smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000033695204 527089221 /nfs/dbraw/zinc/08/92/21/527089221.db2.gz VMJHPBIYEYZNKD-BZDHPDOMSA-N 1 2 452.854 2.679 40 5 JFBBLO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000033695204 527089226 /nfs/dbraw/zinc/08/92/26/527089226.db2.gz VMJHPBIYEYZNKD-BZDHPDOMSA-N 1 2 452.854 2.679 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000009109611 554898095 /nfs/dbraw/zinc/89/80/95/554898095.db2.gz VPOUDYAYYVYREA-SYSFZUQMSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000009109611 554898096 /nfs/dbraw/zinc/89/80/96/554898096.db2.gz VPOUDYAYYVYREA-SYSFZUQMSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000035855327 569716877 /nfs/dbraw/zinc/71/68/77/569716877.db2.gz USCULKINFPUYRF-WCGJNUNOSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000035855327 569716878 /nfs/dbraw/zinc/71/68/78/569716878.db2.gz USCULKINFPUYRF-WCGJNUNOSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@H]2C(=O)c1ccc(F)cc1 ZINC000036322387 569763354 /nfs/dbraw/zinc/76/33/54/569763354.db2.gz MAJKJAPXJXDIHT-OBZTUIKSSA-N 1 2 453.426 2.578 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@H]2C(=O)c1ccc(F)cc1 ZINC000036322387 569763356 /nfs/dbraw/zinc/76/33/56/569763356.db2.gz MAJKJAPXJXDIHT-OBZTUIKSSA-N 1 2 453.426 2.578 40 5 JFBBLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000101091419 569782167 /nfs/dbraw/zinc/78/21/67/569782167.db2.gz UBKHXCURLBAGHX-BZDHPDOMSA-N 1 2 497.305 2.789 40 5 JFBBLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000101091419 569782169 /nfs/dbraw/zinc/78/21/69/569782169.db2.gz UBKHXCURLBAGHX-BZDHPDOMSA-N 1 2 497.305 2.789 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000104026488 569840032 /nfs/dbraw/zinc/84/00/32/569840032.db2.gz CONYIHALNVAMEH-BKJGLDIHSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000104026488 569840033 /nfs/dbraw/zinc/84/00/33/569840033.db2.gz CONYIHALNVAMEH-BKJGLDIHSA-N 1 2 496.907 2.996 40 5 JFBBLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000015989007 556101948 /nfs/dbraw/zinc/10/19/48/556101948.db2.gz UBKHXCURLBAGHX-VDNWNZSNSA-N 1 2 497.305 2.789 40 5 JFBBLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000015989007 556101949 /nfs/dbraw/zinc/10/19/49/556101949.db2.gz UBKHXCURLBAGHX-VDNWNZSNSA-N 1 2 497.305 2.789 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000035855650 569716977 /nfs/dbraw/zinc/71/69/77/569716977.db2.gz PGDFJUILCHRCGT-VEBYGKHWSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000035855650 569716979 /nfs/dbraw/zinc/71/69/79/569716979.db2.gz PGDFJUILCHRCGT-VEBYGKHWSA-N 1 2 496.907 2.996 40 5 JFBBLO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000104014245 569839852 /nfs/dbraw/zinc/83/98/52/569839852.db2.gz RJSPVCNTWNJCJX-NWFVXXGESA-N 1 2 466.881 2.988 40 5 JFBBLO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000104014245 569839853 /nfs/dbraw/zinc/83/98/53/569839853.db2.gz RJSPVCNTWNJCJX-NWFVXXGESA-N 1 2 466.881 2.988 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000104058099 569840304 /nfs/dbraw/zinc/84/03/04/569840304.db2.gz NQGWQFJZOSDLMT-WCGJNUNOSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000104058099 569840305 /nfs/dbraw/zinc/84/03/05/569840305.db2.gz NQGWQFJZOSDLMT-WCGJNUNOSA-N 1 2 496.907 2.996 40 5 JFBBLO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3c1cccc3Cl)[N@H+]1CCC[C@@H]21 ZINC000009359373 555123068 /nfs/dbraw/zinc/12/30/68/555123068.db2.gz HUESUTSWNOZRIV-AEFRCRGFSA-N 1 2 466.881 2.988 40 5 