSMFZSA-N 0 2 448.475 3.664 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1O ZINC000409076015 556943776 /nfs/dbraw/zinc/94/37/76/556943776.db2.gz WNNDTZBXHUPEID-XNTDXEJSSA-N 0 2 426.856 3.758 40 30 IHEBLN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1O ZINC000409306479 557058809 /nfs/dbraw/zinc/05/88/09/557058809.db2.gz PXHPBPSCTUEDSF-UHFFFAOYSA-N 0 2 445.273 3.953 40 30 IHEBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccccc3C#N)o2)C1=O ZINC000409220971 569287384 /nfs/dbraw/zinc/28/73/84/569287384.db2.gz IQYPPLJERASFOZ-QGOAFFKASA-N 0 2 427.416 3.883 40 30 IHEBLN C=CCOc1ccc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408566851 555910400 /nfs/dbraw/zinc/91/04/00/555910400.db2.gz PNCQMBCQSMEGCO-JWMZNBFRSA-N 0 2 449.507 3.705 40 30 IHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000408799734 556857850 /nfs/dbraw/zinc/85/78/50/556857850.db2.gz IDJMMFNQDHXGPZ-MHWRWJLKSA-N 0 2 426.856 3.888 40 30 IHEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000408802331 556859338 /nfs/dbraw/zinc/85/93/38/556859338.db2.gz ZERKJQHVWXFOGX-RCCKNPSSSA-N 0 2 426.428 3.527 40 30 IHEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000408811069 556862406 /nfs/dbraw/zinc/86/24/06/556862406.db2.gz KYQOJYULEYFYKA-CJLVFECKSA-N 0 2 440.455 3.917 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OCC#N ZINC000408854443 556871694 /nfs/dbraw/zinc/87/16/94/556871694.db2.gz FXTJUKPHAMWUIM-DEDYPNTBSA-N 0 2 445.475 3.609 40 30 IHEBLN C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000409045798 556930624 /nfs/dbraw/zinc/93/06/24/556930624.db2.gz IBAZEWXUTLQFQM-OQLLNIDSSA-N 0 2 433.247 3.930 40 30 IHEBLN Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@H](c1ccccc1)[C@@H](C#N)C(N)=O ZINC000018209178 557496980 /nfs/dbraw/zinc/49/69/80/557496980.db2.gz FMCMZHJTXJQQCN-MISYRCLQSA-N 0 2 429.505 3.558 40 30 IHEBLN O=C(CC1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O)Nc1ccc(Cl)cc1 ZINC000001452130 569211169 /nfs/dbraw/zinc/21/11/69/569211169.db2.gz BQPWARSAOAVUKD-HPMPDSITSA-N 0 2 425.901 3.772 40 30 IHEBLN O=C(C[C@@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O)Nc1ccc(Cl)cc1 ZINC000001452130 569211171 /nfs/dbraw/zinc/21/11/71/569211171.db2.gz BQPWARSAOAVUKD-HPMPDSITSA-N 0 2 425.901 3.772 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 ZINC000102406764 521501622 /nfs/dbraw/zinc/50/16/22/521501622.db2.gz XVMJJJAQXBETHR-IWZUTMLHSA-N 0 2 443.500 3.983 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 ZINC000102406764 521501633 /nfs/dbraw/zinc/50/16/33/521501633.db2.gz XVMJJJAQXBETHR-IWZUTMLHSA-N 0 2 443.500 3.983 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000408778490 556853745 /nfs/dbraw/zinc/85/37/45/556853745.db2.gz GIVJTVPULLOERS-GZTJUZNOSA-N 0 2 426.856 3.752 40 30 IHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408799155 556857733 /nfs/dbraw/zinc/85/77/33/556857733.db2.gz JVPAUWLQZIJDKT-GZTJUZNOSA-N 0 2 438.867 3.726 40 30 IHEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Br