smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)cc([N+](=O)[O-])n2)c2c1CC[NH2+]C2 ZINC001164681842 719617029 /nfs/dbraw/zinc/61/70/29/719617029.db2.gz BBMTZZBVBPTJBV-UHFFFAOYSA-N 2 1 364.837 2.315 20 5 FEBDMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)cc([N+](=O)[O-])n2)c2c1CC[NH2+]C2 ZINC001164681842 719617040 /nfs/dbraw/zinc/61/70/40/719617040.db2.gz BBMTZZBVBPTJBV-UHFFFAOYSA-N 2 1 364.837 2.315 20 5 FEBDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858744 541883808 /nfs/dbraw/zinc/88/38/08/541883808.db2.gz NKJMJJCDBPWUSB-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858744 541883812 /nfs/dbraw/zinc/88/38/12/541883812.db2.gz NKJMJJCDBPWUSB-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858744 541883817 /nfs/dbraw/zinc/88/38/17/541883817.db2.gz NKJMJJCDBPWUSB-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP Cc1c(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cccc1[N+](=O)[O-] ZINC000154227249 544878096 /nfs/dbraw/zinc/87/80/96/544878096.db2.gz GHMRIEPXLRXFTA-SJPCQFCGSA-N 2 1 372.469 2.286 20 5 FEBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275539908 330061346 /nfs/dbraw/zinc/06/13/46/330061346.db2.gz MNTWTMXEMINTAR-ZIAGYGMSSA-N 2 1 357.414 2.361 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343930 555295623 /nfs/dbraw/zinc/29/56/23/555295623.db2.gz PULYLNSJLUHMLQ-ATZDWAIDSA-N 2 1 363.458 2.453 20 5 FEBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC[NH2+]Cc2cccnc2)n1 ZINC000423179870 559622155 /nfs/dbraw/zinc/62/21/55/559622155.db2.gz ALKYCWNYHRQVSF-IAGOWNOFSA-N 2 1 358.446 2.440 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435619420 559926488 /nfs/dbraw/zinc/92/64/88/559926488.db2.gz YDNAOYKSBCFLQG-CYBMUJFWSA-N 2 1 350.419 2.006 20 5 FEBDMP CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623331 559926640 /nfs/dbraw/zinc/92/66/40/559926640.db2.gz CEQMNQPKRVTMHN-AWEZNQCLSA-N 2 1 364.446 2.396 20 5 FEBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751091 568175296 /nfs/dbraw/zinc/17/52/96/568175296.db2.gz XRVQJSBCBPCPCP-SJORKVTESA-N 2 1 365.474 2.292 20 5 FEBDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595403423 673243964 /nfs/dbraw/zinc/24/39/64/673243964.db2.gz FFWCODRHDXMSOY-UHFFFAOYSA-N 2 1 354.451 2.462 20 5 FEBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595403423 673243966 /nfs/dbraw/zinc/24/39/66/673243966.db2.gz FFWCODRHDXMSOY-UHFFFAOYSA-N 2 1 354.451 2.462 20 5 FEBDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819128592 675263189 /nfs/dbraw/zinc/26/31/89/675263189.db2.gz OHMXAUPQRXQZAS-SFHVURJKSA-N 2 1 351.447 2.107 20 5 FEBDMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762123 684583229 /nfs/dbraw/zinc/58/32/29/684583229.db2.gz HPFMFHDDROEHLU-ZWKOPEQDSA-N 2 1 358.236 2.199 20 5 FEBDMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC000903092767 690842825 /nfs/dbraw/zinc/84/28/25/690842825.db2.gz LMPIQLPGPAQFRO-GOEBONIOSA-N 2 1 351.447 2.491 20 5 FEBDMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc([N+](=O)[O-])c1 ZINC000903092768 690843142 /nfs/dbraw/zinc/84/31/42/690843142.db2.gz LMPIQLPGPAQFRO-HOCLYGCPSA-N 2 1 351.447 2.491 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123598613 543770892 /nfs/dbraw/zinc/77/08/92/543770892.db2.gz JJBRKHGSLHGGME-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123598613 543770895 /nfs/dbraw/zinc/77/08/95/543770895.db2.gz JJBRKHGSLHGGME-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123598613 543770899 /nfs/dbraw/zinc/77/08/99/543770899.db2.gz JJBRKHGSLHGGME-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123598613 543770903 /nfs/dbraw/zinc/77/09/03/543770903.db2.gz JJBRKHGSLHGGME-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000128702672 544067995 /nfs/dbraw/zinc/06/79/95/544067995.db2.gz PLIVPHIDUOEBAB-ZDUSSCGKSA-N 2 1 352.410 2.336 20 5 FEBDMP C[NH+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000128702672 544067997 /nfs/dbraw/zinc/06/79/97/544067997.db2.gz PLIVPHIDUOEBAB-ZDUSSCGKSA-N 2 1 352.410 2.336 20 5 FEBDMP C[NH+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000128702672 544067999 /nfs/dbraw/zinc/06/79/99/544067999.db2.gz PLIVPHIDUOEBAB-ZDUSSCGKSA-N 2 1 352.410 2.336 20 5 FEBDMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000182909915 547571164 /nfs/dbraw/zinc/57/11/64/547571164.db2.gz FRFROMJPJXADKD-SFHVURJKSA-N 2 1 362.474 2.076 20 5 FEBDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000182909915 547571169 /nfs/dbraw/zinc/57/11/69/547571169.db2.gz FRFROMJPJXADKD-SFHVURJKSA-N 2 1 362.474 2.076 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248469896 549446758 /nfs/dbraw/zinc/44/67/58/549446758.db2.gz UVKFIUOIUUWEEY-IRXDYDNUSA-N 2 1 363.458 2.142 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248469896 549446761 /nfs/dbraw/zinc/44/67/61/549446761.db2.gz UVKFIUOIUUWEEY-IRXDYDNUSA-N 2 1 363.458 2.142 20 5 FEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261947250 549773026 /nfs/dbraw/zinc/77/30/26/549773026.db2.gz YLSBWYKFDUQCFU-VYDXJSESSA-N 2 1 360.458 2.236 20 5 FEBDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814533 550556904 /nfs/dbraw/zinc/55/69/04/550556904.db2.gz IPFGBPNXOPWOHO-LPHOPBHVSA-N 2 1 370.453 2.257 20 5 FEBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814533 550556906 /nfs/dbraw/zinc/55/69/06/550556906.db2.gz IPFGBPNXOPWOHO-LPHOPBHVSA-N 2 1 370.453 2.257 20 5 FEBDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000374074495 557819249 /nfs/dbraw/zinc/81/92/49/557819249.db2.gz KZBBOQZBRZXKRC-UHFFFAOYSA-N 2 1 372.469 2.292 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422637927 559599318 /nfs/dbraw/zinc/59/93/18/559599318.db2.gz PQXQOARPILXRTG-MJBXVCDLSA-N 2 1 364.446 2.237 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292211 559660791 /nfs/dbraw/zinc/66/07/91/559660791.db2.gz OKTFDTOMYDLKEX-CYBMUJFWSA-N 2 1 362.430 2.006 20 5 FEBDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448712261 560195889 /nfs/dbraw/zinc/19/58/89/560195889.db2.gz XXMCYFAZLYYTRT-CQSZACIVSA-N 2 1 357.414 2.385 20 5 FEBDMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000471864295 561013282 /nfs/dbraw/zinc/01/32/82/561013282.db2.gz IBVUKSDDTYZXKX-MSOLQXFVSA-N 2 1 357.458 2.463 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000532920864 562492587 /nfs/dbraw/zinc/49/25/87/562492587.db2.gz NLQDTEAJAOEHAA-ZDUSSCGKSA-N 2 1 364.446 2.204 20 5 FEBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271636 671356706 /nfs/dbraw/zinc/35/67/06/671356706.db2.gz FYMOCWPLPXBXLZ-HZPDHXFCSA-N 2 1 351.447 2.045 20 5 FEBDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819128717 675263144 /nfs/dbraw/zinc/26/31/44/675263144.db2.gz QXUXURLULFNZQH-GOSISDBHSA-N 2 1 351.447 2.107 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849077059 681649841 /nfs/dbraw/zinc/64/98/41/681649841.db2.gz JGGOBWIZWYCDHM-CQSZACIVSA-N 2 1 353.854 2.389 20 5 FEBDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000779654542 681736590 /nfs/dbraw/zinc/73/65/90/681736590.db2.gz OVGZCXNQHILMEI-AWEZNQCLSA-N 2 1 356.810 2.356 20 5 FEBDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000779654542 681736597 /nfs/dbraw/zinc/73/65/97/681736597.db2.gz OVGZCXNQHILMEI-AWEZNQCLSA-N 2 1 356.810 2.356 20 5 FEBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000866261904 684087370 /nfs/dbraw/zinc/08/73/70/684087370.db2.gz ATOYQENTNXYNGO-RHSMWYFYSA-N 2 1 353.438 2.491 20 5 FEBDMP COc1ccc(NC(=O)[C@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152505165 544662841 /nfs/dbraw/zinc/66/28/41/544662841.db2.gz MFQKPKORXFXCLV-UONOGXRCSA-N 2 1 364.446 2.204 20 5 FEBDMP COc1ccc(NC(=O)[C@@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152505263 544663134 /nfs/dbraw/zinc/66/31/34/544663134.db2.gz MFQKPKORXFXCLV-ZIAGYGMSSA-N 2 1 364.446 2.204 20 5 FEBDMP COc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000271622860 550390691 /nfs/dbraw/zinc/39/06/91/550390691.db2.gz FKLKHTZMQXVULS-UHFFFAOYSA-N 2 1 350.463 2.061 20 5 FEBDMP COc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000271622860 550390694 /nfs/dbraw/zinc/39/06/94/550390694.db2.gz FKLKHTZMQXVULS-UHFFFAOYSA-N 2 1 350.463 2.061 20 5 FEBDMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986291 552777604 /nfs/dbraw/zinc/77/76/04/552777604.db2.gz NNJWTRQRPXPLAL-SFHVURJKSA-N 2 1 364.421 2.480 20 5 FEBDMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986291 552777605 /nfs/dbraw/zinc/77/76/05/552777605.db2.gz NNJWTRQRPXPLAL-SFHVURJKSA-N 2 1 364.421 2.480 20 5 FEBDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986291 552777606 /nfs/dbraw/zinc/77/76/06/552777606.db2.gz NNJWTRQRPXPLAL-SFHVURJKSA-N 2 1 364.421 2.480 20 5 FEBDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491997 557198984 /nfs/dbraw/zinc/19/89/84/557198984.db2.gz ZRCAUQKUKJZWMS-ZIAGYGMSSA-N 2 1 357.414 2.340 20 5 FEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415057659 559202848 /nfs/dbraw/zinc/20/28/48/559202848.db2.gz RYSZJOQKLWRMBJ-UHFFFAOYSA-N 2 1 362.474 2.300 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000420321010 559480212 /nfs/dbraw/zinc/48/02/12/559480212.db2.gz VAXWQVSIUPINQX-ZDUSSCGKSA-N 2 1 350.419 2.135 20 5 FEBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329553 559480917 /nfs/dbraw/zinc/48/09/17/559480917.db2.gz OQZLDVIWNRLGBK-CABCVRRESA-N 2 1 357.414 2.466 20 5 FEBDMP CSc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597942236 673521813 /nfs/dbraw/zinc/52/18/13/673521813.db2.gz HXYPKWQPNNJGIN-ZDUSSCGKSA-N 2 1 368.503 2.319 20 5 FEBDMP CSc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597942236 673521816 /nfs/dbraw/zinc/52/18/16/673521816.db2.gz HXYPKWQPNNJGIN-ZDUSSCGKSA-N 2 1 368.503 2.319 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857303924 682874770 /nfs/dbraw/zinc/87/47/70/682874770.db2.gz AYYNDXNFRFVZFO-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857303924 682874774 /nfs/dbraw/zinc/87/47/74/682874774.db2.gz AYYNDXNFRFVZFO-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP CCOc1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001164682070 719632990 /nfs/dbraw/zinc/63/29/90/719632990.db2.gz LTIWMAIXKYJAJX-UHFFFAOYSA-N 2 1 374.445 2.060 20 5 FEBDMP CCOc1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001164682070 719633000 /nfs/dbraw/zinc/63/30/00/719633000.db2.gz LTIWMAIXKYJAJX-UHFFFAOYSA-N 2 1 374.445 2.060 20 5 FEBDMP CC[N@H+](C)C[C@H]1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858552 541882890 /nfs/dbraw/zinc/88/28/90/541882890.db2.gz UKZWMTNTPUVWTF-CQSZACIVSA-N 2 1 362.430 2.166 20 5 FEBDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858552 541882893 /nfs/dbraw/zinc/88/28/93/541882893.db2.gz UKZWMTNTPUVWTF-CQSZACIVSA-N 2 1 362.430 2.166 20 5 FEBDMP CC[NH+](C)C[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858552 541882896 /nfs/dbraw/zinc/88/28/96/541882896.db2.gz UKZWMTNTPUVWTF-CQSZACIVSA-N 2 1 362.430 2.166 20 5 FEBDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858552 541882899 /nfs/dbraw/zinc/88/28/99/541882899.db2.gz UKZWMTNTPUVWTF-CQSZACIVSA-N 2 1 362.430 2.166 20 5 FEBDMP COc1ccc(NC(=O)C[N@@H+](C)CCCn2ccnc2C)c([N+](=O)[O-])c1 ZINC000130349194 544147765 /nfs/dbraw/zinc/14/77/65/544147765.db2.gz BUSOKHVZVSRLIN-UHFFFAOYSA-N 2 1 361.402 2.069 20 5 FEBDMP COc1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000130349194 544147768 /nfs/dbraw/zinc/14/77/68/544147768.db2.gz BUSOKHVZVSRLIN-UHFFFAOYSA-N 2 1 361.402 2.069 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246904442 549239997 /nfs/dbraw/zinc/23/99/97/549239997.db2.gz CFBNYWZKXQXYAV-SJLPKXTDSA-N 2 1 363.458 2.285 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246904442 549240003 /nfs/dbraw/zinc/24/00/03/549240003.db2.gz CFBNYWZKXQXYAV-SJLPKXTDSA-N 2 1 363.458 2.285 20 5 FEBDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272329 549574315 /nfs/dbraw/zinc/57/43/15/549574315.db2.gz KVEAIWADEZBDKG-SUMWQHHRSA-N 2 1 364.421 2.479 20 5 FEBDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272329 549574319 /nfs/dbraw/zinc/57/43/19/549574319.db2.gz KVEAIWADEZBDKG-SUMWQHHRSA-N 2 1 364.421 2.479 20 5 FEBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272329 549574322 /nfs/dbraw/zinc/57/43/22/549574322.db2.gz KVEAIWADEZBDKG-SUMWQHHRSA-N 2 1 364.421 2.479 20 5 FEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261947244 549772704 /nfs/dbraw/zinc/77/27/04/549772704.db2.gz YLSBWYKFDUQCFU-BFYDXBDKSA-N 2 1 360.458 2.236 20 5 FEBDMP C[N@H+]1CCC[C@@H](N2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369358662 556579166 /nfs/dbraw/zinc/57/91/66/556579166.db2.gz MTQAHQPKPQNYDJ-GOSISDBHSA-N 2 1 362.474 2.076 20 5 FEBDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369358662 556579167 /nfs/dbraw/zinc/57/91/67/556579167.db2.gz MTQAHQPKPQNYDJ-GOSISDBHSA-N 2 1 362.474 2.076 20 5 FEBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306520 557139186 /nfs/dbraw/zinc/13/91/86/557139186.db2.gz VXYCJCGVOMBCEP-KRWDZBQOSA-N 2 1 362.474 2.074 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000520639043 562160743 /nfs/dbraw/zinc/16/07/43/562160743.db2.gz QYDSAEWLEOOWQV-UHFFFAOYSA-N 2 1 355.398 2.302 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279905 559478538 /nfs/dbraw/zinc/47/85/38/559478538.db2.gz XRJSHEHQOKYRDN-SWLSCSKDSA-N 2 1 350.419 2.134 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279905 559478539 /nfs/dbraw/zinc/47/85/39/559478539.db2.gz XRJSHEHQOKYRDN-SWLSCSKDSA-N 2 1 350.419 2.134 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420317444 559480028 /nfs/dbraw/zinc/48/00/28/559480028.db2.gz OOPQQIVPKDGEJP-ZDUSSCGKSA-N 2 1 350.419 2.135 20 5 FEBDMP O=C1[C@H]([N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340070 559481890 /nfs/dbraw/zinc/48/18/90/559481890.db2.gz ZTVYTDKBQBPYDX-RLFYNMQTSA-N 2 1 358.442 2.022 20 5 FEBDMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340066 559481968 /nfs/dbraw/zinc/48/19/68/559481968.db2.gz ZTVYTDKBQBPYDX-IIDMSEBBSA-N 2 1 358.442 2.022 20 5 FEBDMP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435388625 559922037 /nfs/dbraw/zinc/92/20/37/559922037.db2.gz HWXNAUNQQPOXKG-UHFFFAOYSA-N 2 1 374.466 2.187 20 5 FEBDMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435388625 559922038 /nfs/dbraw/zinc/92/20/38/559922038.db2.gz HWXNAUNQQPOXKG-UHFFFAOYSA-N 2 1 374.466 2.187 20 5 FEBDMP COc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000591278441 672664528 /nfs/dbraw/zinc/66/45/28/672664528.db2.gz BUXXSGLYMLEZEG-GFCCVEGCSA-N 2 1 359.373 2.479 20 5 FEBDMP Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596819526 673416776 /nfs/dbraw/zinc/41/67/76/673416776.db2.gz ASRPWLMOYXNIBQ-AWEZNQCLSA-N 2 1 351.451 2.297 20 5 FEBDMP Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596819526 673416780 /nfs/dbraw/zinc/41/67/80/673416780.db2.gz ASRPWLMOYXNIBQ-AWEZNQCLSA-N 2 1 351.451 2.297 20 5 FEBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071737 680099218 /nfs/dbraw/zinc/09/92/18/680099218.db2.gz LCTOLWDCQKFBIY-ZWKOTPCHSA-N 2 1 351.447 2.061 20 5 FEBDMP CC(C)[N@H+](C)Cc1nn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c2c1CC[NH2+]C2 ZINC001164681228 719627533 /nfs/dbraw/zinc/62/75/33/719627533.db2.gz DPIFIZGCNONCOU-UHFFFAOYSA-N 2 1 369.429 2.143 20 5 FEBDMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c2c1CC[NH2+]C2 ZINC001164681228 719627541 /nfs/dbraw/zinc/62/75/41/719627541.db2.gz DPIFIZGCNONCOU-UHFFFAOYSA-N 2 1 369.429 2.143 20 5 FEBDMP CC[NH+]1CCC([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000077249594 542359895 /nfs/dbraw/zinc/35/98/95/542359895.db2.gz LMSJNANYACCZDS-UHFFFAOYSA-N 2 1 362.430 2.309 20 5 FEBDMP CC[NH+]1CCC([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000077249594 542359899 /nfs/dbraw/zinc/35/98/99/542359899.db2.gz LMSJNANYACCZDS-UHFFFAOYSA-N 2 1 362.430 2.309 20 5 FEBDMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000128830350 544075580 /nfs/dbraw/zinc/07/55/80/544075580.db2.gz MIZILFIHSUADMV-QWHCGFSZSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000128830350 544075583 /nfs/dbraw/zinc/07/55/83/544075583.db2.gz MIZILFIHSUADMV-QWHCGFSZSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000128830350 544075587 /nfs/dbraw/zinc/07/55/87/544075587.db2.gz MIZILFIHSUADMV-QWHCGFSZSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[NH+]1C ZINC000128830350 544075590 /nfs/dbraw/zinc/07/55/90/544075590.db2.gz MIZILFIHSUADMV-QWHCGFSZSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[NH+]1C ZINC000128830350 544075594 /nfs/dbraw/zinc/07/55/94/544075594.db2.gz MIZILFIHSUADMV-QWHCGFSZSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000129424781 544111432 /nfs/dbraw/zinc/11/14/32/544111432.db2.gz PTDMCJOSZCHPPT-KSSFIOAISA-N 2 1 369.425 2.264 20 5 FEBDMP C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000129424781 544111434 /nfs/dbraw/zinc/11/14/34/544111434.db2.gz PTDMCJOSZCHPPT-KSSFIOAISA-N 2 1 369.425 2.264 20 5 FEBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000177484622 546628916 /nfs/dbraw/zinc/62/89/16/546628916.db2.gz DDIXMTIFLQOEIN-IYBDPMFKSA-N 2 1 365.478 2.003 20 5 FEBDMP COc1cc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000489098632 561403206 /nfs/dbraw/zinc/40/32/06/561403206.db2.gz OIRQDEMFIMQROK-QGZVFWFLSA-N 2 1 362.474 2.205 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cs2)c1 ZINC000262178152 549795711 /nfs/dbraw/zinc/79/57/11/549795711.db2.gz