JFBBLO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3c1cccc3Cl)[N@@H+]1CCC[C@@H]21 ZINC000009359373 555123070 /nfs/dbraw/zinc/12/30/70/555123070.db2.gz HUESUTSWNOZRIV-AEFRCRGFSA-N 1 2 466.881 2.988 40 5 JFBBLO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O ZINC000033880087 569636860 /nfs/dbraw/zinc/63/68/60/569636860.db2.gz ZFYMCGQGYJNKQI-GKAYAJSDSA-N 1 2 466.881 2.988 40 5 JFBBLO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O ZINC000033880087 569636861 /nfs/dbraw/zinc/63/68/61/569636861.db2.gz ZFYMCGQGYJNKQI-GKAYAJSDSA-N 1 2 466.881 2.988 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@H]2C1=O ZINC000035851829 569716788 /nfs/dbraw/zinc/71/67/88/569716788.db2.gz VPOUDYAYYVYREA-VEBYGKHWSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@H]2C1=O ZINC000035851829 569716790 /nfs/dbraw/zinc/71/67/90/569716790.db2.gz VPOUDYAYYVYREA-VEBYGKHWSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@H]2C(=O)c1ccc(F)cc1 ZINC000036322248 569763416 /nfs/dbraw/zinc/76/34/16/569763416.db2.gz XAGOVIIYDMIJNK-AFYVEPGGSA-N 1 2 453.426 2.578 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@H]2C(=O)c1ccc(F)cc1 ZINC000036322248 569763417 /nfs/dbraw/zinc/76/34/17/569763417.db2.gz XAGOVIIYDMIJNK-AFYVEPGGSA-N 1 2 453.426 2.578 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000102557740 569814285 /nfs/dbraw/zinc/81/42/85/569814285.db2.gz PGDFJUILCHRCGT-JQGROFRJSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000102557740 569814287 /nfs/dbraw/zinc/81/42/87/569814287.db2.gz PGDFJUILCHRCGT-JQGROFRJSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O ZINC000009487766 525466742 /nfs/dbraw/zinc/46/67/42/525466742.db2.gz MAJKJAPXJXDIHT-NMLACTOBSA-N 1 2 453.426 2.578 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O ZINC000009487766 525466753 /nfs/dbraw/zinc/46/67/53/525466753.db2.gz MAJKJAPXJXDIHT-NMLACTOBSA-N 1 2 453.426 2.578 40 5 JFBBLO COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(Cl)cc42)[N@H+]2CCC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000009329411 555100284 /nfs/dbraw/zinc/10/02/84/555100284.db2.gz AVUFFTGHFWROBV-YTCTWSIISA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(Cl)cc42)[N@@H+]2CCC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000009329411 555100285 /nfs/dbraw/zinc/10/02/85/555100285.db2.gz AVUFFTGHFWROBV-YTCTWSIISA-N 1 2 496.907 2.996 40 5 JFBBLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000035828563 569712736 /nfs/dbraw/zinc/71/27/36/569712736.db2.gz LJCPYQFAQWHSSQ-YQYRJILISA-N 1 2 466.881 2.988 40 5 JFBBLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000035828563 569712737 /nfs/dbraw/zinc/71/27/37/569712737.db2.gz LJCPYQFAQWHSSQ-YQYRJILISA-N 1 2 466.881 2.988 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@H]2C1=O ZINC000035851749 569716624 /nfs/dbraw/zinc/71/66/24/569716624.db2.gz ZTNHJNDQYSIEMK-WCGJNUNOSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@H]2C1=O ZINC000035851749 569716625 /nfs/dbraw/zinc/71/66/25/569716625.db2.gz ZTNHJNDQYSIEMK-WCGJNUNOSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@H]2C1=O ZINC000102560179 569814260 /nfs/dbraw/zinc/81/42/60/569814260.db2.gz ZTNHJNDQYSIEMK-OQVWYGCZSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@H]2C1=O ZINC000102560179 569814261 /nfs/dbraw/zinc/81/42/61/569814261.db2.gz ZTNHJNDQYSIEMK-OQVWYGCZSA-N 1 2 496.907 2.996 40 5 JFBBLO Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3c1cccc3Cl)[N@H+]1CCC[C@@H]21 ZINC000009109231 554897684 /nfs/dbraw/zinc/89/76/84/554897684.db2.gz