ZINC000408883867 556877806 /nfs/dbraw/zinc/87/78/06/556877806.db2.gz RNVDAYVRGHQSQY-RAXLEYEMSA-N 0 2 445.244 3.819 40 30 IHEBLN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1O)C1c3ccccc3C2c2ccccc21 ZINC000409160818 556978423 /nfs/dbraw/zinc/97/84/23/556978423.db2.gz JFMNITHTRWYMMQ-VFHOGBNHSA-N 0 2 439.427 3.527 40 30 IHEBLN O=C1c2ccccc2C(=O)C(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)=C1Cl ZINC000003954006 562939898 /nfs/dbraw/zinc/93/98/98/562939898.db2.gz QRPKNPKHGNUFGK-UHFFFAOYSA-N 0 2 439.880 3.824 40 30 in-vivo IHEBLN CCc1nnc(C2=C(O)C(=Cc3cc(Br)c(O)c(OC)c3)SC2=N)s1 ZINC000138325312 569262670 /nfs/dbraw/zinc/26/26/70/569262670.db2.gz KJLHXADBMLGTNJ-CBFBWWQMSA-N 0 2 440.344 3.995 40 30 IHEBLN N#Cc1ccccc1Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c2ccccc21 ZINC000409249671 569287435 /nfs/dbraw/zinc/28/74/35/569287435.db2.gz VCISWOWCMFVXOM-WSDLNYQXSA-N 0 2 447.454 3.623 40 30 IHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408804052 556859933 /nfs/dbraw/zinc/85/99/33/556859933.db2.gz VIKCKYVRSLBBNT-RVDMUPIBSA-N 0 2 426.856 3.888 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3cccc(F)c3)N(C)C2=O)cc1 ZINC000101588738 557294133 /nfs/dbraw/zinc/29/41/33/557294133.db2.gz QGEZTGRZZWNTAY-LWYOUWALSA-N 0 2 429.473 3.593 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(F)c3)N(C)C2=O)cc1 ZINC000101588738 557294134 /nfs/dbraw/zinc/29/41/34/557294134.db2.gz QGEZTGRZZWNTAY-LWYOUWALSA-N 0 2 429.473 3.593 40 30 IHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Br ZINC000014132679 557421522 /nfs/dbraw/zinc/42/15/22/557421522.db2.gz NIQFPAUABOSORD-RVDMUPIBSA-N 0 2 441.281 3.989 40 30 IHEBLN Brc1ccc(C=N[N-]c2nc(Nc3ccccc3)nc(N3CCCCC3)[nH+]2)o1 ZINC000408725396 556155662 /nfs/dbraw/zinc/15/56/62/556155662.db2.gz FUCCSGXKQOKWAE-FYJGNVAPSA-N 0 2 442.321 3.829 40 30 IHEBLN CCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000408911738 556888462 /nfs/dbraw/zinc/88/84/62/556888462.db2.gz OGJJYGCERNKKGU-OUYOUGTCSA-N 0 2 427.438 3.711 40 30 IHEBLN COCCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(OC)cc1 ZINC000408964423 556902224 /nfs/dbraw/zinc/90/22/24/556902224.db2.gz RLHAYMZJORWEKV-MORMLQEESA-N 0 2 429.454 3.559 40 30 IHEBLN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](c2cccc4ccccc42)[C@H](C#N)C(=O)N3)cc1 ZINC000019961546 556955226 /nfs/dbraw/zinc/95/52/26/556955226.db2.gz HKHLTMQFSFLZGB-PMACEKPBSA-N 0 2 437.459 3.899 40 30 IHEBLN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](c2cccc4ccccc42)C(C#N)C(=O)N3)cc1 ZINC000019961546 556955229 /nfs/dbraw/zinc/95/52/29/556955229.db2.gz HKHLTMQFSFLZGB-PMACEKPBSA-N 0 2 437.459 3.899 40 30 IHEBLN CC(=[NH+]Nc1nnc(SCC(=O)NCCc2ccccc2Cl)[n-]1)c1ccccc1 ZINC000020159859 556993458 /nfs/dbraw/zinc/99/34/58/556993458.db2.gz XPPVSIIRRXPMKR-ZVHZXABRSA-N 0 2 428.949 3.745 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3cccc(F)c3)N(C)C2=O)cc1 ZINC000101588745 557294129 /nfs/dbraw/zinc/29/41/29/557294129.db2.gz QGEZTGRZZWNTAY-NPNYCVGBSA-N 0 2 