WHXORBLSOQQHBD-KRWDZBQOSA-N 2 1 373.482 2.198 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cs2)c1 ZINC000262178152 549795714 /nfs/dbraw/zinc/79/57/14/549795714.db2.gz WHXORBLSOQQHBD-KRWDZBQOSA-N 2 1 373.482 2.198 20 5 FEBDMP COc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000522247026 562195059 /nfs/dbraw/zinc/19/50/59/562195059.db2.gz KPXYGPOWFRATMZ-UHFFFAOYSA-N 2 1 371.397 2.003 20 5 FEBDMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420334006 559481407 /nfs/dbraw/zinc/48/14/07/559481407.db2.gz KTDFQAUQKZURHB-TXEJJXNPSA-N 2 1 352.822 2.118 20 5 FEBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000531024798 562432321 /nfs/dbraw/zinc/43/23/21/562432321.db2.gz HTQMMYVNRQKOGX-UHFFFAOYSA-N 2 1 369.425 2.313 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000595039189 673188462 /nfs/dbraw/zinc/18/84/62/673188462.db2.gz OAVXPVQDYNPRGF-CQSZACIVSA-N 2 1 350.463 2.280 20 5 FEBDMP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903483694 690898480 /nfs/dbraw/zinc/89/84/80/690898480.db2.gz KGNDOYWRFJYBBC-HNNXBMFYSA-N 2 1 350.394 2.327 20 5 FEBDMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)ncc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164685147 719609874 /nfs/dbraw/zinc/60/98/74/719609874.db2.gz SCHBFOCSGUEJSA-UHFFFAOYSA-N 2 1 364.837 2.315 20 5 FEBDMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)ncc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164685147 719609877 /nfs/dbraw/zinc/60/98/77/719609877.db2.gz SCHBFOCSGUEJSA-UHFFFAOYSA-N 2 1 364.837 2.315 20 5 FEBDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906290 327293361 /nfs/dbraw/zinc/29/33/61/327293361.db2.gz TYUDWWQUKPPIOF-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906290 327293362 /nfs/dbraw/zinc/29/33/62/327293362.db2.gz TYUDWWQUKPPIOF-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906290 327293364 /nfs/dbraw/zinc/29/33/64/327293364.db2.gz TYUDWWQUKPPIOF-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906290 327293366 /nfs/dbraw/zinc/29/33/66/327293366.db2.gz TYUDWWQUKPPIOF-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343933 555295466 /nfs/dbraw/zinc/29/54/66/555295466.db2.gz PULYLNSJLUHMLQ-MNEFBYGVSA-N 2 1 363.458 2.453 20 5 FEBDMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000374299582 557861348 /nfs/dbraw/zinc/86/13/48/557861348.db2.gz YKFJVVOTWSTEIV-INIZCTEOSA-N 2 1 372.469 2.390 20 5 FEBDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496146 560231826 /nfs/dbraw/zinc/23/18/26/560231826.db2.gz ISVMFBBNSHCFMM-LJQANCHMSA-N 2 1 374.485 2.361 20 5 FEBDMP COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000474365400 561072275 /nfs/dbraw/zinc/07/22/75/561072275.db2.gz AQBLBOOFYSKJPX-GJZGRUSLSA-N 2 1 365.430 2.109 20 5 FEBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174839385 672363936 /nfs/dbraw/zinc/36/39/36/672363936.db2.gz ATCNHPQDVNXTHC-UHFFFAOYSA-N 2 1 368.865 2.138 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597942960 673521835 /nfs/dbraw/zinc/52/18/35/673521835.db2.gz RCVWOEUDPYYNIE-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597942960 673521838 /nfs/dbraw/zinc/52/18/38/673521838.db2.gz RCVWOEUDPYYNIE-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146635 673694273 /nfs/dbraw/zinc/69/42/73/673694273.db2.gz TZRAOYMDCVNBJM-OWCLPIDISA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146635 673694276 /nfs/dbraw/zinc/69/42/76/673694276.db2.gz TZRAOYMDCVNBJM-OWCLPIDISA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146635 673694278 /nfs/dbraw/zinc/69/42/78/673694278.db2.gz TZRAOYMDCVNBJM-OWCLPIDISA-N 2 1 351.447 2.139 20 5 FEBDMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000843364779 681000004 /nfs/dbraw/zinc/00/00/04/681000004.db2.gz RUDSWFWAHDSLES-UHFFFAOYSA-N 2 1 350.394 2.138 20 5 FEBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000092820916 542887806 /nfs/dbraw/zinc/88/78/06/542887806.db2.gz CHWZMFLNPJPCSR-UHFFFAOYSA-N 2 1 358.446 2.425 20 5 FEBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000105476115 543174113 /nfs/dbraw/zinc/17/41/13/543174113.db2.gz WFKUPHQIOHHUSN-UHFFFAOYSA-N 2 1 372.416 2.313 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000128983161 544084488 /nfs/dbraw/zinc/08/44/88/544084488.db2.gz XAIJEUDWOUIKGY-KRWDZBQOSA-N 2 1 362.474 2.391 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000365082279 555481140 /nfs/dbraw/zinc/48/11/40/555481140.db2.gz JQCICRUBYDFAMT-OLZOCXBDSA-N 2 1 373.413 2.040 20 5 FEBDMP [NH3+]C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000420374788 559483939 /nfs/dbraw/zinc/48/39/39/559483939.db2.gz SLZDNCPWUJGRHA-OAHLLOKOSA-N 2 1 362.430 2.390 20 5 FEBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000579099785 671712134 /nfs/dbraw/zinc/71/21/34/671712134.db2.gz KMBJGDKJNNMVIW-ZBFHGGJFSA-N 2 1 351.834 2.449 20 5 FEBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000579099785 671712135 /nfs/dbraw/zinc/71/21/35/671712135.db2.gz KMBJGDKJNNMVIW-ZBFHGGJFSA-N 2 1 351.834 2.449 20 5 FEBDMP Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C ZINC000898585417 690213907 /nfs/dbraw/zinc/21/39/07/690213907.db2.gz WPCLFEAXBNMEAG-AWEZNQCLSA-N 2 1 350.463 2.213 20 5 FEBDMP Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000898585417 690213912 /nfs/dbraw/zinc/21/39/12/690213912.db2.gz WPCLFEAXBNMEAG-AWEZNQCLSA-N 2 1 350.463 2.213 20 5 FEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000105476479 543174487 /nfs/dbraw/zinc/17/44/87/543174487.db2.gz KHGUWAGLVYWMSC-UHFFFAOYSA-N 2 1 350.463 2.111 20 5 FEBDMP Cn1cc[nH+]c1C[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000123786366 543782491 /nfs/dbraw/zinc/78/24/91/543782491.db2.gz OUZBMYKBIOBJFM-CQSZACIVSA-N 2 1 357.414 2.222 20 5 FEBDMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191473037 328267460 /nfs/dbraw/zinc/26/74/60/328267460.db2.gz XHWYPCGKLMQPLV-UHFFFAOYSA-N 2 1 359.430 2.365 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841622 326107616 /nfs/dbraw/zinc/10/76/16/326107616.db2.gz AWRXBBDPIGWRSE-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841622 326107617 /nfs/dbraw/zinc/10/76/17/326107617.db2.gz AWRXBBDPIGWRSE-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841622 326107620 /nfs/dbraw/zinc/10/76/20/326107620.db2.gz AWRXBBDPIGWRSE-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000491137047 561443365 /nfs/dbraw/zinc/44/33/65/561443365.db2.gz NEDLZAMVUBTPRW-HNNXBMFYSA-N 2 1 356.426 2.334 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000285453164 551759193 /nfs/dbraw/zinc/75/91/93/551759193.db2.gz GKGWOZRPKTWUKW-IBGZPJMESA-N 2 1 355.442 2.389 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000285453164 551759194 /nfs/dbraw/zinc/75/91/94/551759194.db2.gz GKGWOZRPKTWUKW-IBGZPJMESA-N 2 1 355.442 2.389 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000285453164 551759195 /nfs/dbraw/zinc/75/91/95/551759195.db2.gz GKGWOZRPKTWUKW-IBGZPJMESA-N 2 1 355.442 2.389 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000285453164 551759196 /nfs/dbraw/zinc/75/91/96/551759196.db2.gz GKGWOZRPKTWUKW-IBGZPJMESA-N 2 1 355.442 2.389 20 5 FEBDMP C[N@H+]1CCC[C@H](N2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369358663 556578862 /nfs/dbraw/zinc/57/88/62/556578862.db2.gz MTQAHQPKPQNYDJ-SFHVURJKSA-N 2 1 362.474 2.076 20 5 FEBDMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369358663 556578865 /nfs/dbraw/zinc/57/88/65/556578865.db2.gz MTQAHQPKPQNYDJ-SFHVURJKSA-N 2 1 362.474 2.076 20 5 FEBDMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430590566 559823967 /nfs/dbraw/zinc/82/39/67/559823967.db2.gz DFRGCMKDKUSVFW-ZDUSSCGKSA-N 2 1 364.446 2.252 20 5 FEBDMP CC1(C)C[C@@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122365 559872372 /nfs/dbraw/zinc/87/23/72/559872372.db2.gz VPNHRPYMYGTYCU-KBXCAEBGSA-N 2 1 374.485 2.494 20 5 FEBDMP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122365 559872374 /nfs/dbraw/zinc/87/23/74/559872374.db2.gz VPNHRPYMYGTYCU-KBXCAEBGSA-N 2 1 374.485 2.494 20 5 FEBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457782 671370231 /nfs/dbraw/zinc/37/02/31/671370231.db2.gz RNUJHHIMANIWSI-DOTOQJQBSA-N 2 1 351.447 2.045 20 5 FEBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000841069663 680861695 /nfs/dbraw/zinc/86/16/95/680861695.db2.gz BWYCGFOTWPKJKO-CYBMUJFWSA-N 2 1 366.771 2.174 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130779784 544164351 /nfs/dbraw/zinc/16/43/51/544164351.db2.gz VSNJIHFGGKWKHK-UHFFFAOYSA-N 2 1 361.402 2.069 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130779784 544164352 /nfs/dbraw/zinc/16/43/52/544164352.db2.gz VSNJIHFGGKWKHK-UHFFFAOYSA-N 2 1 361.402 2.069 20 5 FEBDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783518 550554212 /nfs/dbraw/zinc/55/42/12/550554212.db2.gz ADTDCYPQGNIOTN-OAHLLOKOSA-N 2 1 372.473 2.468 20 5 FEBDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783518 550554213 /nfs/dbraw/zinc/55/42/13/550554213.db2.gz ADTDCYPQGNIOTN-OAHLLOKOSA-N 2 1 372.473 2.468 20 5 FEBDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783518 550554214 /nfs/dbraw/zinc/55/42/14/550554214.db2.gz ADTDCYPQGNIOTN-OAHLLOKOSA-N 2 1 372.473 2.468 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277270189 550649912 /nfs/dbraw/zinc/64/99/12/550649912.db2.gz RNIQWOPRDSUSAX-AWEZNQCLSA-N 2 1 364.446 2.348 20 5 FEBDMP CC[NH+]1CCC([N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000376355556 558162395 /nfs/dbraw/zinc/16/23/95/558162395.db2.gz TWQZHBSOUMNONV-QGZVFWFLSA-N 2 1 363.458 2.283 20 5 FEBDMP CC[NH+]1CCC([N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000376355556 558162396 /nfs/dbraw/zinc/16/23/96/558162396.db2.gz TWQZHBSOUMNONV-QGZVFWFLSA-N 2 1 363.458 2.283 20 5 FEBDMP O=C(NC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000469848366 560966298 /nfs/dbraw/zinc/96/62/98/560966298.db2.gz IZSGVUVLBMAMAK-GQQIISMTSA-N 2 1 372.469 2.188 20 5 FEBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000470012598 560972119 /nfs/dbraw/zinc/97/21/19/560972119.db2.gz RDBQHJAXUGOVLE-HNNXBMFYSA-N 2 1 372.425 2.142 20 5 FEBDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919215 547405315 /nfs/dbraw/zinc/40/53/15/547405315.db2.gz KXDUBAKFJJSARM-HOTGVXAUSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919215 547405319 /nfs/dbraw/zinc/40/53/19/547405319.db2.gz KXDUBAKFJJSARM-HOTGVXAUSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919215 547405323 /nfs/dbraw/zinc/40/53/23/547405323.db2.gz KXDUBAKFJJSARM-HOTGVXAUSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919215 547405324 /nfs/dbraw/zinc/40/53/24/547405324.db2.gz KXDUBAKFJJSARM-HOTGVXAUSA-N 2 1 351.447 2.141 20 5 FEBDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491996 557199275 /nfs/dbraw/zinc/19/92/75/557199275.db2.gz ZRCAUQKUKJZWMS-UONOGXRCSA-N 2 1 357.414 2.340 20 5 FEBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376799346 558222718 /nfs/dbraw/zinc/22/27/18/558222718.db2.gz PEVWXHCFFFWVMX-GOSISDBHSA-N 2 1 362.474 2.074 20 5 FEBDMP COc1cc(C[NH2+]C[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414880925 559192519 /nfs/dbraw/zinc/19/25/19/559192519.db2.gz RJZFEDAAFFPZPR-VIFPVBQESA-N 2 1 351.325 2.229 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344557 559482013 /nfs/dbraw/zinc/48/20/13/559482013.db2.gz UDDLQAJGCWJZFW-HNNXBMFYSA-N 2 1 362.430 2.006 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420372440 559483738 /nfs/dbraw/zinc/48/37/38/559483738.db2.gz MHJVDRTXBICMOQ-GOSISDBHSA-N 2 1 362.430 2.008 20 5 FEBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402123 559485719 /nfs/dbraw/zinc/48/57/19/559485719.db2.gz QGGKEEZZYOLKRN-GOEBONIOSA-N 2 1 374.441 2.357 20 5 FEBDMP C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000458157560 560605798 /nfs/dbraw/zinc/60/57/98/560605798.db2.gz CQCRGCKTXWWZHV-AWEZNQCLSA-N 2 1 357.414 2.242 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000595013885 673186241 /nfs/dbraw/zinc/18/62/41/673186241.db2.gz UULYKDCNRVJJOE-HNNXBMFYSA-N 2 1 350.463 2.282 20 5 FEBDMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387084 681000775 /nfs/dbraw/zinc/00/07/75/681000775.db2.gz OBWPRAWJQANLAY-UHFFFAOYSA-N 2 1 352.822 2.262 20 5 FEBDMP COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CC[NH+](C)CC1 ZINC000879126921 686747661 /nfs/dbraw/zinc/74/76/61/686747661.db2.gz ONFFPHYRNRVOLO-UHFFFAOYSA-N 2 1 351.447 2.394 20 5 FEBDMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583417 686863697 /nfs/dbraw/zinc/86/36/97/686863697.db2.gz YUUONQVVUHQOKW-WBMJQRKESA-N 2 1 350.394 2.089 20 5 FEBDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583417 686863701 /nfs/dbraw/zinc/86/37/01/686863701.db2.gz YUUONQVVUHQOKW-WBMJQRKESA-N 2 1 350.394 2.089 20 5 FEBDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583417 686863707 /nfs/dbraw/zinc/86/37/07/686863707.db2.gz YUUONQVVUHQOKW-WBMJQRKESA-N 2 1 350.394 2.089 20 5 FEBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583417 686863714 /nfs/dbraw/zinc/86/37/14/686863714.db2.gz YUUONQVVUHQOKW-WBMJQRKESA-N 2 1 350.394 2.089 20 5 FEBDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000482545493 561255900 /nfs/dbraw/zinc/25/59/00/561255900.db2.gz YTMPGJXPEXHOJL-MSOLQXFVSA-N 2 1 374.485 2.093 20 5 FEBDMP COc1ccc(NC(=O)[C@@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000246904604 549239460 /nfs/dbraw/zinc/23/94/60/549239460.db2.gz MFQKPKORXFXCLV-KGLIPLIRSA-N 2 1 364.446 2.204 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277270195 550650103 /nfs/dbraw/zinc/65/01/03/550650103.db2.gz RNIQWOPRDSUSAX-CQSZACIVSA-N 2 1 364.446 2.348 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370203212 556809730 /nfs/dbraw/zinc/80/97/30/556809730.db2.gz ZYLXMHWAFYGJOL-GOSISDBHSA-N 2 1 362.474 2.204 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370203212 556809731 /nfs/dbraw/zinc/80/97/31/556809731.db2.gz ZYLXMHWAFYGJOL-GOSISDBHSA-N 2 1 362.474 2.204 20 5 FEBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000517560818 562092493 /nfs/dbraw/zinc/09/24/93/562092493.db2.gz BALHRIXLKJNSSR-UHFFFAOYSA-N 2 1 356.386 2.386 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373785312 557758485 /nfs/dbraw/zinc/75/84/85/557758485.db2.gz COKGTHHSNIVUNO-SFHVURJKSA-N 2 1 362.474 2.204 20 5 FEBDMP CCN1CCC([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000411299496 558871562 /nfs/dbraw/zinc/87/15/62/558871562.db2.gz ATYCPFQJIVENHI-UHFFFAOYSA-N 2 1 364.446 2.348 20 5 FEBDMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000411299496 558871563 /nfs/dbraw/zinc/87/15/63/558871563.db2.gz ATYCPFQJIVENHI-UHFFFAOYSA-N 2 1 364.446 2.348 20 5 FEBDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000411299496 558871564 /nfs/dbraw/zinc/87/15/64/558871564.db2.gz ATYCPFQJIVENHI-UHFFFAOYSA-N 2 1 364.446 2.348 20 5 FEBDMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000411309511 558873762 /nfs/dbraw/zinc/87/37/62/558873762.db2.gz RKPUEVDZSJCPQX-UHFFFAOYSA-N 2 1 364.446 2.348 20 5 FEBDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000411309511 558873765 /nfs/dbraw/zinc/87/37/65/558873765.db2.gz RKPUEVDZSJCPQX-UHFFFAOYSA-N 2 1 364.446 2.348 20 5 FEBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000414994696 559199588 /nfs/dbraw/zinc/19/95/88/559199588.db2.gz VUKDXXUCSMVPPZ-CYBMUJFWSA-N 2 1 366.771 2.174 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420292283 559479012 /nfs/dbraw/zinc/47/90/12/559479012.db2.gz LQAXRGCEBKRQDZ-HOTGVXAUSA-N 2 1 360.458 2.108 20 5 FEBDMP COCC1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000423407249 559628179 /nfs/dbraw/zinc/62/81/79/559628179.db2.gz MEBWULVKSAGHEQ-KRWDZBQOSA-N 2 1 373.457 2.024 20 5 FEBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486124 684290837 /nfs/dbraw/zinc/29/08/37/684290837.db2.gz WKMVVBPCBCZVTL-UHFFFAOYSA-N 2 1 351.447 2.271 20 5 FEBDMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000903966788 690989991 /nfs/dbraw/zinc/98/99/91/690989991.db2.gz CHFHYCRMPHZUTR-PWSUYJOCSA-N 2 1 359.373 2.192 20 5 FEBDMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257249 555065533 /nfs/dbraw/zinc/06/55/33/555065533.db2.gz VKYCAOMEBNFTOY-OLMNPRSZSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257249 555065535 /nfs/dbraw/zinc/06/55/35/555065535.db2.gz VKYCAOMEBNFTOY-OLMNPRSZSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257249 555065537 /nfs/dbraw/zinc/06/55/37/555065537.db2.gz VKYCAOMEBNFTOY-OLMNPRSZSA-N 2 1 358.442 2.340 20 5 FEBDMP Cc1cc(NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000371884998 557319703 /nfs/dbraw/zinc/31/97/03/557319703.db2.gz XWHSOYMHZMHCAT-UHFFFAOYSA-N 2 1 361.490 2.906 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420274351 559478230 /nfs/dbraw/zinc/47/82/30/559478230.db2.gz OJINFSFDIQBKQF-SWLSCSKDSA-N 2 1 350.419 2.134 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420274351 559478231 /nfs/dbraw/zinc/47/82/31/559478231.db2.gz OJINFSFDIQBKQF-SWLSCSKDSA-N 2 1 350.419 2.134 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422626316 559598596 /nfs/dbraw/zinc/59/85/96/559598596.db2.gz DTFKPBHJMDBYTN-RDBSUJKOSA-N 2 1 364.446 2.237 20 5 FEBDMP [NH3+]C[C@@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303967 559660986 /nfs/dbraw/zinc/66/09/86/559660986.db2.gz QCLKQBQGZGVCGG-GOEBONIOSA-N 2 1 359.405 2.358 20 5 FEBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430574333 559823440 /nfs/dbraw/zinc/82/34/40/559823440.db2.gz NWFKIORSUMZZFL-AWEZNQCLSA-N 2 1 350.419 2.198 20 5 FEBDMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000471864003 561013347 /nfs/dbraw/zinc/01/33/47/561013347.db2.gz HFHPKKZBRHUBFO-IEBWSBKVSA-N 2 1 357.458 2.463 20 5 FEBDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385733 683711909 /nfs/dbraw/zinc/71/19/09/683711909.db2.gz ABVYJRXAVOJQGC-BRSBDYLESA-N 2 1 351.422 2.303 20 5 FEBDMP O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873211698 685097724 /nfs/dbraw/zinc/09/77/24/685097724.db2.gz RKYOOOKUDIBDJO-UHFFFAOYSA-N 2 1 359.455 2.019 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000125558301 543888328 /nfs/dbraw/zinc/88/83/28/543888328.db2.gz BMYHYGBLBATBIT-MRXNPFEDSA-N 2 1 362.474 2.391 20 5 FEBDMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000109788987 325677465 /nfs/dbraw/zinc/67/74/65/325677465.db2.gz VJZOHHMYJPDPKS-UHFFFAOYSA-N 2 1 374.485 2.013 20 5 FEBDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611586 549174374 /nfs/dbraw/zinc/17/43/74/549174374.db2.gz PQUWCRPRGYSSIF-IRXDYDNUSA-N 2 1 362.474 2.343 20 5 FEBDMP C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367293283 556010139 /nfs/dbraw/zinc/01/01/39/556010139.db2.gz YPRHQCRBCGMWMS-INIZCTEOSA-N 2 1 350.438 2.334 20 5 FEBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367293283 556010142 /nfs/dbraw/zinc/01/01/42/556010142.db2.gz YPRHQCRBCGMWMS-INIZCTEOSA-N 2 1 350.438 2.334 20 5 FEBDMP CC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607768 557519373 /nfs/dbraw/zinc/51/93/73/557519373.db2.gz VZINXZOJSFMUNX-QGZVFWFLSA-N 2 1 360.458 2.402 20 5 FEBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375907622 558097999 /nfs/dbraw/zinc/09/79/99/558097999.db2.gz YMOFLSOLHNUGEV-SFHVURJKSA-N 2 1 362.474 2.074 20 5 FEBDMP O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377760041 558413827 /nfs/dbraw/zinc/41/38/27/558413827.db2.gz INGSVZKCBBMUJX-MSOLQXFVSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760041 558413830 /nfs/dbraw/zinc/41/38/30/558413830.db2.gz INGSVZKCBBMUJX-MSOLQXFVSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760041 558413832 /nfs/dbraw/zinc/41/38/32/558413832.db2.gz INGSVZKCBBMUJX-MSOLQXFVSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760041 558413834 /nfs/dbraw/zinc/41/38/34/558413834.db2.gz INGSVZKCBBMUJX-MSOLQXFVSA-N 2 1 355.442 2.245 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420274354 559478302 /nfs/dbraw/zinc/47/83/02/559478302.db2.gz OJINFSFDIQBKQF-WFASDCNBSA-N 2 1 350.419 2.134 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420274354 559478303 /nfs/dbraw/zinc/47/83/03/559478303.db2.gz OJINFSFDIQBKQF-WFASDCNBSA-N 2 1 350.419 2.134 20 5 FEBDMP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420298944 559479310 /nfs/dbraw/zinc/47/93/10/559479310.db2.gz AHZIBNCNOQPJQJ-UHFFFAOYSA-N 2 1 352.822 2.262 20 5 FEBDMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420298944 559479311 /nfs/dbraw/zinc/47/93/11/559479311.db2.gz AHZIBNCNOQPJQJ-UHFFFAOYSA-N 2 1 352.822 2.262 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323668 559480499 /nfs/dbraw/zinc/48/04/99/559480499.db2.gz GQAFXCFTOSLENP-HUUCEWRRSA-N 2 1 357.414 2.466 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430594163 559824055 /nfs/dbraw/zinc/82/40/55/559824055.db2.gz GCEACQDTXGJRKW-AWEZNQCLSA-N 2 1 352.435 2.237 20 5 FEBDMP CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC[NH2+]CC1 ZINC000431067444 559833364 /nfs/dbraw/zinc/83/33/64/559833364.db2.gz DXOMIZRANYIFHZ-UHFFFAOYSA-N 2 1 364.446 2.396 20 5 FEBDMP O=C(NC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000469848368 560966327 /nfs/dbraw/zinc/96/63/27/560966327.db2.gz IZSGVUVLBMAMAK-VSLUYMRVSA-N 2 1 372.469 2.188 20 5 FEBDMP C[NH+](C)CCC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595907196 673337177 /nfs/dbraw/zinc/33/71/77/673337177.db2.gz SMVAOLIQASKOSP-SFHVURJKSA-N 2 1 351.447 2.406 20 5 FEBDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595907196 673337180 /nfs/dbraw/zinc/33/71/80/673337180.db2.gz SMVAOLIQASKOSP-SFHVURJKSA-N 2 1 351.447 2.406 20 5 FEBDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819128718 675263325 /nfs/dbraw/zinc/26/33/25/675263325.db2.gz QXUXURLULFNZQH-SFHVURJKSA-N 2 1 351.447 2.107 20 5 FEBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071735 680099264 /nfs/dbraw/zinc/09/92/64/680099264.db2.gz LCTOLWDCQKFBIY-ROUUACIJSA-N 2 1 351.447 2.061 20 5 FEBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000866353610 684094361 /nfs/dbraw/zinc/09/43/61/684094361.db2.gz UVAIIJKTEQEUGX-CQSZACIVSA-N 2 1 352.454 2.281 20 5 FEBDMP O=C(CC[N@@H+]1CC[NH2+]CCC12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000883459113 687635009 /nfs/dbraw/zinc/63/50/09/687635009.db2.gz KOXKYTAURZOVNC-UHFFFAOYSA-N 2 1 350.394 2.281 20 5 FEBDMP O=C(CC[N@H+]1CC[NH2+]CCC12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000883459113 687635014 /nfs/dbraw/zinc/63/50/14/687635014.db2.gz KOXKYTAURZOVNC-UHFFFAOYSA-N 2 1 350.394 2.281 20 5 FEBDMP CC(C)[N@H+](C)Cc1nn(-c2nccc(Cl)c2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684206 719604652 /nfs/dbraw/zinc/60/46/52/719604652.db2.gz MZHPEKYILUZUMU-UHFFFAOYSA-N 2 1 364.837 2.315 20 5 FEBDMP CC(C)[N@@H+](C)Cc1nn(-c2nccc(Cl)c2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684206 719604660 /nfs/dbraw/zinc/60/46/60/719604660.db2.gz MZHPEKYILUZUMU-UHFFFAOYSA-N 2 1 364.837 2.315 20 5 FEBDMP C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000152450088 544655282 /nfs/dbraw/zinc/65/52/82/544655282.db2.gz SXAKXRPKZUDKTO-CQSZACIVSA-N 2 1 362.430 2.166 20 5 FEBDMP C[NH+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000152450088 544655286 /nfs/dbraw/zinc/65/52/86/544655286.db2.gz SXAKXRPKZUDKTO-CQSZACIVSA-N 2 1 362.430 2.166 20 5 FEBDMP COc1ccc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c([N+](=O)[O-])c1 ZINC000489825531 561419904 /nfs/dbraw/zinc/41/99/04/561419904.db2.gz MPULKLBKDAFPJU-UHFFFAOYSA-N 2 1 364.446 2.383 20 5 FEBDMP COc1ccc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c([N+](=O)[O-])c1 ZINC000489825531 561419905 /nfs/dbraw/zinc/41/99/05/561419905.db2.gz MPULKLBKDAFPJU-UHFFFAOYSA-N 2 1 364.446 2.383 20 5 FEBDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783514 550554264 /nfs/dbraw/zinc/55/42/64/550554264.db2.gz ADTDCYPQGNIOTN-HNNXBMFYSA-N 2 1 372.473 2.468 20 5 FEBDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783514 550554266 /nfs/dbraw/zinc/55/42/66/550554266.db2.gz ADTDCYPQGNIOTN-HNNXBMFYSA-N 2 1 372.473 2.468 20 5 FEBDMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783514 550554268 /nfs/dbraw/zinc/55/42/68/550554268.db2.gz ADTDCYPQGNIOTN-HNNXBMFYSA-N 2 1 372.473 2.468 20 5 FEBDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814539 550556798 /nfs/dbraw/zinc/55/67/98/550556798.db2.gz IPFGBPNXOPWOHO-VQIMIIECSA-N 2 1 370.453 2.257 20 5 FEBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814539 550556799 /nfs/dbraw/zinc/55/67/99/550556799.db2.gz IPFGBPNXOPWOHO-VQIMIIECSA-N 2 1 370.453 2.257 20 5 FEBDMP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415019967 559201024 /nfs/dbraw/zinc/20/10/24/559201024.db2.gz ALPZWTSILCXTLL-YRWFTTLQSA-N 2 1 369.421 2.490 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420370270 559483459 /nfs/dbraw/zinc/48/34/59/559483459.db2.gz OWFWVTUBAKTFGE-MRXNPFEDSA-N 2 1 364.446 2.429 20 5 FEBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC[NH2+]Cc2cccnc2)n1 ZINC000423179871 559622148 /nfs/dbraw/zinc/62/21/48/559622148.db2.gz ALKYCWNYHRQVSF-IRXDYDNUSA-N 2 1 358.446 2.440 20 5 FEBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH2+]Cc2cccnc2)n1 ZINC000423179869 559622159 /nfs/dbraw/zinc/62/21/59/559622159.db2.gz ALKYCWNYHRQVSF-DLBZAZTESA-N 2 1 358.446 2.440 20 5 FEBDMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000753917126 680324635 /nfs/dbraw/zinc/32/46/35/680324635.db2.gz IZHGCYFQVQABCX-UHFFFAOYSA-N 2 1 352.410 2.479 20 5 FEBDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000753917126 680324638 /nfs/dbraw/zinc/32/46/38/680324638.db2.gz IZHGCYFQVQABCX-UHFFFAOYSA-N 2 1 352.410 2.479 20 5 FEBDMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc([N+](=O)[O-])c1 ZINC000903092769 690843218 /nfs/dbraw/zinc/84/32/18/690843218.db2.gz LMPIQLPGPAQFRO-ZBFHGGJFSA-N 2 1 351.447 2.491 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000125558541 543888622 /nfs/dbraw/zinc/88/86/22/543888622.db2.gz BMYHYGBLBATBIT-INIZCTEOSA-N 2 1 362.474 2.391 20 5 FEBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000130488243 544153072 /nfs/dbraw/zinc/15/30/72/544153072.db2.gz LXFSJRRBVDWABF-QGZVFWFLSA-N 2 1 357.414 2.227 20 5 FEBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000130488243 544153075 /nfs/dbraw/zinc/15/30/75/544153075.db2.gz LXFSJRRBVDWABF-QGZVFWFLSA-N 2 1 357.414 2.227 20 5 FEBDMP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000121623286 326352832 /nfs/dbraw/zinc/35/28/32/326352832.db2.gz WNFXJTOXQWFZFC-UHFFFAOYSA-N 2 1 360.458 2.148 20 5 FEBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000375893281 558095079 /nfs/dbraw/zinc/09/50/79/558095079.db2.gz YFSDXWUFDHGEKL-QGZVFWFLSA-N 2 1 362.474 2.074 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420292277 559479121 /nfs/dbraw/zinc/47/91/21/559479121.db2.gz LQAXRGCEBKRQDZ-CVEARBPZSA-N 2 1 360.458 2.108 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420363240 559483115 /nfs/dbraw/zinc/48/31/15/559483115.db2.gz JCCPYRXTTVSLII-MRXNPFEDSA-N 2 1 364.446 2.429 20 5 FEBDMP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC[C@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000420364454 559483320 /nfs/dbraw/zinc/48/33/20/559483320.db2.gz CWQLSIJJXIGVKQ-OAHLLOKOSA-N 2 1 372.473 2.373 20 5 FEBDMP Cn1ccnc1[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423430198 559629047 /nfs/dbraw/zinc/62/90/47/559629047.db2.gz HZSCAKNZKQCHES-KSZLIROESA-N 2 1 355.442 2.395 20 5 FEBDMP [NH3+]C[C@@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303968 559661025 /nfs/dbraw/zinc/66/10/25/559661025.db2.gz QCLKQBQGZGVCGG-HOCLYGCPSA-N 2 1 359.405 2.358 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430571299 559823220 /nfs/dbraw/zinc/82/32/20/559823220.db2.gz CNGBXWXHFBFFLR-AWEZNQCLSA-N 2 1 352.435 2.237 20 5 FEBDMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000471864296 561013360 /nfs/dbraw/zinc/01/33/60/561013360.db2.gz IBVUKSDDTYZXKX-QZTJIDSGSA-N 2 1 357.458 2.463 20 5 FEBDMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475666 680949287 /nfs/dbraw/zinc/94/92/87/680949287.db2.gz XSFXEBKQOQSOOJ-KRWDZBQOSA-N 2 1 350.394 2.138 20 5 FEBDMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346344 680999040 /nfs/dbraw/zinc/99/90/40/680999040.db2.gz NOQPAWCQXZZFMF-UHFFFAOYSA-N 2 1 350.394 2.279 20 5 FEBDMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583414 686863262 /nfs/dbraw/zinc/86/32/62/686863262.db2.gz YUUONQVVUHQOKW-BLLLJJGKSA-N 2 1 350.394 2.089 20 5 FEBDMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583414 686863270 /nfs/dbraw/zinc/86/32/70/686863270.db2.gz YUUONQVVUHQOKW-BLLLJJGKSA-N 2 1 350.394 2.089 20 5 FEBDMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583414 686863279 /nfs/dbraw/zinc/86/32/79/686863279.db2.gz YUUONQVVUHQOKW-BLLLJJGKSA-N 2 1 350.394 2.089 20 5 FEBDMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583414 686863287 /nfs/dbraw/zinc/86/32/87/686863287.db2.gz YUUONQVVUHQOKW-BLLLJJGKSA-N 2 1 350.394 2.089 20 5 FEBDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000123413385 543760665 /nfs/dbraw/zinc/76/06/65/543760665.db2.gz IWFKMVXIJRMIIP-KGLIPLIRSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@@H]1C[C@@H]([NH+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@@H+]1C ZINC000123413385 543760668 /nfs/dbraw/zinc/76/06/68/543760668.db2.gz IWFKMVXIJRMIIP-KGLIPLIRSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@@H]1C[C@@H]([NH+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@H+]1C ZINC000123413385 543760670 /nfs/dbraw/zinc/76/06/70/543760670.db2.gz IWFKMVXIJRMIIP-KGLIPLIRSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@@H]1C[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[NH+]1C ZINC000123413385 543760673 /nfs/dbraw/zinc/76/06/73/543760673.db2.gz IWFKMVXIJRMIIP-KGLIPLIRSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[NH+]1C ZINC000123413385 543760675 /nfs/dbraw/zinc/76/06/75/543760675.db2.gz IWFKMVXIJRMIIP-KGLIPLIRSA-N 2 1 362.430 2.307 20 5 FEBDMP C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCC[NH+](C)C1 ZINC000152449996 544654528 /nfs/dbraw/zinc/65/45/28/544654528.db2.gz SXAKXRPKZUDKTO-AWEZNQCLSA-N 2 1 362.430 2.166 20 5 FEBDMP C[NH+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000152449996 544654533 /nfs/dbraw/zinc/65/45/33/544654533.db2.gz SXAKXRPKZUDKTO-AWEZNQCLSA-N 2 1 362.430 2.166 20 5 FEBDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954879 327297536 /nfs/dbraw/zinc/29/75/36/327297536.db2.gz IQZKYYRBIFJPME-WBVHZDCISA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954879 327297537 /nfs/dbraw/zinc/29/75/37/327297537.db2.gz IQZKYYRBIFJPME-WBVHZDCISA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954879 327297539 /nfs/dbraw/zinc/29/75/39/327297539.db2.gz IQZKYYRBIFJPME-WBVHZDCISA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954879 327297540 /nfs/dbraw/zinc/29/75/40/327297540.db2.gz IQZKYYRBIFJPME-WBVHZDCISA-N 2 1 351.447 2.141 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248459095 549443593 /nfs/dbraw/zinc/44/35/93/549443593.db2.gz NJCQOTUBHMOGIY-SJORKVTESA-N 2 1 363.458 2.285 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248459095 549443599 /nfs/dbraw/zinc/44/35/99/549443599.db2.gz NJCQOTUBHMOGIY-SJORKVTESA-N 2 1 363.458 2.285 20 5 FEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261948663 549772520 /nfs/dbraw/zinc/77/25/20/549772520.db2.gz YRVANMXIWMXNQP-IIDMSEBBSA-N 2 1 360.458 2.236 20 5 FEBDMP C[NH+]1CC=C(CNc2nc(NCC3=CC[N@@H+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000277718741 550705786 /nfs/dbraw/zinc/70/57/86/550705786.db2.gz HQJVDJRUCJWQCR-UHFFFAOYSA-N 2 1 372.473 2.337 20 5 FEBDMP C[NH+]1CC=C(CNc2ccc([N+](=O)[O-])c(NCC3=CC[N@H+](C)CC3)n2)CC1 ZINC000277718741 550705787 /nfs/dbraw/zinc/70/57/87/550705787.db2.gz HQJVDJRUCJWQCR-UHFFFAOYSA-N 2 1 372.473 2.337 20 5 FEBDMP C[NH+]1CC=C(CNc2ccc([N+](=O)[O-])c(NCC3=CC[N@@H+](C)CC3)n2)CC1 ZINC000277718741 550705788 /nfs/dbraw/zinc/70/57/88/550705788.db2.gz HQJVDJRUCJWQCR-UHFFFAOYSA-N 2 1 372.473 2.337 20 5 FEBDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000511071798 561855740 /nfs/dbraw/zinc/85/57/40/561855740.db2.gz HZOFQOSTHZYYHB-UHFFFAOYSA-N 2 1 362.474 2.058 20 5 FEBDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000511071798 561855741 /nfs/dbraw/zinc/85/57/41/561855741.db2.gz HZOFQOSTHZYYHB-UHFFFAOYSA-N 2 1 362.474 2.058 20 5 FEBDMP O=C1[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549086 555605719 /nfs/dbraw/zinc/60/57/19/555605719.db2.gz GHCLXTNGTQBECJ-KLIQENQMSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549086 555605721 /nfs/dbraw/zinc/60/57/21/555605721.db2.gz GHCLXTNGTQBECJ-KLIQENQMSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549086 555605723 /nfs/dbraw/zinc/60/57/23/555605723.db2.gz GHCLXTNGTQBECJ-KLIQENQMSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549086 555605725 /nfs/dbraw/zinc/60/57/25/555605725.db2.gz GHCLXTNGTQBECJ-KLIQENQMSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549086 555605728 /nfs/dbraw/zinc/60/57/28/555605728.db2.gz GHCLXTNGTQBECJ-KLIQENQMSA-N 2 1 370.453 2.116 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963291 556743295 /nfs/dbraw/zinc/74/32/95/556743295.db2.gz QGIRYRHXGJEYLU-FCLVOEFKSA-N 2 1 363.458 2.107 20 5 FEBDMP Cc1nc(NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000378139607 558489619 /nfs/dbraw/zinc/48/96/19/558489619.db2.gz QVAYLNXYKDVUEX-UHFFFAOYSA-N 2 1 361.490 2.906 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422631945 559599006 /nfs/dbraw/zinc/59/90/06/559599006.db2.gz GBVFUHIANPCIKW-RDBSUJKOSA-N 2 1 364.446 2.237 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422637925 559599385 /nfs/dbraw/zinc/59/93/85/559599385.db2.gz PQXQOARPILXRTG-IHRRRGAJSA-N 2 1 364.446 2.237 20 5 FEBDMP O=C(CC[N@H+]1CC[C@H](Oc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000431608574 559842462 /nfs/dbraw/zinc/84/24/62/559842462.db2.gz KOYITJCUGNGRNQ-KRWDZBQOSA-N 2 1 356.382 2.472 20 5 FEBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593659 681412681 /nfs/dbraw/zinc/41/26/81/681412681.db2.gz YZTIRSQBGNTPRU-MSOLQXFVSA-N 2 1 351.447 2.061 20 5 FEBDMP COc1cc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903166814 690859030 /nfs/dbraw/zinc/85/90/30/690859030.db2.gz DFUYYHUHBCMJNB-AWEZNQCLSA-N 2 1 350.463 2.280 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000125594349 543890489 /nfs/dbraw/zinc/89/04/89/543890489.db2.gz FMKGXOZWMFXFRA-QGZVFWFLSA-N 2 1 362.474 2.391 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129859410 544130126 /nfs/dbraw/zinc/13/01/26/544130126.db2.gz SATKEUNXTKXCFG-QGZVFWFLSA-N 2 1 363.462 2.475 20 5 FEBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000130488466 544153208 /nfs/dbraw/zinc/15/32/08/544153208.db2.gz LXFSJRRBVDWABF-KRWDZBQOSA-N 2 1 357.414 2.227 20 5 FEBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000130488466 