HXHJKSAGDAVPCL-DWKCODDLSA-N 1 2 466.881 2.988 40 5 JFBBLO Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3c1cccc3Cl)[N@@H+]1CCC[C@@H]21 ZINC000009109231 554897685 /nfs/dbraw/zinc/89/76/85/554897685.db2.gz HXHJKSAGDAVPCL-DWKCODDLSA-N 1 2 466.881 2.988 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000016010164 556109369 /nfs/dbraw/zinc/10/93/69/556109369.db2.gz ZTNHJNDQYSIEMK-RSOWOLOUSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000016010164 556109373 /nfs/dbraw/zinc/10/93/73/556109373.db2.gz ZTNHJNDQYSIEMK-RSOWOLOUSA-N 1 2 496.907 2.996 40 5 JFBBLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000104021452 569839881 /nfs/dbraw/zinc/83/98/81/569839881.db2.gz LJCPYQFAQWHSSQ-ZQDYSYBYSA-N 1 2 466.881 2.988 40 5 JFBBLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000104021452 569839882 /nfs/dbraw/zinc/83/98/82/569839882.db2.gz LJCPYQFAQWHSSQ-ZQDYSYBYSA-N 1 2 466.881 2.988 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000104026483 569839993 /nfs/dbraw/zinc/83/99/93/569839993.db2.gz CONYIHALNVAMEH-VEBYGKHWSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000104026483 569839995 /nfs/dbraw/zinc/83/99/95/569839995.db2.gz CONYIHALNVAMEH-VEBYGKHWSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cccc2Cl ZINC000104072194 569840382 /nfs/dbraw/zinc/84/03/82/569840382.db2.gz NTYYQZXCVKCKOM-ZLAJIECUSA-N 1 2 482.880 2.688 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cccc2Cl ZINC000104072194 569840383 /nfs/dbraw/zinc/84/03/83/569840383.db2.gz NTYYQZXCVKCKOM-ZLAJIECUSA-N 1 2 482.880 2.688 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)[N@H+]1CCC[C@@H]21 ZINC000009012482 554864851 /nfs/dbraw/zinc/86/48/51/554864851.db2.gz XAGOVIIYDMIJNK-FFGOWVMKSA-N 1 2 453.426 2.578 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]21 ZINC000009012482 554864852 /nfs/dbraw/zinc/86/48/52/554864852.db2.gz XAGOVIIYDMIJNK-FFGOWVMKSA-N 1 2 453.426 2.578 40 5 JFBBLO COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c2cccc4Cl)[N@H+]2CCC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000009328504 555099135 /nfs/dbraw/zinc/09/91/35/555099135.db2.gz ZMTLKOZTVDKFKY-GKUBODSPSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c2cccc4Cl)[N@@H+]2CCC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000009328504 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COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000016012666 556111761 /nfs/dbraw/zinc/11/17/61/556111761.db2.gz USCULKINFPUYRF-RSOWOLOUSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] ZINC000035840446 569713838 /nfs/dbraw/zinc/71/38/38/569713838.db2.gz AVUFFTGHFWROBV-BBOHXYNISA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] ZINC000035840446 569713839 /nfs/dbraw/zinc/71/38/39/569713839.db2.gz AVUFFTGHFWROBV-BBOHXYNISA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000102561685 569814247 /nfs/dbraw/zinc/81/42/47/569814247.db2.gz USCULKINFPUYRF-OQVWYGCZSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000102561685 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COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000033667652 525466822 /nfs/dbraw/zinc/46/68/22/525466822.db2.gz NQGWQFJZOSDLMT-PAXILDSZSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000033667652 525466826 /nfs/dbraw/zinc/46/68/26/525466826.db2.gz NQGWQFJZOSDLMT-PAXILDSZSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000016000105 556104664 /nfs/dbraw/zinc/10/46/64/556104664.db2.gz