429.473 3.593 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(F)c3)N(C)C2=O)cc1 ZINC000101588745 557294130 /nfs/dbraw/zinc/29/41/30/557294130.db2.gz QGEZTGRZZWNTAY-NPNYCVGBSA-N 0 2 429.473 3.593 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3cccc(F)c3)N(CC)C2=O)cc1 ZINC000101602127 557294166 /nfs/dbraw/zinc/29/41/66/557294166.db2.gz PIWPBQSNZKDTAY-JJEKXKKKSA-N 0 2 443.500 3.983 40 30 IHEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(F)c3)N(CC)C2=O)cc1 ZINC000101602127 557294168 /nfs/dbraw/zinc/29/41/68/557294168.db2.gz PIWPBQSNZKDTAY-JJEKXKKKSA-N 0 2 443.500 3.983 40 30 IHEBLN CCOC(=O)[C@@H]1C(C=O)=C(O)c2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000104352676 557325509 /nfs/dbraw/zinc/32/55/09/557325509.db2.gz OSEHBKAFOZEZCG-CNVRUSDMSA-N 0 2 442.464 3.670 40 30 IHEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccccn2)cc1 ZINC000009440532 569296344 /nfs/dbraw/zinc/29/63/44/569296344.db2.gz MFRJQTDSEAKBLD-HYARGMPZSA-N 0 2 441.469 3.635 40 30 IHEBLN Cc1[nH]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1[C@H](c1ccccc1)[C@@H](C#N)C(N)=O ZINC000013400012 520899111 /nfs/dbraw/zinc/89/91/11/520899111.db2.gz NXFGKGXCQVROSM-HMXCVIKNSA-N 0 2 443.532 3.866 40 30 IHEBLN C=CCOc1ccc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408566853 555910409 /nfs/dbraw/zinc/91/04/09/555910409.db2.gz PNCQMBCQSMEGCO-UUMRBEHKSA-N 0 2 449.507 3.705 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCC#N ZINC000408785279 556855832 /nfs/dbraw/zinc/85/58/32/556855832.db2.gz XXEPLHPQWHGXRV-DEDYPNTBSA-N 0 2 445.475 3.609 40 30 IHEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000408781796 556856001 /nfs/dbraw/zinc/85/60/01/556856001.db2.gz DSONOGWJJNXTDO-KGENOOAVSA-N 0 2 444.487 3.719 40 30 IHEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC#N)c(Cl)c3)C2=O)cc1 ZINC000408787949 556856741 /nfs/dbraw/zinc/85/67/41/556856741.db2.gz BFZYFVDPUZQPOR-RIYZIHGNSA-N 0 2 430.247 3.871 40 30 IHEBLN C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408797184 556857588 /nfs/dbraw/zinc/85/75/88/556857588.db2.gz BQVYDRLBJQZOHF-SFQUDFHCSA-N 0 2 441.281 3.989 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000408804330 556860289 /nfs/dbraw/zinc/86/02/89/556860289.db2.gz XPSZMIZJTDFMRY-MHWRWJLKSA-N 0 2 438.867 3.644 40 30 IHEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408805764 556860873 /nfs/dbraw/zinc/86/08/73/556860873.db2.gz HLXBYANMQXLKMT-LFIBNONCSA-N 0 2 426.856 3.970 40 30 IHEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408940898 556896588 /nfs/dbraw/zinc/89/65/88/556896588.db2.gz VNCREMPGSHVCJA-ATVHPVEESA-N 0 2 427.254 3.680 40 30 IHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1O ZINC000409070964 556945275 /nfs/dbraw/zinc/94/52/75/556945275.db2.gz ZTPCTVOMTPKWED-RVDMUPIBSA-N 0 2 426.856 3.839 40 30 IHEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OCC ZINC000014133050 557421531 /nfs/dbraw/zinc/42/15/31/557421531.db2.gz BJRSZVVXZRWXPS-LFIBNONCSA-N 0 2 438.867 3.726 40 30 IHEBLN