544153211 /nfs/dbraw/zinc/15/32/11/544153211.db2.gz LXFSJRRBVDWABF-KRWDZBQOSA-N 2 1 357.414 2.227 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299702589 553603303 /nfs/dbraw/zinc/60/33/03/553603303.db2.gz FKAUYJOKPRNYBP-CYBMUJFWSA-N 2 1 354.476 2.144 20 5 FEBDMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366864548 555954704 /nfs/dbraw/zinc/95/47/04/555954704.db2.gz KUGZQXAQJXOEFK-MRXNPFEDSA-N 2 1 363.458 2.142 20 5 FEBDMP COc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000516624277 562051261 /nfs/dbraw/zinc/05/12/61/562051261.db2.gz XJWLYQJIFYWPTK-UHFFFAOYSA-N 2 1 371.397 2.003 20 5 FEBDMP O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377766510 558415677 /nfs/dbraw/zinc/41/56/77/558415677.db2.gz FVGMIAKTQMRMPM-MSOLQXFVSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766510 558415678 /nfs/dbraw/zinc/41/56/78/558415678.db2.gz FVGMIAKTQMRMPM-MSOLQXFVSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766510 558415679 /nfs/dbraw/zinc/41/56/79/558415679.db2.gz FVGMIAKTQMRMPM-MSOLQXFVSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766510 558415680 /nfs/dbraw/zinc/41/56/80/558415680.db2.gz FVGMIAKTQMRMPM-MSOLQXFVSA-N 2 1 355.442 2.245 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420292287 559479097 /nfs/dbraw/zinc/47/90/97/559479097.db2.gz LQAXRGCEBKRQDZ-HZPDHXFCSA-N 2 1 360.458 2.108 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420377242 559483981 /nfs/dbraw/zinc/48/39/81/559483981.db2.gz PPRMUYSMIFYLIY-SFHVURJKSA-N 2 1 362.430 2.008 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435619421 559926504 /nfs/dbraw/zinc/92/65/04/559926504.db2.gz YDNAOYKSBCFLQG-ZDUSSCGKSA-N 2 1 350.419 2.006 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435694576 559928422 /nfs/dbraw/zinc/92/84/22/559928422.db2.gz MATSUSYMYMAKJZ-INIZCTEOSA-N 2 1 361.471 2.497 20 5 FEBDMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448710214 560195780 /nfs/dbraw/zinc/19/57/80/560195780.db2.gz SSHRDCYLWPMAGX-GJZGRUSLSA-N 2 1 355.398 2.137 20 5 FEBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000866259418 684086839 /nfs/dbraw/zinc/08/68/39/684086839.db2.gz BCTQCJBDNQTZSA-HNNXBMFYSA-N 2 1 352.454 2.282 20 5 FEBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000866261905 684087226 /nfs/dbraw/zinc/08/72/26/684087226.db2.gz ATOYQENTNXYNGO-WMLDXEAASA-N 2 1 353.438 2.491 20 5 FEBDMP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714107 547365527 /nfs/dbraw/zinc/36/55/27/547365527.db2.gz QAVYUDKFDYKFDC-AWEZNQCLSA-N 2 1 364.421 2.480 20 5 FEBDMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714107 547365533 /nfs/dbraw/zinc/36/55/33/547365533.db2.gz QAVYUDKFDYKFDC-AWEZNQCLSA-N 2 1 364.421 2.480 20 5 FEBDMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455351 549442228 /nfs/dbraw/zinc/44/22/28/549442228.db2.gz KXDUBAKFJJSARM-HZPDHXFCSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455351 549442232 /nfs/dbraw/zinc/44/22/32/549442232.db2.gz KXDUBAKFJJSARM-HZPDHXFCSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455351 549442235 /nfs/dbraw/zinc/44/22/35/549442235.db2.gz KXDUBAKFJJSARM-HZPDHXFCSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455351 549442238 /nfs/dbraw/zinc/44/22/38/549442238.db2.gz KXDUBAKFJJSARM-HZPDHXFCSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455351 549442242 /nfs/dbraw/zinc/44/22/42/549442242.db2.gz KXDUBAKFJJSARM-HZPDHXFCSA-N 2 1 351.447 2.141 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000262064157 549785666 /nfs/dbraw/zinc/78/56/66/549785666.db2.gz ATIUSKMEYPQHOG-QGZVFWFLSA-N 2 1 356.426 2.334 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422631944 559598903 /nfs/dbraw/zinc/59/89/03/559598903.db2.gz GBVFUHIANPCIKW-MJBXVCDLSA-N 2 1 364.446 2.237 20 5 FEBDMP COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000474365399 561072237 /nfs/dbraw/zinc/07/22/37/561072237.db2.gz AQBLBOOFYSKJPX-CABCVRRESA-N 2 1 365.430 2.109 20 5 FEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662762 562419707 /nfs/dbraw/zinc/41/97/07/562419707.db2.gz NXUIKOHITLHVPX-YQQAZPJKSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662762 562419708 /nfs/dbraw/zinc/41/97/08/562419708.db2.gz NXUIKOHITLHVPX-YQQAZPJKSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662762 562419709 /nfs/dbraw/zinc/41/97/09/562419709.db2.gz NXUIKOHITLHVPX-YQQAZPJKSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849077058 681649670 /nfs/dbraw/zinc/64/96/70/681649670.db2.gz JGGOBWIZWYCDHM-AWEZNQCLSA-N 2 1 353.854 2.389 20 5 FEBDMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583416 686863507 /nfs/dbraw/zinc/86/35/07/686863507.db2.gz YUUONQVVUHQOKW-MLGOLLRUSA-N 2 1 350.394 2.089 20 5 FEBDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583416 686863513 /nfs/dbraw/zinc/86/35/13/686863513.db2.gz YUUONQVVUHQOKW-MLGOLLRUSA-N 2 1 350.394 2.089 20 5 FEBDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583416 686863518 /nfs/dbraw/zinc/86/35/18/686863518.db2.gz YUUONQVVUHQOKW-MLGOLLRUSA-N 2 1 350.394 2.089 20 5 FEBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583416 686863527 /nfs/dbraw/zinc/86/35/27/686863527.db2.gz YUUONQVVUHQOKW-MLGOLLRUSA-N 2 1 350.394 2.089 20 5 FEBDMP COc1cc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903166815 690859091 /nfs/dbraw/zinc/85/90/91/690859091.db2.gz DFUYYHUHBCMJNB-CQSZACIVSA-N 2 1 350.463 2.280 20 5 FEBDMP CC(C)[N@H+](C)Cc1nn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c2c1CC[NH2+]C2 ZINC001164681648 719631617 /nfs/dbraw/zinc/63/16/17/719631617.db2.gz KGKPQNURAFNZPN-UHFFFAOYSA-N 2 1 369.429 2.143 20 5 FEBDMP CC(C)[N@@H+](C)Cc1nn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c2c1CC[NH2+]C2 ZINC001164681648 719631626 /nfs/dbraw/zinc/63/16/26/719631626.db2.gz KGKPQNURAFNZPN-UHFFFAOYSA-N 2 1 369.429 2.143 20 5 FEBDMP COc1c[nH+]ccc1N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000483215239 561270741 /nfs/dbraw/zinc/27/07/41/561270741.db2.gz PQVPIZFIHVIKSZ-UHFFFAOYSA-N 2 1 358.398 2.199 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000505774655 561680460 /nfs/dbraw/zinc/68/04/60/561680460.db2.gz XWDAKMFLLLOETB-OAHLLOKOSA-N 2 1 366.437 2.222 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000508087411 561751120 /nfs/dbraw/zinc/75/11/20/561751120.db2.gz JBSMYJIOYSPHNC-AWEZNQCLSA-N 2 1 368.503 2.453 20 5 FEBDMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374073692 557818857 /nfs/dbraw/zinc/81/88/57/557818857.db2.gz CGGRRTMETQKVKJ-KRWDZBQOSA-N 2 1 363.458 2.142 20 5 FEBDMP Cc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000525657806 562251592 /nfs/dbraw/zinc/25/15/92/562251592.db2.gz ASBBBZULYUWXPB-UHFFFAOYSA-N 2 1 355.398 2.302 20 5 FEBDMP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000525686538 562252160 /nfs/dbraw/zinc/25/21/60/562252160.db2.gz RQRPRQINTCDBNI-KRWDZBQOSA-N 2 1 362.474 2.204 20 5 FEBDMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000525686538 562252161 /nfs/dbraw/zinc/25/21/61/562252161.db2.gz RQRPRQINTCDBNI-KRWDZBQOSA-N 2 1 362.474 2.204 20 5 FEBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+] ZINC000422642543 559599708 /nfs/dbraw/zinc/59/97/08/559599708.db2.gz ZNYUVUZARBPDPG-MGPQQGTHSA-N 2 1 362.430 2.198 20 5 FEBDMP CC1(C)C[C@@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122371 559872409 /nfs/dbraw/zinc/87/24/09/559872409.db2.gz VPNHRPYMYGTYCU-RDTXWAMCSA-N 2 1 374.485 2.494 20 5 FEBDMP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122371 559872411 /nfs/dbraw/zinc/87/24/11/559872411.db2.gz VPNHRPYMYGTYCU-RDTXWAMCSA-N 2 1 374.485 2.494 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435690013 559928221 /nfs/dbraw/zinc/92/82/21/559928221.db2.gz AWXLXKAGSDDUNJ-OAHLLOKOSA-N 2 1 361.471 2.497 20 5 FEBDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451557829 560314532 /nfs/dbraw/zinc/31/45/32/560314532.db2.gz FKEQCGNUHWEOOE-QGZVFWFLSA-N 2 1 374.485 2.375 20 5 FEBDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451557829 560314533 /nfs/dbraw/zinc/31/45/33/560314533.db2.gz FKEQCGNUHWEOOE-QGZVFWFLSA-N 2 1 374.485 2.375 20 5 FEBDMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000471864005 561013394 /nfs/dbraw/zinc/01/33/94/561013394.db2.gz HFHPKKZBRHUBFO-PKOBYXMFSA-N 2 1 357.458 2.463 20 5 FEBDMP C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843362407 680999757 /nfs/dbraw/zinc/99/97/57/680999757.db2.gz FWLTVYPQILCVRH-ONXXMXGDSA-N 2 1 350.394 2.277 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000855346296 682659758 /nfs/dbraw/zinc/65/97/58/682659758.db2.gz VNNRRNGTGWRAEC-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000855346296 682659761 /nfs/dbraw/zinc/65/97/61/682659761.db2.gz VNNRRNGTGWRAEC-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108369546 543287488 /nfs/dbraw/zinc/28/74/88/543287488.db2.gz FLIXCSBKZHLAHP-UHFFFAOYSA-N 2 1 364.446 2.394 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000125591911 543890792 /nfs/dbraw/zinc/89/07/92/543890792.db2.gz QHEUFYMYAZESBS-QGZVFWFLSA-N 2 1 362.474 2.391 20 5 FEBDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000127961011 544024772 /nfs/dbraw/zinc/02/47/72/544024772.db2.gz YTMPGJXPEXHOJL-ROUUACIJSA-N 2 1 374.485 2.093 20 5 FEBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938270 544081994 /nfs/dbraw/zinc/08/19/94/544081994.db2.gz KVEAIWADEZBDKG-DYVFJYSZSA-N 2 1 364.421 2.479 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489829539 561420139 /nfs/dbraw/zinc/42/01/39/561420139.db2.gz SCRNAKLIZZGDEG-CYBMUJFWSA-N 2 1 350.419 2.135 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427844 553561669 /nfs/dbraw/zinc/56/16/69/553561669.db2.gz XJPSPZFMWKIITI-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427844 553561671 /nfs/dbraw/zinc/56/16/71/553561671.db2.gz XJPSPZFMWKIITI-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427844 553561673 /nfs/dbraw/zinc/56/16/73/553561673.db2.gz XJPSPZFMWKIITI-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427844 553561675 /nfs/dbraw/zinc/56/16/75/553561675.db2.gz XJPSPZFMWKIITI-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000299446050 553564174 /nfs/dbraw/zinc/56/41/74/553564174.db2.gz YQRAISKGNCPDOZ-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000299446050 553564175 /nfs/dbraw/zinc/56/41/75/553564175.db2.gz YQRAISKGNCPDOZ-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299446050 553564176 /nfs/dbraw/zinc/56/41/76/553564176.db2.gz YQRAISKGNCPDOZ-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299446050 553564178 /nfs/dbraw/zinc/56/41/78/553564178.db2.gz YQRAISKGNCPDOZ-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257250 555065578 /nfs/dbraw/zinc/06/55/78/555065578.db2.gz VKYCAOMEBNFTOY-ZTFGCOKTSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257250 555065580 /nfs/dbraw/zinc/06/55/80/555065580.db2.gz VKYCAOMEBNFTOY-ZTFGCOKTSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257250 555065583 /nfs/dbraw/zinc/06/55/83/555065583.db2.gz VKYCAOMEBNFTOY-ZTFGCOKTSA-N 2 1 358.442 2.340 20 5 FEBDMP Cc1cc([N+](=O)[O-])cnc1NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370315058 556837777 /nfs/dbraw/zinc/83/77/77/556837777.db2.gz IPSRRMKBKZIHLE-UHFFFAOYSA-N 2 1 361.490 2.906 20 5 FEBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306521 557139311 /nfs/dbraw/zinc/13/93/11/557139311.db2.gz VXYCJCGVOMBCEP-QGZVFWFLSA-N 2 1 362.474 2.074 20 5 FEBDMP COc1cc(C[NH2+]C[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414880922 559192603 /nfs/dbraw/zinc/19/26/03/559192603.db2.gz RJZFEDAAFFPZPR-SECBINFHSA-N 2 1 351.325 2.229 20 5 FEBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329555 559480981 /nfs/dbraw/zinc/48/09/81/559480981.db2.gz OQZLDVIWNRLGBK-HUUCEWRRSA-N 2 1 357.414 2.466 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000596359329 673379549 /nfs/dbraw/zinc/37/95/49/673379549.db2.gz AMHNUUNBWDRYPF-NSHDSACASA-N 2 1 374.283 2.436 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000596359329 673379551 /nfs/dbraw/zinc/37/95/51/673379551.db2.gz AMHNUUNBWDRYPF-NSHDSACASA-N 2 1 374.283 2.436 20 5 FEBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000872031784 684916256 /nfs/dbraw/zinc/91/62/56/684916256.db2.gz MRCKOGUOMBMSTC-ZDUSSCGKSA-N 2 1 366.487 2.131 20 5 FEBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000482853422 561261395 /nfs/dbraw/zinc/26/13/95/561261395.db2.gz CSSCWDKRBFUAJE-OAHLLOKOSA-N 2 1 362.474 2.497 20 5 FEBDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611599 549174270 /nfs/dbraw/zinc/17/42/70/549174270.db2.gz PQUWCRPRGYSSIF-SJORKVTESA-N 2 1 362.474 2.343 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000299712730 553605711 /nfs/dbraw/zinc/60/57/11/553605711.db2.gz JBDGDSMKGNMBGY-AWEZNQCLSA-N 2 1 354.476 2.144 20 5 FEBDMP Cc1nn(C)c(NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000371885026 557319733 /nfs/dbraw/zinc/31/97/33/557319733.db2.gz YCVMBUGLNZIDBU-UHFFFAOYSA-N 2 1 364.494 2.245 20 5 FEBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376799347 558222835 /nfs/dbraw/zinc/22/28/35/558222835.db2.gz PEVWXHCFFFWVMX-SFHVURJKSA-N 2 1 362.474 2.074 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323666 559480534 /nfs/dbraw/zinc/48/05/34/559480534.db2.gz GQAFXCFTOSLENP-CABCVRRESA-N 2 1 357.414 2.466 20 5 FEBDMP [NH3+]C[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000420374787 559483845 /nfs/dbraw/zinc/48/38/45/559483845.db2.gz SLZDNCPWUJGRHA-HNNXBMFYSA-N 2 1 362.430 2.390 20 5 FEBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402125 559485728 /nfs/dbraw/zinc/48/57/28/559485728.db2.gz QGGKEEZZYOLKRN-ZBFHGGJFSA-N 2 1 374.441 2.357 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460877314 560754029 /nfs/dbraw/zinc/75/40/29/560754029.db2.gz CAOAVCDNOFPNDB-SFHVURJKSA-N 2 1 362.474 2.012 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000563149678 568300903 /nfs/dbraw/zinc/30/09/03/568300903.db2.gz GRTYRKVSBJRXLC-OAHLLOKOSA-N 2 1 357.414 2.466 20 5 FEBDMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C[NH3+] ZINC000817880355 675184792 /nfs/dbraw/zinc/18/47/92/675184792.db2.gz QFMFYBFAGOZFCP-AGIUHOORSA-N 2 1 352.410 2.368 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596449392 673385677 /nfs/dbraw/zinc/38/56/77/673385677.db2.gz HQCBSUPTUWWYOJ-LBPRGKRZSA-N 2 1 355.414 2.127 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596449392 673385681 /nfs/dbraw/zinc/38/56/81/673385681.db2.gz HQCBSUPTUWWYOJ-LBPRGKRZSA-N 2 1 355.414 2.127 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000843355472 680999551 /nfs/dbraw/zinc/99/95/51/680999551.db2.gz RAMSRKIJUQVVKJ-UHFFFAOYSA-N 2 1 350.419 2.134 20 5 FEBDMP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843387845 681000827 /nfs/dbraw/zinc/00/08/27/681000827.db2.gz WRDSJHBUUMIOGK-TXEJJXNPSA-N 2 1 352.822 2.118 20 5 FEBDMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843387845 681000828 /nfs/dbraw/zinc/00/08/28/681000828.db2.gz WRDSJHBUUMIOGK-TXEJJXNPSA-N 2 1 352.822 2.118 20 5 FEBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000130488732 544152931 /nfs/dbraw/zinc/15/29/31/544152931.db2.gz NQTUUMMHSBMBGA-UHFFFAOYSA-N 2 1 373.413 2.420 20 5 FEBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000130488732 544152933 /nfs/dbraw/zinc/15/29/33/544152933.db2.gz NQTUUMMHSBMBGA-UHFFFAOYSA-N 2 1 373.413 2.420 20 5 FEBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433173055 330274650 /nfs/dbraw/zinc/27/46/50/330274650.db2.gz IVAHNYGNYBIJBU-QGZVFWFLSA-N 2 1 360.458 2.071 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157233571 545716097 /nfs/dbraw/zinc/71/60/97/545716097.db2.gz CFBNYWZKXQXYAV-FUHWJXTLSA-N 2 1 363.458 2.285 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157233571 545716100 /nfs/dbraw/zinc/71/61/00/545716100.db2.gz CFBNYWZKXQXYAV-FUHWJXTLSA-N 2 1 363.458 2.285 20 5 FEBDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000482545495 561255931 /nfs/dbraw/zinc/25/59/31/561255931.db2.gz YTMPGJXPEXHOJL-QZTJIDSGSA-N 2 1 374.485 2.093 20 5 FEBDMP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-n3ccnc3)nc2)c([N+](=O)[O-])c1 ZINC000365791554 555668440 /nfs/dbraw/zinc/66/84/40/555668440.db2.gz ABFFUKVLQUVDRX-UHFFFAOYSA-N 2 1 354.326 2.374 20 5 FEBDMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000430591533 559823920 /nfs/dbraw/zinc/82/39/20/559823920.db2.gz KIEZEJRHXKUQAW-ZDUSSCGKSA-N 2 1 364.446 2.252 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452096530 560351130 /nfs/dbraw/zinc/35/11/30/560351130.db2.gz NWJDGHLRCXHBHU-UHFFFAOYSA-N 2 1 364.446 2.396 20 5 FEBDMP O=C(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)NCC[NH+]1CCCCCC1 ZINC000816620662 675068990 /nfs/dbraw/zinc/06/89/90/675068990.db2.gz FQAGDHVFCIXCQD-UHFFFAOYSA-N 2 1 368.865 2.330 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000595006658 673185709 /nfs/dbraw/zinc/18/57/09/673185709.db2.gz HVMOIOYOOJWPNF-OAHLLOKOSA-N 2 1 350.463 2.282 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000595015427 673186445 /nfs/dbraw/zinc/18/64/45/673186445.db2.gz DTXBWCCETQDWQB-GDBMZVCRSA-N 2 1 351.447 2.491 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597941662 673521888 /nfs/dbraw/zinc/52/18/88/673521888.db2.gz CRHWEZXPVQIBBV-ZDUSSCGKSA-N 2 1 370.881 2.179 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597941662 673521890 /nfs/dbraw/zinc/52/18/90/673521890.db2.gz CRHWEZXPVQIBBV-ZDUSSCGKSA-N 2 1 