CONYIHALNVAMEH-JQGROFRJSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000016000105 556104667 /nfs/dbraw/zinc/10/46/67/556104667.db2.gz CONYIHALNVAMEH-JQGROFRJSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000016001802 556106691 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O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000096839678 569743287 /nfs/dbraw/zinc/74/32/87/569743287.db2.gz SBQMKEFZFIFYDD-DBHNTLKXSA-N 1 2 452.854 2.679 40 5 JFBBLO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000104013037 569839902 /nfs/dbraw/zinc/83/99/02/569839902.db2.gz ZJCOKKWMBTWXAE-PEOGOYOCSA-N 1 2 452.854 2.679 40 5 JFBBLO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000104013037 569839903 /nfs/dbraw/zinc/83/99/03/569839903.db2.gz ZJCOKKWMBTWXAE-PEOGOYOCSA-N 1 2 452.854 2.679 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O ZINC000217583784 569880348 /nfs/dbraw/zinc/88/03/48/569880348.db2.gz MAJKJAPXJXDIHT-XCLNPWKQSA-N 1 2 453.426 2.578 40 5 JFBBLO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O ZINC000217583784 569880349 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/nfs/dbraw/zinc/71/27/45/569712745.db2.gz FKCXLLTVIVGIAX-LPSTTYAQSA-N 1 2 482.880 2.688 40 5 JFBBLO Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(Cl)cc31)[N@H+]1CCC[C@@H]21 ZINC000104073552 569840401 /nfs/dbraw/zinc/84/04/01/569840401.db2.gz YEGUMIDOSIKMCP-KEXUJGGDSA-N 1 2 466.881 2.988 40 5 JFBBLO Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(Cl)cc31)[N@@H+]1CCC[C@@H]21 ZINC000104073552 569840402 /nfs/dbraw/zinc/84/04/02/569840402.db2.gz YEGUMIDOSIKMCP-KEXUJGGDSA-N 1 2 466.881 2.988 40 5 JFBBLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(Cl)cc42)[N@H+]2CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000009288120 555061713 /nfs/dbraw/zinc/06/17/13/555061713.db2.gz LJCPYQFAQWHSSQ-YRAONVGVSA-N 1 2 466.881 2.988 40 5 JFBBLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(Cl)cc42)[N@@H+]2CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000009288120 555061714 /nfs/dbraw/zinc/06/17/14/555061714.db2.gz LJCPYQFAQWHSSQ-YRAONVGVSA-N 1 2 466.881 2.988 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000016010362 556110119 /nfs/dbraw/zinc/11/01/19/556110119.db2.gz VPOUDYAYYVYREA-BKJGLDIHSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000016010362 556110120 /nfs/dbraw/zinc/11/01/20/556110120.db2.gz VPOUDYAYYVYREA-BKJGLDIHSA-N 1 2 496.907 2.996 40 5 JFBBLO Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O ZINC000018166840 556297373 /nfs/dbraw/zinc/29/73/73/556297373.db2.gz YEGUMIDOSIKMCP-GKAYAJSDSA-N 1 2 466.881 2.988 40 5 JFBBLO Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O ZINC000018166840 556297374 /nfs/dbraw/zinc/29/73/74/556297374.db2.gz YEGUMIDOSIKMCP-GKAYAJSDSA-N 1 2 466.881 2.988 40 5 JFBBLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000101091401 569782118 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O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000104011704 569839900 /nfs/dbraw/zinc/83/99/00/569839900.db2.gz VMJHPBIYEYZNKD-QSNWEANLSA-N 1 2 452.854 2.679 40 5 JFBBLO COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)c(C)cc1[N+](=O)[O-] ZINC000104074994 569840405 /nfs/dbraw/zinc/84/04/05/569840405.db2.gz AVUFFTGHFWROBV-BNVGKWPLSA-N 1 2 496.907 2.996 40 5 JFBBLO COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)c(C)cc1[N+](=O)[O-] ZINC000104074994 569840406 /nfs/dbraw/zinc/84/04/06/569840406.db2.gz AVUFFTGHFWROBV-BNVGKWPLSA-N 1 2 496.907 2.996 40 5 JFBBLO