370.881 2.179 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000118842769 326107483 /nfs/dbraw/zinc/10/74/83/326107483.db2.gz CEBJQYSQTMKQMT-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000118842769 326107485 /nfs/dbraw/zinc/10/74/85/326107485.db2.gz CEBJQYSQTMKQMT-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000118842769 326107488 /nfs/dbraw/zinc/10/74/88/326107488.db2.gz CEBJQYSQTMKQMT-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181945374 547410722 /nfs/dbraw/zinc/41/07/22/547410722.db2.gz NJIULUTXVRFGTG-INIZCTEOSA-N 2 1 351.447 2.141 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000508460178 561762819 /nfs/dbraw/zinc/76/28/19/561762819.db2.gz XSVLUCGRRFMOTE-GOSISDBHSA-N 2 1 362.474 2.012 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000361099220 554904127 /nfs/dbraw/zinc/90/41/27/554904127.db2.gz BQAIAINRVYLVCO-AYOQOUSVSA-N 2 1 363.458 2.453 20 5 FEBDMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000363532948 555130484 /nfs/dbraw/zinc/13/04/84/555130484.db2.gz FVDCSKOFAMSDPK-UHFFFAOYSA-N 2 1 372.473 2.068 20 5 FEBDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000363532948 555130488 /nfs/dbraw/zinc/13/04/88/555130488.db2.gz FVDCSKOFAMSDPK-UHFFFAOYSA-N 2 1 372.473 2.068 20 5 FEBDMP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000366733730 555920904 /nfs/dbraw/zinc/92/09/04/555920904.db2.gz BSNKKXCKYDEGAJ-IBGZPJMESA-N 2 1 363.458 2.203 20 5 FEBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000366733730 555920906 /nfs/dbraw/zinc/92/09/06/555920906.db2.gz BSNKKXCKYDEGAJ-IBGZPJMESA-N 2 1 363.458 2.203 20 5 FEBDMP O=[N+]([O-])c1ccn(CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377760043 558413690 /nfs/dbraw/zinc/41/36/90/558413690.db2.gz INGSVZKCBBMUJX-QZTJIDSGSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377760043 558413693 /nfs/dbraw/zinc/41/36/93/558413693.db2.gz INGSVZKCBBMUJX-QZTJIDSGSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377760043 558413696 /nfs/dbraw/zinc/41/36/96/558413696.db2.gz INGSVZKCBBMUJX-QZTJIDSGSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377760043 558413699 /nfs/dbraw/zinc/41/36/99/558413699.db2.gz INGSVZKCBBMUJX-QZTJIDSGSA-N 2 1 355.442 2.245 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344559 559482124 /nfs/dbraw/zinc/48/21/24/559482124.db2.gz UDDLQAJGCWJZFW-OAHLLOKOSA-N 2 1 362.430 2.006 20 5 FEBDMP Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423430614 559629036 /nfs/dbraw/zinc/62/90/36/559629036.db2.gz HZSCAKNZKQCHES-RCCFBDPRSA-N 2 1 355.442 2.395 20 5 FEBDMP CC1(C)C[C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122369 559872403 /nfs/dbraw/zinc/87/24/03/559872403.db2.gz VPNHRPYMYGTYCU-KSSFIOAISA-N 2 1 374.485 2.494 20 5 FEBDMP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122369 559872405 /nfs/dbraw/zinc/87/24/05/559872405.db2.gz VPNHRPYMYGTYCU-KSSFIOAISA-N 2 1 374.485 2.494 20 5 FEBDMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC000903092766 690843227 /nfs/dbraw/zinc/84/32/27/690843227.db2.gz LMPIQLPGPAQFRO-GDBMZVCRSA-N 2 1 351.447 2.491 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000118842767 326107935 /nfs/dbraw/zinc/10/79/35/326107935.db2.gz CEBJQYSQTMKQMT-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000118842767 326107937 /nfs/dbraw/zinc/10/79/37/326107937.db2.gz CEBJQYSQTMKQMT-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000118842767 326107940 /nfs/dbraw/zinc/10/79/40/326107940.db2.gz CEBJQYSQTMKQMT-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157233724 545716166 /nfs/dbraw/zinc/71/61/66/545716166.db2.gz CFBNYWZKXQXYAV-WMZOPIPTSA-N 2 1 363.458 2.285 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157233724 545716170 /nfs/dbraw/zinc/71/61/70/545716170.db2.gz CFBNYWZKXQXYAV-WMZOPIPTSA-N 2 1 363.458 2.285 20 5 FEBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000177483604 546629011 /nfs/dbraw/zinc/62/90/11/546629011.db2.gz KAYQKCXYTCYXAZ-IYBDPMFKSA-N 2 1 365.478 2.003 20 5 FEBDMP COc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000492912837 561453392 /nfs/dbraw/zinc/45/33/92/561453392.db2.gz QGRGNIFAMLTETC-UHFFFAOYSA-N 2 1 350.463 2.061 20 5 FEBDMP COc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000492912837 561453393 /nfs/dbraw/zinc/45/33/93/561453393.db2.gz QGRGNIFAMLTETC-UHFFFAOYSA-N 2 1 350.463 2.061 20 5 FEBDMP C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)C1 ZINC000294259889 552892093 /nfs/dbraw/zinc/89/20/93/552892093.db2.gz SYMCXQLSVSVOSB-LJQANCHMSA-N 2 1 369.425 2.338 20 5 FEBDMP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCN(c2ccccn2)CC1 ZINC000363675414 555161581 /nfs/dbraw/zinc/16/15/81/555161581.db2.gz IPBQEWGFVTWSPQ-UHFFFAOYSA-N 2 1 369.425 2.190 20 5 FEBDMP CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCN(c2ccccn2)CC1 ZINC000363675414 555161582 /nfs/dbraw/zinc/16/15/82/555161582.db2.gz IPBQEWGFVTWSPQ-UHFFFAOYSA-N 2 1 369.425 2.190 20 5 FEBDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000365380985 555558824 /nfs/dbraw/zinc/55/88/24/555558824.db2.gz SLUQGEPYGNAYEQ-ZDUSSCGKSA-N 2 1 352.410 2.479 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420377241 559483849 /nfs/dbraw/zinc/48/38/49/559483849.db2.gz PPRMUYSMIFYLIY-GOSISDBHSA-N 2 1 362.430 2.008 20 5 FEBDMP CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCC[NH2+]CC1 ZINC000435613183 559926275 /nfs/dbraw/zinc/92/62/75/559926275.db2.gz JHFSKIRQIXURAZ-AWEZNQCLSA-N 2 1 362.430 2.357 20 5 FEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662763 562419681 /nfs/dbraw/zinc/41/96/81/562419681.db2.gz NXUIKOHITLHVPX-ZOBUZTSGSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662763 562419682 /nfs/dbraw/zinc/41/96/82/562419682.db2.gz NXUIKOHITLHVPX-ZOBUZTSGSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662763 562419683 /nfs/dbraw/zinc/41/96/83/562419683.db2.gz NXUIKOHITLHVPX-ZOBUZTSGSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146637 673694214 /nfs/dbraw/zinc/69/42/14/673694214.db2.gz TZRAOYMDCVNBJM-PMPSAXMXSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146637 673694215 /nfs/dbraw/zinc/69/42/15/673694215.db2.gz TZRAOYMDCVNBJM-PMPSAXMXSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146637 673694217 /nfs/dbraw/zinc/69/42/17/673694217.db2.gz TZRAOYMDCVNBJM-PMPSAXMXSA-N 2 1 351.447 2.139 20 5 FEBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000491137050 561443327 /nfs/dbraw/zinc/44/33/27/561443327.db2.gz NEDLZAMVUBTPRW-OAHLLOKOSA-N 2 1 356.426 2.334 20 5 FEBDMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659165 555157645 /nfs/dbraw/zinc/15/76/45/555157645.db2.gz GKZHKNRVBBTOIF-INMHGKMJSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659165 555157648 /nfs/dbraw/zinc/15/76/48/555157648.db2.gz GKZHKNRVBBTOIF-INMHGKMJSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659165 555157651 /nfs/dbraw/zinc/15/76/51/555157651.db2.gz GKZHKNRVBBTOIF-INMHGKMJSA-N 2 1 358.442 2.340 20 5 FEBDMP CC[NH+]1CCC([N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000376355555 558162418 /nfs/dbraw/zinc/16/24/18/558162418.db2.gz TWQZHBSOUMNONV-KRWDZBQOSA-N 2 1 363.458 2.283 20 5 FEBDMP CC[NH+]1CCC([N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000376355555 558162419 /nfs/dbraw/zinc/16/24/19/558162419.db2.gz TWQZHBSOUMNONV-KRWDZBQOSA-N 2 1 363.458 2.283 20 5 FEBDMP O=[N+]([O-])c1ccn(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377760046 558413866 /nfs/dbraw/zinc/41/38/66/558413866.db2.gz INGSVZKCBBMUJX-ZWKOTPCHSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377760046 558413867 /nfs/dbraw/zinc/41/38/67/558413867.db2.gz INGSVZKCBBMUJX-ZWKOTPCHSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377760046 558413868 /nfs/dbraw/zinc/41/38/68/558413868.db2.gz INGSVZKCBBMUJX-ZWKOTPCHSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377760046 558413869 /nfs/dbraw/zinc/41/38/69/558413869.db2.gz INGSVZKCBBMUJX-ZWKOTPCHSA-N 2 1 355.442 2.245 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422637926 559599289 /nfs/dbraw/zinc/59/92/89/559599289.db2.gz PQXQOARPILXRTG-MCIONIFRSA-N 2 1 364.446 2.237 20 5 FEBDMP CC1(C)C[C@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122368 559872465 /nfs/dbraw/zinc/87/24/65/559872465.db2.gz VPNHRPYMYGTYCU-KDOFPFPSSA-N 2 1 374.485 2.494 20 5 FEBDMP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122368 559872467 /nfs/dbraw/zinc/87/24/67/559872467.db2.gz VPNHRPYMYGTYCU-KDOFPFPSSA-N 2 1 374.485 2.494 20 5 FEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000468635755 560934632 /nfs/dbraw/zinc/93/46/32/560934632.db2.gz STFNGBWQBIIXGY-HKBKRHGFSA-N 2 1 360.458 2.175 20 5 FEBDMP Cc1c(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000533040296 562496432 /nfs/dbraw/zinc/49/64/32/562496432.db2.gz OVJRCUBUIFRNEY-UHFFFAOYSA-N 2 1 369.425 2.231 20 5 FEBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C[NH3+] ZINC000817880357 675184740 /nfs/dbraw/zinc/18/47/40/675184740.db2.gz QFMFYBFAGOZFCP-JHJVBQTASA-N 2 1 352.410 2.368 20 5 FEBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000841069666 680861655 /nfs/dbraw/zinc/86/16/55/680861655.db2.gz BWYCGFOTWPKJKO-ZDUSSCGKSA-N 2 1 366.771 2.174 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855346246 682659845 /nfs/dbraw/zinc/65/98/45/682659845.db2.gz SXYCQJWEUPNDCG-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855346246 682659847 /nfs/dbraw/zinc/65/98/47/682659847.db2.gz SXYCQJWEUPNDCG-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP COc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000101595660 543036315 /nfs/dbraw/zinc/03/63/15/543036315.db2.gz NXVZPOUHKZGSTG-OKILXGFUSA-N 2 1 367.446 2.288 20 5 FEBDMP C[N@H+]1CCC[C@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248746 561315705 /nfs/dbraw/zinc/31/57/05/561315705.db2.gz HQUGYORKNNLVMW-GOEBONIOSA-N 2 1 374.441 2.309 20 5 FEBDMP C[NH+]1CCC[C@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248746 561315706 /nfs/dbraw/zinc/31/57/06/561315706.db2.gz HQUGYORKNNLVMW-GOEBONIOSA-N 2 1 374.441 2.309 20 5 FEBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248746 561315707 /nfs/dbraw/zinc/31/57/07/561315707.db2.gz HQUGYORKNNLVMW-GOEBONIOSA-N 2 1 374.441 2.309 20 5 FEBDMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239971 552707598 /nfs/dbraw/zinc/70/75/98/552707598.db2.gz WQNRBHPHZGQVHR-QGZVFWFLSA-N 2 1 350.394 2.090 20 5 FEBDMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239971 552707600 /nfs/dbraw/zinc/70/76/00/552707600.db2.gz WQNRBHPHZGQVHR-QGZVFWFLSA-N 2 1 350.394 2.090 20 5 FEBDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239971 552707601 /nfs/dbraw/zinc/70/76/01/552707601.db2.gz WQNRBHPHZGQVHR-QGZVFWFLSA-N 2 1 350.394 2.090 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000505774654 561680498 /nfs/dbraw/zinc/68/04/98/561680498.db2.gz XWDAKMFLLLOETB-HNNXBMFYSA-N 2 1 366.437 2.222 20 5 FEBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncc([N+](=O)[O-])cn1 ZINC000368190761 556243754 /nfs/dbraw/zinc/24/37/54/556243754.db2.gz WMQPVPLXLGMUSR-UHFFFAOYSA-N 2 1 362.478 2.017 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963294 556743269 /nfs/dbraw/zinc/74/32/69/556743269.db2.gz QGIRYRHXGJEYLU-ZWQIFLOQSA-N 2 1 363.458 2.107 20 5 FEBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000518431028 562111349 /nfs/dbraw/zinc/11/13/49/562111349.db2.gz OEOMLFFPGSAEQF-UHFFFAOYSA-N 2 1 356.386 2.386 20 5 FEBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417300707 559356486 /nfs/dbraw/zinc/35/64/86/559356486.db2.gz ASQQGWJKXMJDBS-SFHVURJKSA-N 2 1 360.458 2.116 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420310733 559479675 /nfs/dbraw/zinc/47/96/75/559479675.db2.gz GDYWVJJZVJXZIB-NNQSOWQGSA-N 2 1 362.430 2.147 20 5 FEBDMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340060 559482004 /nfs/dbraw/zinc/48/20/04/559482004.db2.gz ZTVYTDKBQBPYDX-HDMKZQKVSA-N 2 1 358.442 2.022 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420370265 559483427 /nfs/dbraw/zinc/48/34/27/559483427.db2.gz OWFWVTUBAKTFGE-INIZCTEOSA-N 2 1 364.446 2.429 20 5 FEBDMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000931353834 684266704 /nfs/dbraw/zinc/26/67/04/684266704.db2.gz FHFOTPIJJDZCRB-UHFFFAOYSA-N 2 1 352.410 2.479 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154372126 544897854 /nfs/dbraw/zinc/89/78/54/544897854.db2.gz YTXRUALOJLVUBY-BYICEURKSA-N 2 1 372.469 2.286 20 5 FEBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275539897 330061344 /nfs/dbraw/zinc/06/13/44/330061344.db2.gz MNTWTMXEMINTAR-KBPBESRZSA-N 2 1 357.414 2.361 20 5 FEBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275539901 330061396 /nfs/dbraw/zinc/06/13/96/330061396.db2.gz MNTWTMXEMINTAR-KGLIPLIRSA-N 2 1 357.414 2.361 20 5 FEBDMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000281486885 551103656 /nfs/dbraw/zinc/10/36/56/551103656.db2.gz XBQUTQAJBKTBMJ-UHFFFAOYSA-N 2 1 352.410 2.480 20 5 FEBDMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000363532841 555130364 /nfs/dbraw/zinc/13/03/64/555130364.db2.gz DONQDRVMYUQKHU-UHFFFAOYSA-N 2 1 372.473 2.068 20 5 FEBDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000363532841 555130366 /nfs/dbraw/zinc/13/03/66/555130366.db2.gz DONQDRVMYUQKHU-UHFFFAOYSA-N 2 1 372.473 2.068 20 5 FEBDMP COc1c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000527235707 562281483 /nfs/dbraw/zinc/28/14/83/562281483.db2.gz BKBYQFSTXSNCJN-UHFFFAOYSA-N 2 1 371.397 2.003 20 5 FEBDMP COCC1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423409537 559628094 /nfs/dbraw/zinc/62/80/94/559628094.db2.gz QIEUGQZTUCOFDU-KRWDZBQOSA-N 2 1 373.457 2.024 20 5 FEBDMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562571 560164616 /nfs/dbraw/zinc/16/46/16/560164616.db2.gz MIGMFZANJPNZBV-CRAIPNDOSA-N 2 1 360.458 2.149 20 5 FEBDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562571 560164617 /nfs/dbraw/zinc/16/46/17/560164617.db2.gz MIGMFZANJPNZBV-CRAIPNDOSA-N 2 1 360.458 2.149 20 5 FEBDMP CC(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000470019090 560972358 /nfs/dbraw/zinc/97/23/58/560972358.db2.gz RDEQNIPZKQJHBT-KRWDZBQOSA-N 2 1 374.485 2.362 20 5 FEBDMP C[NH+](C)CCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000596423805 673384053 /nfs/dbraw/zinc/38/40/53/673384053.db2.gz CJUHKPNBZHBCTA-UHFFFAOYSA-N 2 1 360.256 2.048 20 5 FEBDMP C[NH+](C)CCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000596423805 673384056 /nfs/dbraw/zinc/38/40/56/673384056.db2.gz CJUHKPNBZHBCTA-UHFFFAOYSA-N 2 1 360.256 2.048 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000597941491 673521676 /nfs/dbraw/zinc/52/16/76/673521676.db2.gz BCYNGVPVRMQGGV-GJZGRUSLSA-N 2 1 350.463 2.087 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000597941491 673521679 /nfs/dbraw/zinc/52/16/79/673521679.db2.gz BCYNGVPVRMQGGV-GJZGRUSLSA-N 2 1 350.463 2.087 20 5 FEBDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174881789 327357470 /nfs/dbraw/zinc/35/74/70/327357470.db2.gz NEDQCMOEKVLFFG-GOSISDBHSA-N 2 1 362.474 2.076 20 5 FEBDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174881789 327357472 /nfs/dbraw/zinc/35/74/72/327357472.db2.gz NEDQCMOEKVLFFG-GOSISDBHSA-N 2 1 362.474 2.076 20 5 FEBDMP COc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000289548661 552338620 /nfs/dbraw/zinc/33/86/20/552338620.db2.gz XKIPPRVVRFWMNN-UHFFFAOYSA-N 2 1 362.474 2.063 20 5 FEBDMP CC(C)c1nccn1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000361178783 554908309 /nfs/dbraw/zinc/90/83/09/554908309.db2.gz GYTUSUKZYOYGDH-OAHLLOKOSA-N 2 1 359.430 2.414 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343932 555295542 /nfs/dbraw/zinc/29/55/42/555295542.db2.gz PULYLNSJLUHMLQ-LZQZEXGQSA-N 2 1 363.458 2.453 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420317551 559480084 /nfs/dbraw/zinc/48/00/84/559480084.db2.gz VBRMXDPBLNSREI-ZDUSSCGKSA-N 2 1 350.419 2.006 20 5 FEBDMP COc1ccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000424289672 559660837 /nfs/dbraw/zinc/66/08/37/559660837.db2.gz MGIOLKWVHHBOEB-ZDUSSCGKSA-N 2 1 362.430 2.006 20 5 FEBDMP C[C@@H]1CC2(C[N@H+]1CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)CC[NH2+]CC2 ZINC000424301645 559661006 /nfs/dbraw/zinc/66/10/06/559661006.db2.gz XXOLTGDDVCIMNB-CQSZACIVSA-N 2 1 374.441 2.357 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435690012 559928162 /nfs/dbraw/zinc/92/81/62/559928162.db2.gz AWXLXKAGSDDUNJ-HNNXBMFYSA-N 2 1 361.471 2.497 20 5 FEBDMP C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442780045 560057234 /nfs/dbraw/zinc/05/72/34/560057234.db2.gz MYKKPAMQGBFWMG-NNQSOWQGSA-N 2 1 360.414 2.108 20 5 FEBDMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000471864002 561013291 /nfs/dbraw/zinc/01/32/91/561013291.db2.gz HFHPKKZBRHUBFO-HKUYNNGSSA-N 2 1 357.458 2.463 20 5 FEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662760 562419765 /nfs/dbraw/zinc/41/97/65/562419765.db2.gz NXUIKOHITLHVPX-HLLBOEOZSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662760 562419766 /nfs/dbraw/zinc/41/97/66/562419766.db2.gz NXUIKOHITLHVPX-HLLBOEOZSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662760 562419767 /nfs/dbraw/zinc/41/97/67/562419767.db2.gz NXUIKOHITLHVPX-HLLBOEOZSA-N 2 1 351.447 2.139 20 5 FEBDMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C[NH3+] ZINC000817880356 675184730 /nfs/dbraw/zinc/18/47/30/675184730.db2.gz QFMFYBFAGOZFCP-FRRDWIJNSA-N 2 1 352.410 2.368 20 5 FEBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C[NH3+] ZINC000817880358 675184782 /nfs/dbraw/zinc/18/47/82/675184782.db2.gz QFMFYBFAGOZFCP-UPJWGTAASA-N 2 1 352.410 2.368 20 5 FEBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271637 671356550 /nfs/dbraw/zinc/35/65/50/671356550.db2.gz FYMOCWPLPXBXLZ-JKSUJKDBSA-N 2 1 351.447 2.045 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000125591368 543890337 /nfs/dbraw/zinc/89/03/37/543890337.db2.gz VATZQNFRJKGQME-QGZVFWFLSA-N 2 1 362.474 2.391 20 5 FEBDMP C[N@H+]1CCC[C@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839440 544405000 /nfs/dbraw/zinc/40/50/00/544405000.db2.gz HQUGYORKNNLVMW-HOCLYGCPSA-N 2 1 374.441 2.309 20 5 FEBDMP C[NH+]1CCC[C@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839440 544405003 /nfs/dbraw/zinc/40/50/03/544405003.db2.gz HQUGYORKNNLVMW-HOCLYGCPSA-N 2 1 374.441 2.309 20 5 FEBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839440 544405005 /nfs/dbraw/zinc/40/50/05/544405005.db2.gz HQUGYORKNNLVMW-HOCLYGCPSA-N 2 1 374.441 2.309 20 5 FEBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000262163315 549794843 /nfs/dbraw/zinc/79/48/43/549794843.db2.gz SZQJNERYAVXCOA-QGZVFWFLSA-N 2 1 356.426 2.334 20 5 FEBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000375893279 558095136 /nfs/dbraw/zinc/09/51/36/558095136.db2.gz YFSDXWUFDHGEKL-KRWDZBQOSA-N 2 1 362.474 2.074 20 5 FEBDMP C[C@@H]1C[C@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C[NH3+] ZINC000422642544 559599700 /nfs/dbraw/zinc/59/97/00/559599700.db2.gz ZNYUVUZARBPDPG-RDBSUJKOSA-N 2 1 362.430 2.198 20 5 FEBDMP COCC1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000423407251 559628184 /nfs/dbraw/zinc/62/81/84/559628184.db2.gz MEBWULVKSAGHEQ-QGZVFWFLSA-N 2 1 373.457 2.024 20 5 FEBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000470002237 560971561 /nfs/dbraw/zinc/97/15/61/560971561.db2.gz FNABGUHCEMPHNX-HNNXBMFYSA-N 2 1 372.425 2.142 20 5 FEBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457792 671370065 /nfs/dbraw/zinc/37/00/65/671370065.db2.gz RNUJHHIMANIWSI-WBVHZDCISA-N 2 1 351.447 2.045 20 5 FEBDMP CN1CC[NH+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000589194365 672512564 /nfs/dbraw/zinc/51/25/64/672512564.db2.gz BGPZECOUESVRCR-UHFFFAOYSA-N 2 1 350.438 2.193 20 5 FEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000591284962 672664949 /nfs/dbraw/zinc/66/49/49/672664949.db2.gz FQIXJADCKFLQCC-ZBFHGGJFSA-N 2 1 351.834 2.449 20 5 FEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596843786 673419241 /nfs/dbraw/zinc/41/92/41/673419241.db2.gz VAZJKJTVJYDQLH-AWEZNQCLSA-N 2 1 351.451 2.297 20 5 FEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596843786 673419245 /nfs/dbraw/zinc/41/92/45/673419245.db2.gz VAZJKJTVJYDQLH-AWEZNQCLSA-N 2 1 351.451 2.297 20 5 FEBDMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475667 680949301 /nfs/dbraw/zinc/94/93/01/680949301.db2.gz XSFXEBKQOQSOOJ-QGZVFWFLSA-N 2 1 350.394 2.138 20 5 FEBDMP CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC[NH+](C)CC1 ZINC000879704849 686891343 /nfs/dbraw/zinc/89/13/43/686891343.db2.gz VOMCDDVGJHTIKS-UHFFFAOYSA-N 2 1 350.463 2.056 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835691 542205871 /nfs/dbraw/zinc/20/58/71/542205871.db2.gz IIFVPHOLJYRWMN-AEFFLSMTSA-N 2 1 363.458 2.142 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835691 542205876 /nfs/dbraw/zinc/20/58/76/542205876.db2.gz IIFVPHOLJYRWMN-AEFFLSMTSA-N 2 1 363.458 2.142 20 5 FEBDMP C[C@@H]1C[C@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000123413022 543760147 /nfs/dbraw/zinc/76/01/47/543760147.db2.gz IWFKMVXIJRMIIP-ZIAGYGMSSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@@H]1C[C@H]([NH+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@@H+]1C ZINC000123413022 543760149 /nfs/dbraw/zinc/76/01/49/543760149.db2.gz IWFKMVXIJRMIIP-ZIAGYGMSSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@@H]1C[C@H]([NH+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@H+]1C ZINC000123413022 543760153 /nfs/dbraw/zinc/76/01/53/543760153.db2.gz IWFKMVXIJRMIIP-ZIAGYGMSSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@@H]1C[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[NH+]1C ZINC000123413022 543760157 /nfs/dbraw/zinc/76/01/57/543760157.db2.gz IWFKMVXIJRMIIP-ZIAGYGMSSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@@H]1C[C@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[NH+]1C ZINC000123413022 543760160 /nfs/dbraw/zinc/76/01/60/543760160.db2.gz IWFKMVXIJRMIIP-ZIAGYGMSSA-N 2 1 362.430 2.307 20 5 FEBDMP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)nc2c1 ZINC000083170535 325214151 /nfs/dbraw/zinc/21/41/51/325214151.db2.gz ZMFHLKABDIIEIR-UHFFFAOYSA-N 2 1 360.414 2.280 20 5 FEBDMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174875446 327356924 /nfs/dbraw/zinc/35/69/24/327356924.db2.gz PSADJZOEOWOLQU-KRWDZBQOSA-N 2 1 362.474 2.076 20 5 FEBDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174875446 327356925 /nfs/dbraw/zinc/35/69/25/327356925.db2.gz PSADJZOEOWOLQU-KRWDZBQOSA-N 2 1 362.474 2.076 20 5 FEBDMP C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159862010 545987346 /nfs/dbraw/zinc/98/73/46/545987346.db2.gz XCBYQZXNUDNCKN-GOSISDBHSA-N 2 1 370.453 2.210 20 5 FEBDMP C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159862010 545987351 /nfs/dbraw/zinc/98/73/51/545987351.db2.gz XCBYQZXNUDNCKN-GOSISDBHSA-N 2 1 370.453 2.210 20 5 FEBDMP C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159862010 545987355 /nfs/dbraw/zinc/98/73/55/545987355.db2.gz XCBYQZXNUDNCKN-GOSISDBHSA-N 2 1 370.453 2.210 20 5 FEBDMP C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159862010 545987358 /nfs/dbraw/zinc/98/73/58/545987358.db2.gz XCBYQZXNUDNCKN-GOSISDBHSA-N 2 1 370.453 2.210 20 5 FEBDMP CC(C)c1nccn1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000361178782 554908144 /nfs/dbraw/zinc/90/81/44/554908144.db2.gz GYTUSUKZYOYGDH-HNNXBMFYSA-N 2 1 359.430 2.414 20 5 FEBDMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659163 555157830 /nfs/dbraw/zinc/15/78/30/555157830.db2.gz GKZHKNRVBBTOIF-BFYDXBDKSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659163 555157832 /nfs/dbraw/zinc/15/78/32/555157832.db2.gz GKZHKNRVBBTOIF-BFYDXBDKSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659163 555157833 /nfs/dbraw/zinc/15/78/33/555157833.db2.gz GKZHKNRVBBTOIF-BFYDXBDKSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C1[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549088 555605688 /nfs/dbraw/zinc/60/56/88/555605688.db2.gz GHCLXTNGTQBECJ-WQANXHIZSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([N@H+]2C[C@@H]3[C@H]4CCCC[NH+]4C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549088 555605690 /nfs/dbraw/zinc/60/56/90/555605690.db2.gz GHCLXTNGTQBECJ-WQANXHIZSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([N@@H+]2C[C@@H]3[C@H]4CCCC[NH+]4C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549088 555605691 /nfs/dbraw/zinc/60/56/91/555605691.db2.gz GHCLXTNGTQBECJ-WQANXHIZSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([NH+]2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549088 555605693 /nfs/dbraw/zinc/60/56/93/555605693.db2.gz GHCLXTNGTQBECJ-WQANXHIZSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([NH+]2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549088 555605694 /nfs/dbraw/zinc/60/56/94/555605694.db2.gz GHCLXTNGTQBECJ-WQANXHIZSA-N 2 1 370.453 2.116 20 5 FEBDMP CN(C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000366863023 555953785 /nfs/dbraw/zinc/95/37/85/555953785.db2.gz DOZAFDJUZCPYLH-UHFFFAOYSA-N 2 1 360.458 2.365 20 5 FEBDMP COc1cc(C[NH2+][C@H](C)CC[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414883418 559192961 /nfs/dbraw/zinc/19/29/61/559192961.db2.gz AIDOOYXMMCWLCK-SECBINFHSA-N 2 1 351.325 2.371 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420317443 559480139 /nfs/dbraw/zinc/48/01/39/559480139.db2.gz OOPQQIVPKDGEJP-CYBMUJFWSA-N 2 1 350.419 2.135 20 5 FEBDMP Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000596634677 673399216 /nfs/dbraw/zinc/39/92/16/673399216.db2.gz BMCVVEDQWRVRJO-ZDUSSCGKSA-N 2 1 351.451 2.297 20 5 FEBDMP Cc1c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000596634677 673399218 /nfs/dbraw/zinc/39/92/18/673399218.db2.gz BMCVVEDQWRVRJO-ZDUSSCGKSA-N 2 1 351.451 2.297 20 5 FEBDMP CCc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597943363 673522186 /nfs/dbraw/zinc/52/21/86/673522186.db2.gz ZNMATRIBAVJNHE-AWEZNQCLSA-N 2 1 350.463 2.159 20 5 FEBDMP CCc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597943363 673522189 /nfs/dbraw/zinc/52/21/89/673522189.db2.gz ZNMATRIBAVJNHE-AWEZNQCLSA-N 2 1 350.463 2.159 20 5 FEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146632 673694182 /nfs/dbraw/zinc/69/41/82/673694182.db2.gz TZRAOYMDCVNBJM-HRCADAONSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146632 673694184 /nfs/dbraw/zinc/69/41/84/673694184.db2.gz TZRAOYMDCVNBJM-HRCADAONSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146632 673694186 /nfs/dbraw/zinc/69/41/86/673694186.db2.gz TZRAOYMDCVNBJM-HRCADAONSA-N 2 1 351.447 2.139 20 5 FEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843360291 680999797 /nfs/dbraw/zinc/99/97/97/680999797.db2.gz MHHDJOVJEKOJTO-YHWZYXNKSA-N 2 1 350.394 2.407 20 5 FEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843360291 680999798 /nfs/dbraw/zinc/99/97/98/680999798.db2.gz MHHDJOVJEKOJTO-YHWZYXNKSA-N 2 1 350.394 2.407 20 5 FEBDMP COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000877665419 686432610 /nfs/dbraw/zinc/43/26/10/686432610.db2.gz UXQMOKANRKOTLU-UHFFFAOYSA-N 2 1 351.447 2.394 20 5 FEBDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938084 544081896 /nfs/dbraw/zinc/08/18/96/544081896.db2.gz KVEAIWADEZBDKG-GUYCJALGSA-N 2 1 364.421 2.479 20 5 FEBDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000128830763 544075548 /nfs/dbraw/zinc/07/55/48/544075548.db2.gz MIZILFIHSUADMV-STQMWFEESA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000128830763 544075551 /nfs/dbraw/zinc/07/55/51/544075551.db2.gz MIZILFIHSUADMV-STQMWFEESA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000128830763 544075554 /nfs/dbraw/zinc/07/55/54/544075554.db2.gz MIZILFIHSUADMV-STQMWFEESA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[NH+]1C ZINC000128830763 544075557 /nfs/dbraw/zinc/07/55/57/544075557.db2.gz MIZILFIHSUADMV-STQMWFEESA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[NH+]1C ZINC000128830763 544075560 /nfs/dbraw/zinc/07/55/60/544075560.db2.gz MIZILFIHSUADMV-STQMWFEESA-N 2 1 352.410 2.477 20 5 FEBDMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000106164439 325587841 /nfs/dbraw/zinc/58/78/41/325587841.db2.gz CUBUNVJTNPTRPT-KRWDZBQOSA-N 2 1 374.441 2.023 20 5 FEBDMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182237867 547459124 /nfs/dbraw/zinc/45/91/24/547459124.db2.gz HMYKNGMHPKHAAA-MRXNPFEDSA-N 2 1 374.441 2.023 20 5 FEBDMP [NH3+]CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CCCC1 ZINC000489957386 561423317 /nfs/dbraw/zinc/42/33/17/561423317.db2.gz PEBGJRYOJGDDPI-UHFFFAOYSA-N 2 1 360.458 2.325 20 5 FEBDMP [NH3+]CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CCCC1 ZINC000489957386 561423318 /nfs/dbraw/zinc/42/33/18/561423318.db2.gz PEBGJRYOJGDDPI-UHFFFAOYSA-N 2 1 360.458 2.325 20 5 FEBDMP CCc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423210836 559622849 /nfs/dbraw/zinc/62/28/49/559622849.db2.gz XSAZFKYXTWLNMI-IBGZPJMESA-N 2 1 358.442 2.334 20 5 FEBDMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000430591531 559823933 /nfs/dbraw/zinc/82/39/33/559823933.db2.gz KIEZEJRHXKUQAW-CYBMUJFWSA-N 2 1 364.446 2.252 20 5 FEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662761 562419653 /nfs/dbraw/zinc/41/96/53/562419653.db2.gz NXUIKOHITLHVPX-VYDXJSESSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662761 562419654 /nfs/dbraw/zinc/41/96/54/562419654.db2.gz NXUIKOHITLHVPX-VYDXJSESSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662761 562419655 /nfs/dbraw/zinc/41/96/55/562419655.db2.gz NXUIKOHITLHVPX-VYDXJSESSA-N 2 1 351.447 2.139 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597942999 673521898 /nfs/dbraw/zinc/52/18/98/673521898.db2.gz SKEBDKQFPGCHPV-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597942999 673521899 /nfs/dbraw/zinc/52/18/99/673521899.db2.gz SKEBDKQFPGCHPV-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP COc1cc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903091708 690842926 /nfs/dbraw/zinc/84/29/26/690842926.db2.gz ZBIBRHSGSWGVDO-HNNXBMFYSA-N 2 1 350.463 2.282 20 5 FEBDMP C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)C1 ZINC000294259885 552891953 /nfs/dbraw/zinc/89/19/53/552891953.db2.gz SYMCXQLSVSVOSB-IBGZPJMESA-N 2 1 369.425 2.338 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000361099221 554904151 /nfs/dbraw/zinc/90/41/51/554904151.db2.gz BQAIAINRVYLVCO-LZQZEXGQSA-N 2 1 363.458 2.453 20 5 FEBDMP COc1ccc(NC(=O)CC[NH2+][C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420355581 559482763 /nfs/dbraw/zinc/48/27/63/559482763.db2.gz CBLSVKJXSMBQTE-INIZCTEOSA-N 2 1 364.446 2.429 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430571301 559823082 /nfs/dbraw/zinc/82/30/82/559823082.db2.gz CNGBXWXHFBFFLR-CQSZACIVSA-N 2 1 352.435 2.237 20 5 FEBDMP CCOc1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431042315 559833097 /nfs/dbraw/zinc/83/30/97/559833097.db2.gz GATMLKBFRMPJOS-UHFFFAOYSA-N 2 1 362.430 2.008 20 5 FEBDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448710213 560195942 /nfs/dbraw/zinc/19/59/42/560195942.db2.gz SSHRDCYLWPMAGX-CABCVRRESA-N 2 1 355.398 2.137 20 5 FEBDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000779654545 681736621 /nfs/dbraw/zinc/73/66/21/681736621.db2.gz OVGZCXNQHILMEI-CQSZACIVSA-N 2 1 356.810 2.356 20 5 FEBDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000779654545 681736629 /nfs/dbraw/zinc/73/66/29/681736629.db2.gz OVGZCXNQHILMEI-CQSZACIVSA-N 2 1 356.810 2.356 20 5 FEBDMP CCC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000262017379 549780519 /nfs/dbraw/zinc/78/05/19/549780519.db2.gz VUUJCWCIKYQJHY-UHFFFAOYSA-N 2 1 365.430 2.111 20 5 FEBDMP CCC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000262017379 549780520 /nfs/dbraw/zinc/78/05/20/549780520.db2.gz VUUJCWCIKYQJHY-UHFFFAOYSA-N 2 1 365.430 2.111 20 5 FEBDMP COCC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263815785 549941265 /nfs/dbraw/zinc/94/12/65/549941265.db2.gz OLMOZUMUICIZHC-UHFFFAOYSA-N 2 1 361.446 2.053 20 5 FEBDMP CCOc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000276985889 550618497 /nfs/dbraw/zinc/61/84/97/550618497.db2.gz ZBWVEUMLPHSPJZ-UHFFFAOYSA-N 2 1 350.463 2.063 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000365082284 555480996 /nfs/dbraw/zinc/48/09/96/555480996.db2.gz JQCICRUBYDFAMT-STQMWFEESA-N 2 1 373.413 2.040 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000365082282 555481277 /nfs/dbraw/zinc/48/12/77/555481277.db2.gz JQCICRUBYDFAMT-QWHCGFSZSA-N 2 1 373.413 2.040 20 5 FEBDMP CCN1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000518609816 562115094 /nfs/dbraw/zinc/11/50/94/562115094.db2.gz OBBIZSQRYWZGRQ-OKILXGFUSA-N 2 1 357.414 2.335 20 5 FEBDMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000520488456 562157536 /nfs/dbraw/zinc/15/75/36/562157536.db2.gz OXKIPYIMZXMADP-UHFFFAOYSA-N 2 1 355.398 2.302 20 5 FEBDMP O=[N+]([O-])c1ccn(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760045 558413949 /nfs/dbraw/zinc/41/39/49/558413949.db2.gz INGSVZKCBBMUJX-ROUUACIJSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760045 558413950 /nfs/dbraw/zinc/41/39/50/558413950.db2.gz INGSVZKCBBMUJX-ROUUACIJSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760045 558413951 /nfs/dbraw/zinc/41/39/51/558413951.db2.gz INGSVZKCBBMUJX-ROUUACIJSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760045 558413953 /nfs/dbraw/zinc/41/39/53/558413953.db2.gz INGSVZKCBBMUJX-ROUUACIJSA-N 2 1 355.442 2.245 20 5 FEBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378435633 558556320 /nfs/dbraw/zinc/55/63/20/558556320.db2.gz UVVUMPQSTXOTAA-SFHVURJKSA-N 2 1 362.474 2.074 20 5 FEBDMP COCC1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423409538 559628044 /nfs/dbraw/zinc/62/80/44/559628044.db2.gz QIEUGQZTUCOFDU-QGZVFWFLSA-N 2 1 373.457 2.024 20 5 FEBDMP [NH3+]C[C@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303969 559661008 /nfs/dbraw/zinc/66/10/08/559661008.db2.gz QCLKQBQGZGVCGG-ZBFHGGJFSA-N 2 1 359.405 2.358 20 5 FEBDMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431026510 559832788 /nfs/dbraw/zinc/83/27/88/559832788.db2.gz FOVVVFBGPKNDHZ-ZDUSSCGKSA-N 2 1 362.430 2.006 20 5 FEBDMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000471864297 561013428 /nfs/dbraw/zinc/01/34/28/561013428.db2.gz IBVUKSDDTYZXKX-ROUUACIJSA-N 2 1 357.458 2.463 20 5 FEBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071732 680099166 /nfs/dbraw/zinc/09/91/66/680099166.db2.gz LCTOLWDCQKFBIY-MSOLQXFVSA-N 2 1 351.447 2.061 20 5 FEBDMP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000843363512 680999762 /nfs/dbraw/zinc/99/97/62/680999762.db2.gz QSOYGIUUGIPHTL-UHFFFAOYSA-N 2 1 352.822 2.262 20 5 FEBDMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000843363512 680999764 /nfs/dbraw/zinc/99/97/64/680999764.db2.gz QSOYGIUUGIPHTL-UHFFFAOYSA-N 2 1 352.822 2.262 20 5 FEBDMP C[C@H]1C[C@@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000123413580 543760272 /nfs/dbraw/zinc/76/02/72/543760272.db2.gz IWFKMVXIJRMIIP-KBPBESRZSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@H]1C[C@@H]([NH+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@@H+]1C ZINC000123413580 543760275 /nfs/dbraw/zinc/76/02/75/543760275.db2.gz IWFKMVXIJRMIIP-KBPBESRZSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@H]1C[C@@H]([NH+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@H+]1C ZINC000123413580 543760279 /nfs/dbraw/zinc/76/02/79/543760279.db2.gz IWFKMVXIJRMIIP-KBPBESRZSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@H]1C[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[NH+]1C ZINC000123413580 543760282 /nfs/dbraw/zinc/76/02/82/543760282.db2.gz IWFKMVXIJRMIIP-KBPBESRZSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@H]1C[C@@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[NH+]1C ZINC000123413580 543760286 /nfs/dbraw/zinc/76/02/86/543760286.db2.gz IWFKMVXIJRMIIP-KBPBESRZSA-N 2 1 362.430 2.307 20 5 FEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000183331532 547638933 /nfs/dbraw/zinc/63/89/33/547638933.db2.gz QHWIDYKCZRRRBX-UHFFFAOYSA-N 2 1 374.485 2.279 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000489829542 561420107 /nfs/dbraw/zinc/42/01/07/561420107.db2.gz SCRNAKLIZZGDEG-ZDUSSCGKSA-N 2 1 350.419 2.135 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000285453166 551758953 /nfs/dbraw/zinc/75/89/53/551758953.db2.gz GKGWOZRPKTWUKW-LJQANCHMSA-N 2 1 355.442 2.389 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000285453166 551758954 /nfs/dbraw/zinc/75/89/54/551758954.db2.gz GKGWOZRPKTWUKW-LJQANCHMSA-N 2 1 355.442 2.389 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000285453166 551758956 /nfs/dbraw/zinc/75/89/56/551758956.db2.gz GKGWOZRPKTWUKW-LJQANCHMSA-N 2 1 355.442 2.389 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000285453166 551758957 /nfs/dbraw/zinc/75/89/57/551758957.db2.gz GKGWOZRPKTWUKW-LJQANCHMSA-N 2 1 355.442 2.389 20 5 FEBDMP CCOc1cc(N2CCN(CCc3cncn3C)CC2)ccc1[N+](=O)[O-] ZINC000297661700 553321791 /nfs/dbraw/zinc/32/17/91/553321791.db2.gz NZIWDBBDNYQQSZ-UHFFFAOYSA-N 2 1 359.430 2.092 20 5 FEBDMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659166 555157710 /nfs/dbraw/zinc/15/77/10/555157710.db2.gz GKZHKNRVBBTOIF-VYDXJSESSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659166 555157712 /nfs/dbraw/zinc/15/77/12/555157712.db2.gz GKZHKNRVBBTOIF-VYDXJSESSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659166 555157714 /nfs/dbraw/zinc/15/77/14/555157714.db2.gz GKZHKNRVBBTOIF-VYDXJSESSA-N 2 1 358.442 2.340 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345262 555296133 /nfs/dbraw/zinc/29/61/33/555296133.db2.gz UYCJBFPHVHGMHM-ZACQAIPSSA-N 2 1 363.458 2.453 20 5 FEBDMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374073693 557818629 /nfs/dbraw/zinc/81/86/29/557818629.db2.gz CGGRRTMETQKVKJ-QGZVFWFLSA-N 2 1 363.458 2.142 20 5 FEBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329554 559481020 /nfs/dbraw/zinc/48/10/20/559481020.db2.gz OQZLDVIWNRLGBK-GJZGRUSLSA-N 2 1 357.414 2.466 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430566462 559823066 /nfs/dbraw/zinc/82/30/66/559823066.db2.gz CMEKARPNPQJIOW-AWEZNQCLSA-N 2 1 352.435 2.237 20 5 FEBDMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562574 560164605 /nfs/dbraw/zinc/16/46/05/560164605.db2.gz MIGMFZANJPNZBV-YJBOKZPZSA-N 2 1 360.458 2.149 20 5 FEBDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562574 560164606 /nfs/dbraw/zinc/16/46/06/560164606.db2.gz MIGMFZANJPNZBV-YJBOKZPZSA-N 2 1 360.458 2.149 20 5 FEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]21 ZINC000843367263 680999965 /nfs/dbraw/zinc/99/99/65/680999965.db2.gz CBZKBXBDCCNTSC-NJZAAPMLSA-N 2 1 350.394 2.122 20 5 FEBDMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843364277 681000033 /nfs/dbraw/zinc/00/00/33/681000033.db2.gz ZFYFIEOAOGQRMZ-UHFFFAOYSA-N 2 1 352.822 2.262 20 5 FEBDMP CCO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[NH+](C)C ZINC000926960221 683189470 /nfs/dbraw/zinc/18/94/70/683189470.db2.gz FQNFLICZWQDXNP-GOSISDBHSA-N 2 1 350.463 2.120 20 5 FEBDMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000106164441 543211398 /nfs/dbraw/zinc/21/13/98/543211398.db2.gz CUBUNVJTNPTRPT-QGZVFWFLSA-N 2 1 374.441 2.023 20 5 FEBDMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000261966740 328832189 /nfs/dbraw/zinc/83/21/89/328832189.db2.gz BPCYTEVQCSLYCG-ZDUSSCGKSA-N 2 1 364.446 2.252 20 5 FEBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172020171 546234198 /nfs/dbraw/zinc/23/41/98/546234198.db2.gz ZCOLDGOGCAUPMJ-UHFFFAOYSA-N 2 1 368.865 2.138 20 5 FEBDMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000262006462 549778603 /nfs/dbraw/zinc/77/86/03/549778603.db2.gz RRSUJRDPKVIPHE-CYBMUJFWSA-N 2 1 364.446 2.252 20 5 FEBDMP O=[N+]([O-])c1cnn(CCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285605575 551781804 /nfs/dbraw/zinc/78/18/04/551781804.db2.gz PUNVYBFHVBGXAB-LJQANCHMSA-N 2 1 355.442 2.389 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427856 553561822 /nfs/dbraw/zinc/56/18/22/553561822.db2.gz XJPSPZFMWKIITI-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427856 553561823 /nfs/dbraw/zinc/56/18/23/553561823.db2.gz XJPSPZFMWKIITI-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427856 553561824 /nfs/dbraw/zinc/56/18/24/553561824.db2.gz XJPSPZFMWKIITI-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427856 553561825 /nfs/dbraw/zinc/56/18/25/553561825.db2.gz XJPSPZFMWKIITI-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP CC[NH+]1CCC([N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000371258561 557122236 /nfs/dbraw/zinc/12/22/36/557122236.db2.gz BGPKQYAEAUOCEA-SFHVURJKSA-N 2 1 363.458 2.283 20 5 FEBDMP CC[NH+]1CCC([N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000371258561 557122240 /nfs/dbraw/zinc/12/22/40/557122240.db2.gz BGPKQYAEAUOCEA-SFHVURJKSA-N 2 1 363.458 2.283 20 5 FEBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375907620 558097990 /nfs/dbraw/zinc/09/79/90/558097990.db2.gz YMOFLSOLHNUGEV-GOSISDBHSA-N 2 1 362.474 2.074 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420373773 559483691 /nfs/dbraw/zinc/48/36/91/559483691.db2.gz NFQHHVKBUDMFNZ-SFHVURJKSA-N 2 1 362.430 2.008 20 5 FEBDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448710215 560195739 /nfs/dbraw/zinc/19/57/39/560195739.db2.gz SSHRDCYLWPMAGX-HUUCEWRRSA-N 2 1 355.398 2.137 20 5 FEBDMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000471864298 561013317 /nfs/dbraw/zinc/01/33/17/561013317.db2.gz IBVUKSDDTYZXKX-ZWKOTPCHSA-N 2 1 357.458 2.463 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[NH+](C)[C@@H]3C)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000895741017 689764028 /nfs/dbraw/zinc/76/40/28/689764028.db2.gz WQAQXOJQHRRWFT-WISYIIOYSA-N 2 1 354.480 2.060 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[N@H+](C)[C@@H]3C)c([N+](=O)[O-])s2)CC[NH+]1C ZINC000895741017 689764031 /nfs/dbraw/zinc/76/40/31/689764031.db2.gz WQAQXOJQHRRWFT-WISYIIOYSA-N 2 1 354.480 2.060 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[N@@H+](C)[C@@H]3C)c([N+](=O)[O-])s2)CC[NH+]1C ZINC000895741017 689764033 /nfs/dbraw/zinc/76/40/33/689764033.db2.gz WQAQXOJQHRRWFT-WISYIIOYSA-N 2 1 354.480 2.060 20 5 FEBDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919192 547405284 /nfs/dbraw/zinc/40/52/84/547405284.db2.gz KXDUBAKFJJSARM-CVEARBPZSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919192 547405287 /nfs/dbraw/zinc/40/52/87/547405287.db2.gz KXDUBAKFJJSARM-CVEARBPZSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919192 547405289 /nfs/dbraw/zinc/40/52/89/547405289.db2.gz KXDUBAKFJJSARM-CVEARBPZSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919192 547405293 /nfs/dbraw/zinc/40/52/93/547405293.db2.gz KXDUBAKFJJSARM-CVEARBPZSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000182909894 547570426 /nfs/dbraw/zinc/57/04/26/547570426.db2.gz FRFROMJPJXADKD-GOSISDBHSA-N 2 1 362.474 2.076 20 5 FEBDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000182909894 547570428 /nfs/dbraw/zinc/57/04/28/547570428.db2.gz FRFROMJPJXADKD-GOSISDBHSA-N 2 1 362.474 2.076 20 5 FEBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000491137123 561443339 /nfs/dbraw/zinc/44/33/39/561443339.db2.gz PVNGMSXATVDHNH-QGZVFWFLSA-N 2 1 356.426 2.334 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281192976 551072387 /nfs/dbraw/zinc/07/23/87/551072387.db2.gz BVDLIPWMAIHSRP-UHFFFAOYSA-N 2 1 364.446 2.350 20 5 FEBDMP COc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000497504787 561502391 /nfs/dbraw/zinc/50/23/91/561502391.db2.gz NLQOCGMJTALXAN-JWTNVVGKSA-N 2 1 374.485 2.346 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000299446045 553563976 /nfs/dbraw/zinc/56/39/76/553563976.db2.gz YQRAISKGNCPDOZ-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000299446045 553563977 /nfs/dbraw/zinc/56/39/77/553563977.db2.gz YQRAISKGNCPDOZ-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000299446045 553563979 /nfs/dbraw/zinc/56/39/79/553563979.db2.gz YQRAISKGNCPDOZ-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000299446045 553563981 /nfs/dbraw/zinc/56/39/81/553563981.db2.gz YQRAISKGNCPDOZ-UONOGXRCSA-N 2 1 364.446 2.347 20 5 FEBDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000365380979 555558556 /nfs/dbraw/zinc/55/85/56/555558556.db2.gz SLUQGEPYGNAYEQ-CYBMUJFWSA-N 2 1 352.410 2.479 20 5 FEBDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491994 557198742 /nfs/dbraw/zinc/19/87/42/557198742.db2.gz ZRCAUQKUKJZWMS-KBPBESRZSA-N 2 1 357.414 2.340 20 5 FEBDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000520834760 562164704 /nfs/dbraw/zinc/16/47/04/562164704.db2.gz MLYGWPFBWQZLID-UHFFFAOYSA-N 2 1 374.485 2.407 20 5 FEBDMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000374299586 557861489 /nfs/dbraw/zinc/86/14/89/557861489.db2.gz YKFJVVOTWSTEIV-MRXNPFEDSA-N 2 1 372.469 2.390 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887030 558093984 /nfs/dbraw/zinc/09/39/84/558093984.db2.gz BKKRTMLOSIDMKF-GOSISDBHSA-N 2 1 362.474 2.204 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887030 558093985 /nfs/dbraw/zinc/09/39/85/558093985.db2.gz BKKRTMLOSIDMKF-GOSISDBHSA-N 2 1 362.474 2.204 20 5 FEBDMP C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448712258 560195909 /nfs/dbraw/zinc/19/59/09/560195909.db2.gz XXMCYFAZLYYTRT-AWEZNQCLSA-N 2 1 357.414 2.385 20 5 FEBDMP COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000474365401 561072279 /nfs/dbraw/zinc/07/22/79/561072279.db2.gz AQBLBOOFYSKJPX-HUUCEWRRSA-N 2 1 365.430 2.109 20 5 FEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146633 673694150 /nfs/dbraw/zinc/69/41/50/673694150.db2.gz TZRAOYMDCVNBJM-JYJNAYRXSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146633 673694152 /nfs/dbraw/zinc/69/41/52/673694152.db2.gz TZRAOYMDCVNBJM-JYJNAYRXSA-N 2 1 351.447 2.139 20 5 FEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146633 673694154 /nfs/dbraw/zinc/69/41/54/673694154.db2.gz TZRAOYMDCVNBJM-JYJNAYRXSA-N 2 1 351.447 2.139 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354723 680999554 /nfs/dbraw/zinc/99/95/54/680999554.db2.gz FENXEQOGVRSDLC-UHFFFAOYSA-N 2 1 350.419 2.134 20 5 FEBDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385735 683711998 /nfs/dbraw/zinc/71/19/98/683711998.db2.gz ABVYJRXAVOJQGC-TVFCKZIOSA-N 2 1 351.422 2.303 20 5 FEBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000866353607 684094214 /nfs/dbraw/zinc/09/42/14/684094214.db2.gz UVAIIJKTEQEUGX-AWEZNQCLSA-N 2 1 352.454 2.281 20 5 FEBDMP COc1cc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903091709 690842981 /nfs/dbraw/zinc/84/29/81/690842981.db2.gz ZBIBRHSGSWGVDO-OAHLLOKOSA-N 2 1 350.463 2.282 20 5 FEBDMP CC(C)[N@H+](C)Cc1nn(-c2ncc(Cl)cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164683026 719602441 /nfs/dbraw/zinc/60/24/41/719602441.db2.gz HEDFHDSZAJLFFC-UHFFFAOYSA-N 2 1 364.837 2.315 20 5 FEBDMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(Cl)cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164683026 719602446 /nfs/dbraw/zinc/60/24/46/719602446.db2.gz HEDFHDSZAJLFFC-UHFFFAOYSA-N 2 1 364.837 2.315 20 5 FEBDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000066568243 541337430 /nfs/dbraw/zinc/33/74/30/541337430.db2.gz CAEHYYMYUAUPAA-UHFFFAOYSA-N 2 1 374.485 2.361 20 5 FEBDMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078804645 542481610 /nfs/dbraw/zinc/48/16/10/542481610.db2.gz WFRQSKNFSDKVPN-QGZVFWFLSA-N 2 1 351.447 2.139 20 5 FEBDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078804645 542481615 /nfs/dbraw/zinc/48/16/15/542481615.db2.gz WFRQSKNFSDKVPN-QGZVFWFLSA-N 2 1 351.447 2.139 20 5 FEBDMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464223 549337308 /nfs/dbraw/zinc/33/73/08/549337308.db2.gz IQZKYYRBIFJPME-NVXWUHKLSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464223 549337311 /nfs/dbraw/zinc/33/73/11/549337311.db2.gz IQZKYYRBIFJPME-NVXWUHKLSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464223 549337314 /nfs/dbraw/zinc/33/73/14/549337314.db2.gz IQZKYYRBIFJPME-NVXWUHKLSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464223 549337319 /nfs/dbraw/zinc/33/73/19/549337319.db2.gz IQZKYYRBIFJPME-NVXWUHKLSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464223 549337322 /nfs/dbraw/zinc/33/73/22/549337322.db2.gz IQZKYYRBIFJPME-NVXWUHKLSA-N 2 1 351.447 2.141 20 5 FEBDMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182237847 547459151 /nfs/dbraw/zinc/45/91/51/547459151.db2.gz HMYKNGMHPKHAAA-INIZCTEOSA-N 2 1 374.441 2.023 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)c1 ZINC000262178154 549795405 /nfs/dbraw/zinc/79/54/05/549795405.db2.gz WHXORBLSOQQHBD-QGZVFWFLSA-N 2 1 373.482 2.198 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)c1 ZINC000262178154 549795409 /nfs/dbraw/zinc/79/54/09/549795409.db2.gz WHXORBLSOQQHBD-QGZVFWFLSA-N 2 1 373.482 2.198 20 5 FEBDMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273035944 550481805 /nfs/dbraw/zinc/48/18/05/550481805.db2.gz NWZDTXWNQFSGCC-INIZCTEOSA-N 2 1 351.447 2.139 20 5 FEBDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273035944 550481807 /nfs/dbraw/zinc/48/18/07/550481807.db2.gz NWZDTXWNQFSGCC-INIZCTEOSA-N 2 1 351.447 2.139 20 5 FEBDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000374075276 557819208 /nfs/dbraw/zinc/81/92/08/557819208.db2.gz RQQWFZHLGVWQMX-UHFFFAOYSA-N 2 1 372.469 2.292 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422631940 559598999 /nfs/dbraw/zinc/59/89/99/559598999.db2.gz GBVFUHIANPCIKW-IHRRRGAJSA-N 2 1 364.446 2.237 20 5 FEBDMP C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448710772 560195863 /nfs/dbraw/zinc/19/58/63/560195863.db2.gz VBCNGHVDEOFPNO-AWEZNQCLSA-N 2 1 357.414 2.242 20 5 FEBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000470012599 560972084 /nfs/dbraw/zinc/97/20/84/560972084.db2.gz RDBQHJAXUGOVLE-OAHLLOKOSA-N 2 1 372.425 2.142 20 5 FEBDMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000471864004 561013402 /nfs/dbraw/zinc/01/34/02/561013402.db2.gz HFHPKKZBRHUBFO-MJGOQNOKSA-N 2 1 357.458 2.463 20 5 FEBDMP COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000474365402 561072332 /nfs/dbraw/zinc/07/23/32/561072332.db2.gz AQBLBOOFYSKJPX-LSDHHAIUSA-N 2 1 365.430 2.109 20 5 FEBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271635 671356682 /nfs/dbraw/zinc/35/66/82/671356682.db2.gz FYMOCWPLPXBXLZ-HOTGVXAUSA-N 2 1 351.447 2.045 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843353824 680999320 /nfs/dbraw/zinc/99/93/20/680999320.db2.gz MAMRBGKUWFGLCE-UHFFFAOYSA-N 2 1 350.419 2.134 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125571878 543889381 /nfs/dbraw/zinc/88/93/81/543889381.db2.gz XQAVVJGUGFWEQQ-KRWDZBQOSA-N 2 1 362.474 2.391 20 5 FEBDMP CCCC[N@@H+](C)CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090518242 325361986 /nfs/dbraw/zinc/36/19/86/325361986.db2.gz XIXBKZLOIFUVSM-UHFFFAOYSA-N 2 1 350.463 2.200 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499915331 561561393 /nfs/dbraw/zinc/56/13/93/561561393.db2.gz XQPMEXYXYHKRHF-UHFFFAOYSA-N 2 1 364.446 2.350 20 5 FEBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375887113 558093857 /nfs/dbraw/zinc/09/38/57/558093857.db2.gz BVVGGQLARIFQRV-GOSISDBHSA-N 2 1 362.474 2.074 20 5 FEBDMP COc1ccc(NC(=O)CC[NH2+][C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420355583 559482769 /nfs/dbraw/zinc/48/27/69/559482769.db2.gz CBLSVKJXSMBQTE-MRXNPFEDSA-N 2 1 364.446 2.429 20 5 FEBDMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431026509 559832754 /nfs/dbraw/zinc/83/27/54/559832754.db2.gz FOVVVFBGPKNDHZ-CYBMUJFWSA-N 2 1 362.430 2.006 20 5 FEBDMP CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623332 559926574 /nfs/dbraw/zinc/92/65/74/559926574.db2.gz CEQMNQPKRVTMHN-CQSZACIVSA-N 2 1 364.446 2.396 20 5 FEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000468635757 560934561 /nfs/dbraw/zinc/93/45/61/560934561.db2.gz STFNGBWQBIIXGY-JMPLCFMRSA-N 2 1 360.458 2.175 20 5 FEBDMP Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000596627456 673398654 /nfs/dbraw/zinc/39/86/54/673398654.db2.gz YZWIUTKLCCEOFQ-AWEZNQCLSA-N 2 1 351.451 2.297 20 5 FEBDMP Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000596627456 673398657 /nfs/dbraw/zinc/39/86/57/673398657.db2.gz YZWIUTKLCCEOFQ-AWEZNQCLSA-N 2 1 351.451 2.297 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000125592161 543890818 /nfs/dbraw/zinc/89/08/18/543890818.db2.gz QHEUFYMYAZESBS-KRWDZBQOSA-N 2 1 362.474 2.391 20 5 FEBDMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000262006471 328834668 /nfs/dbraw/zinc/83/46/68/328834668.db2.gz RRSUJRDPKVIPHE-ZDUSSCGKSA-N 2 1 364.446 2.252 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367886533 556165057 /nfs/dbraw/zinc/16/50/57/556165057.db2.gz PXKCXIHJAMVNIT-INIZCTEOSA-N 2 1 363.458 2.123 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000420326170 559480741 /nfs/dbraw/zinc/48/07/41/559480741.db2.gz XFMYKSAFCIEGEY-PBWFPOADSA-N 2 1 362.430 2.147 20 5 FEBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C[NH3+] ZINC000422642542 559599738 /nfs/dbraw/zinc/59/97/38/559599738.db2.gz ZNYUVUZARBPDPG-MCIONIFRSA-N 2 1 362.430 2.198 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430594165 559824043 /nfs/dbraw/zinc/82/40/43/559824043.db2.gz GCEACQDTXGJRKW-CQSZACIVSA-N 2 1 352.435 2.237 20 5 FEBDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451557828 560314682 /nfs/dbraw/zinc/31/46/82/560314682.db2.gz FKEQCGNUHWEOOE-KRWDZBQOSA-N 2 1 374.485 2.375 20 5 FEBDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451557828 560314683 /nfs/dbraw/zinc/31/46/83/560314683.db2.gz FKEQCGNUHWEOOE-KRWDZBQOSA-N 2 1 374.485 2.375 20 5 FEBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271634 671356595 /nfs/dbraw/zinc/35/65/95/671356595.db2.gz FYMOCWPLPXBXLZ-CVEARBPZSA-N 2 1 351.447 2.045 20 5 FEBDMP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000591278442 672664485 /nfs/dbraw/zinc/66/44/85/672664485.db2.gz BUXXSGLYMLEZEG-LBPRGKRZSA-N 2 1 359.373 2.479 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596359690 673379596 /nfs/dbraw/zinc/37/95/96/673379596.db2.gz BZWMCSXGEBRPHE-NSHDSACASA-N 2 1 352.464 2.283 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596359690 673379600 /nfs/dbraw/zinc/37/96/00/673379600.db2.gz BZWMCSXGEBRPHE-NSHDSACASA-N 2 1 352.464 2.283 20 5 FEBDMP CCOc1ccc(NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000843353786 680999253 /nfs/dbraw/zinc/99/92/53/680999253.db2.gz JLNZMWGCFLJFJX-UHFFFAOYSA-N 2 1 350.419 2.134 20 5 FEBDMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388063 681000789 /nfs/dbraw/zinc/00/07/89/681000789.db2.gz XEPOUNXRUYWYKJ-UHFFFAOYSA-N 2 1 352.822 2.262 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000849275717 681675132 /nfs/dbraw/zinc/67/51/32/681675132.db2.gz VVYFEFLSNICOIG-ZDUSSCGKSA-N 2 1 353.492 2.153 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000849275717 681675134 /nfs/dbraw/zinc/67/51/34/681675134.db2.gz VVYFEFLSNICOIG-ZDUSSCGKSA-N 2 1 353.492 2.153 20 5 FEBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000866261902 684087274 /nfs/dbraw/zinc/08/72/74/684087274.db2.gz ATOYQENTNXYNGO-PBHICJAKSA-N 2 1 353.438 2.491 20 5 FEBDMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078804644 542481906 /nfs/dbraw/zinc/48/19/06/542481906.db2.gz WFRQSKNFSDKVPN-KRWDZBQOSA-N 2 1 351.447 2.139 20 5 FEBDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078804644 542481907 /nfs/dbraw/zinc/48/19/07/542481907.db2.gz WFRQSKNFSDKVPN-KRWDZBQOSA-N 2 1 351.447 2.139 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000090537803 542785952 /nfs/dbraw/zinc/78/59/52/542785952.db2.gz OGVBNVKLRJKZRH-UHFFFAOYSA-N 2 1 361.421 2.227 20 5 FEBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248745 561315753 /nfs/dbraw/zinc/31/57/53/561315753.db2.gz HQUGYORKNNLVMW-GDBMZVCRSA-N 2 1 374.441 2.309 20 5 FEBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248745 561315754 /nfs/dbraw/zinc/31/57/54/561315754.db2.gz HQUGYORKNNLVMW-GDBMZVCRSA-N 2 1 374.441 2.309 20 5 FEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248745 561315755 /nfs/dbraw/zinc/31/57/55/561315755.db2.gz HQUGYORKNNLVMW-GDBMZVCRSA-N 2 1 374.441 2.309 20 5 FEBDMP C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCC[NH+]1CCCC1 ZINC000499908965 561561289 /nfs/dbraw/zinc/56/12/89/561561289.db2.gz UGVZLKQOMOPMSN-UHFFFAOYSA-N 2 1 362.430 2.311 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000595015430 673186221 /nfs/dbraw/zinc/18/62/21/673186221.db2.gz DTXBWCCETQDWQB-ZBFHGGJFSA-N 2 1 351.447 2.491 20 5 FEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]21 ZINC000843367265 680999998 /nfs/dbraw/zinc/99/99/98/680999998.db2.gz CBZKBXBDCCNTSC-UXIGCNINSA-N 2 1 350.394 2.122 20 5 FEBDMP Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855345342 682659711 /nfs/dbraw/zinc/65/97/11/682659711.db2.gz QTYBZQJYICGYMB-LBPRGKRZSA-N 2 1 354.426 2.044 20 5 FEBDMP Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855345342 682659712 /nfs/dbraw/zinc/65/97/12/682659712.db2.gz QTYBZQJYICGYMB-LBPRGKRZSA-N 2 1 354.426 2.044 20 5 FEBDMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762121 684583280 /nfs/dbraw/zinc/58/32/80/684583280.db2.gz HPFMFHDDROEHLU-TVYUQYBPSA-N 2 1 358.236 2.199 20 5 FEBDMP COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CC[NH+](C)CC1 ZINC000879123202 686746124 /nfs/dbraw/zinc/74/61/24/686746124.db2.gz SKVHNMVDNZJQDG-UHFFFAOYSA-N 2 1 351.447 2.394 20 5 FEBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858742 541883113 /nfs/dbraw/zinc/88/31/13/541883113.db2.gz NKJMJJCDBPWUSB-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858742 541883118 /nfs/dbraw/zinc/88/31/18/541883118.db2.gz NKJMJJCDBPWUSB-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858742 541883122 /nfs/dbraw/zinc/88/31/22/541883122.db2.gz NKJMJJCDBPWUSB-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000092820911 542888333 /nfs/dbraw/zinc/88/83/33/542888333.db2.gz CGOBYTNITDUXRF-UHFFFAOYSA-N 2 1 358.446 2.425 20 5 FEBDMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273035946 550481737 /nfs/dbraw/zinc/48/17/37/550481737.db2.gz NWZDTXWNQFSGCC-MRXNPFEDSA-N 2 1 351.447 2.139 20 5 FEBDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273035946 550481738 /nfs/dbraw/zinc/48/17/38/550481738.db2.gz NWZDTXWNQFSGCC-MRXNPFEDSA-N 2 1 351.447 2.139 20 5 FEBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000520223440 562151110 /nfs/dbraw/zinc/15/11/10/562151110.db2.gz CUICIDJNVALKCB-UHFFFAOYSA-N 2 1 359.361 2.133 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422637928 559599322 /nfs/dbraw/zinc/59/93/22/559599322.db2.gz PQXQOARPILXRTG-RDBSUJKOSA-N 2 1 364.446 2.237 20 5 FEBDMP Cc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450786018 560273231 /nfs/dbraw/zinc/27/32/31/560273231.db2.gz CGPYWVNKZQOKCS-CALCHBBNSA-N 2 1 369.425 2.057 20 5 FEBDMP Cc1cc(NCCN2C[C@H]3CC[C@@H](C2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450786018 560273232 /nfs/dbraw/zinc/27/32/32/560273232.db2.gz CGPYWVNKZQOKCS-CALCHBBNSA-N 2 1 369.425 2.057 20 5 FEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000843367262 680999979 /nfs/dbraw/zinc/99/99/79/680999979.db2.gz CBZKBXBDCCNTSC-CORIIIEPSA-N 2 1 350.394 2.122 20 5 FEBDMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000843382413 681000570 /nfs/dbraw/zinc/00/05/70/681000570.db2.gz OZYQFZCIETWLOK-KRWDZBQOSA-N 2 1 350.394 2.138 20 5 FEBDMP O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)cn1 ZINC000873203086 685094893 /nfs/dbraw/zinc/09/48/93/685094893.db2.gz OMUCUEICOXYVCV-UHFFFAOYSA-N 2 1 359.455 2.019 20 5 FEBDMP C[NH+](C)/C=C\c1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164769843 721296047 /nfs/dbraw/zinc/29/60/47/721296047.db2.gz OPBKPNGLLJOKRM-ALCCZGGFSA-N 2 1 357.458 2.444 20 5 FEBDMP C[NH+](C)/C=C\c1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164769843 721296052 /nfs/dbraw/zinc/29/60/52/721296052.db2.gz OPBKPNGLLJOKRM-ALCCZGGFSA-N 2 1 357.458 2.444 20 5 FEBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107369281 543267670 /nfs/dbraw/zinc/26/76/70/543267670.db2.gz GSXIQYPUSKMCBF-GOSISDBHSA-N 2 1 362.474 2.076 20 5 FEBDMP CC[N@@H+](C)C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128836869 544075939 /nfs/dbraw/zinc/07/59/39/544075939.db2.gz IBERUXJBBWKDGB-ZDUSSCGKSA-N 2 1 352.410 2.336 20 5 FEBDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128836869 544075943 /nfs/dbraw/zinc/07/59/43/544075943.db2.gz IBERUXJBBWKDGB-ZDUSSCGKSA-N 2 1 352.410 2.336 20 5 FEBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128836869 544075944 /nfs/dbraw/zinc/07/59/44/544075944.db2.gz IBERUXJBBWKDGB-ZDUSSCGKSA-N 2 1 352.410 2.336 20 5 FEBDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128836869 544075947 /nfs/dbraw/zinc/07/59/47/544075947.db2.gz IBERUXJBBWKDGB-ZDUSSCGKSA-N 2 1 352.410 2.336 20 5 FEBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128836869 544075949 /nfs/dbraw/zinc/07/59/49/544075949.db2.gz IBERUXJBBWKDGB-ZDUSSCGKSA-N 2 1 352.410 2.336 20 5 FEBDMP NC(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435963 549131956 /nfs/dbraw/zinc/13/19/56/549131956.db2.gz CUOKRCGSVSUBMZ-YOEHRIQHSA-N 2 1 358.442 2.142 20 5 FEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261948674 549772610 /nfs/dbraw/zinc/77/26/10/549772610.db2.gz YRVANMXIWMXNQP-VKJFTORMSA-N 2 1 360.458 2.236 20 5 FEBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000491137122 561443316 /nfs/dbraw/zinc/44/33/16/561443316.db2.gz PVNGMSXATVDHNH-KRWDZBQOSA-N 2 1 356.426 2.334 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000491143464 561443382 /nfs/dbraw/zinc/44/33/82/561443382.db2.gz YQZDRRLJLITQIC-QGZVFWFLSA-N 2 1 356.426 2.334 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427812 553561717 /nfs/dbraw/zinc/56/17/17/553561717.db2.gz XJPSPZFMWKIITI-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427812 553561720 /nfs/dbraw/zinc/56/17/20/553561720.db2.gz XJPSPZFMWKIITI-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427812 553561721 /nfs/dbraw/zinc/56/17/21/553561721.db2.gz XJPSPZFMWKIITI-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427812 553561723 /nfs/dbraw/zinc/56/17/23/553561723.db2.gz XJPSPZFMWKIITI-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000371092003 557072798 /nfs/dbraw/zinc/07/27/98/557072798.db2.gz YIPWTURMEALIOG-UHFFFAOYSA-N 2 1 364.446 2.114 20 5 FEBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417300706 559356470 /nfs/dbraw/zinc/35/64/70/559356470.db2.gz ASQQGWJKXMJDBS-GOSISDBHSA-N 2 1 360.458 2.116 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323669 559480562 /nfs/dbraw/zinc/48/05/62/559480562.db2.gz GQAFXCFTOSLENP-LSDHHAIUSA-N 2 1 357.414 2.466 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420372441 559483662 /nfs/dbraw/zinc/48/36/62/559483662.db2.gz MHJVDRTXBICMOQ-SFHVURJKSA-N 2 1 362.430 2.008 20 5 FEBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430592188 559823908 /nfs/dbraw/zinc/82/39/08/559823908.db2.gz LXNSQGFVVILMLD-AWEZNQCLSA-N 2 1 364.446 2.060 20 5 FEBDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507229 560232396 /nfs/dbraw/zinc/23/23/96/560232396.db2.gz STKNDOSUKRCZKN-GOSISDBHSA-N 2 1 374.485 2.361 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000532920863 562492618 /nfs/dbraw/zinc/49/26/18/562492618.db2.gz NLQDTEAJAOEHAA-CYBMUJFWSA-N 2 1 364.446 2.204 20 5 FEBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000872031783 684916414 /nfs/dbraw/zinc/91/64/14/684916414.db2.gz MRCKOGUOMBMSTC-CYBMUJFWSA-N 2 1 366.487 2.131 20 5 FEBDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858551 541883479 /nfs/dbraw/zinc/88/34/79/541883479.db2.gz UKZWMTNTPUVWTF-AWEZNQCLSA-N 2 1 362.430 2.166 20 5 FEBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858551 541883483 /nfs/dbraw/zinc/88/34/83/541883483.db2.gz UKZWMTNTPUVWTF-AWEZNQCLSA-N 2 1 362.430 2.166 20 5 FEBDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858551 541883488 /nfs/dbraw/zinc/88/34/88/541883488.db2.gz UKZWMTNTPUVWTF-AWEZNQCLSA-N 2 1 362.430 2.166 20 5 FEBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858551 541883491 /nfs/dbraw/zinc/88/34/91/541883491.db2.gz UKZWMTNTPUVWTF-AWEZNQCLSA-N 2 1 362.430 2.166 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123598412 543771406 /nfs/dbraw/zinc/77/14/06/543771406.db2.gz JJBRKHGSLHGGME-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123598412 543771410 /nfs/dbraw/zinc/77/14/10/543771410.db2.gz JJBRKHGSLHGGME-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123598412 543771413 /nfs/dbraw/zinc/77/14/13/543771413.db2.gz JJBRKHGSLHGGME-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123598412 543771416 /nfs/dbraw/zinc/77/14/16/543771416.db2.gz JJBRKHGSLHGGME-ZIAGYGMSSA-N 2 1 364.446 2.347 20 5 FEBDMP C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000128702892 544068014 /nfs/dbraw/zinc/06/80/14/544068014.db2.gz PLIVPHIDUOEBAB-CYBMUJFWSA-N 2 1 352.410 2.336 20 5 FEBDMP C[NH+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000128702892 544068016 /nfs/dbraw/zinc/06/80/16/544068016.db2.gz PLIVPHIDUOEBAB-CYBMUJFWSA-N 2 1 352.410 2.336 20 5 FEBDMP C[NH+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000128702892 544068018 /nfs/dbraw/zinc/06/80/18/544068018.db2.gz PLIVPHIDUOEBAB-CYBMUJFWSA-N 2 1 352.410 2.336 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841620 326107264 /nfs/dbraw/zinc/10/72/64/326107264.db2.gz AWRXBBDPIGWRSE-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841620 326107268 /nfs/dbraw/zinc/10/72/68/326107268.db2.gz AWRXBBDPIGWRSE-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841620 326107271 /nfs/dbraw/zinc/10/72/71/326107271.db2.gz AWRXBBDPIGWRSE-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181945395 547411230 /nfs/dbraw/zinc/41/12/30/547411230.db2.gz NJIULUTXVRFGTG-MRXNPFEDSA-N 2 1 351.447 2.141 20 5 FEBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000262196376 549797534 /nfs/dbraw/zinc/79/75/34/549797534.db2.gz ZIJKFBSUACHKQQ-HNNXBMFYSA-N 2 1 356.426 2.334 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000299712732 553605789 /nfs/dbraw/zinc/60/57/89/553605789.db2.gz JBDGDSMKGNMBGY-CQSZACIVSA-N 2 1 354.476 2.144 20 5 FEBDMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000363536001 555130658 /nfs/dbraw/zinc/13/06/58/555130658.db2.gz XOFFTWPUKLWLSR-UHFFFAOYSA-N 2 1 372.473 2.068 20 5 FEBDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000363536001 555130660 /nfs/dbraw/zinc/13/06/60/555130660.db2.gz XOFFTWPUKLWLSR-UHFFFAOYSA-N 2 1 372.473 2.068 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343931 555295402 /nfs/dbraw/zinc/29/54/02/555295402.db2.gz PULYLNSJLUHMLQ-AYOQOUSVSA-N 2 1 363.458 2.453 20 5 FEBDMP C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367293284 556010040 /nfs/dbraw/zinc/01/00/40/556010040.db2.gz YPRHQCRBCGMWMS-MRXNPFEDSA-N 2 1 350.438 2.334 20 5 FEBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367293284 556010043 /nfs/dbraw/zinc/01/00/43/556010043.db2.gz YPRHQCRBCGMWMS-MRXNPFEDSA-N 2 1 350.438 2.334 20 5 FEBDMP Cc1c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000517651809 562094786 /nfs/dbraw/zinc/09/47/86/562094786.db2.gz AQYSOIGZWQFDNX-UHFFFAOYSA-N 2 1 355.398 2.302 20 5 FEBDMP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000525686539 562252109 /nfs/dbraw/zinc/25/21/09/562252109.db2.gz RQRPRQINTCDBNI-QGZVFWFLSA-N 2 1 362.474 2.204 20 5 FEBDMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000525686539 562252110 /nfs/dbraw/zinc/25/21/10/562252110.db2.gz RQRPRQINTCDBNI-QGZVFWFLSA-N 2 1 362.474 2.204 20 5 FEBDMP C[C@@H]1C[C@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+] ZINC000422642541 559599725 /nfs/dbraw/zinc/59/97/25/559599725.db2.gz ZNYUVUZARBPDPG-HZSPNIEDSA-N 2 1 362.430 2.198 20 5 FEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000843367264 680999952 /nfs/dbraw/zinc/99/99/52/680999952.db2.gz CBZKBXBDCCNTSC-OSAQELSMSA-N 2 1 350.394 2.122 20 5 FEBDMP Cc1c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000109788990 543339431 /nfs/dbraw/zinc/33/94/31/543339431.db2.gz BEHBKBBCTLYRNP-UHFFFAOYSA-N 2 1 374.485 2.279 20 5 FEBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433173052 330274521 /nfs/dbraw/zinc/27/45/21/330274521.db2.gz IVAHNYGNYBIJBU-KRWDZBQOSA-N 2 1 360.458 2.071 20 5 FEBDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814536 550556927 /nfs/dbraw/zinc/55/69/27/550556927.db2.gz IPFGBPNXOPWOHO-QFBILLFUSA-N 2 1 370.453 2.257 20 5 FEBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814536 550556929 /nfs/dbraw/zinc/55/69/29/550556929.db2.gz IPFGBPNXOPWOHO-QFBILLFUSA-N 2 1 370.453 2.257 20 5 FEBDMP C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512561010 561909068 /nfs/dbraw/zinc/90/90/68/561909068.db2.gz IFINQZSUBXOPFO-MZBDJJRSSA-N 2 1 374.441 2.450 20 5 FEBDMP C[NH+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512561010 561909070 /nfs/dbraw/zinc/90/90/70/561909070.db2.gz IFINQZSUBXOPFO-MZBDJJRSSA-N 2 1 374.441 2.450 20 5 FEBDMP C[NH+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512561010 561909071 /nfs/dbraw/zinc/90/90/71/561909071.db2.gz IFINQZSUBXOPFO-MZBDJJRSSA-N 2 1 374.441 2.450 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370203213 556809659 /nfs/dbraw/zinc/80/96/59/556809659.db2.gz ZYLXMHWAFYGJOL-SFHVURJKSA-N 2 1 362.474 2.204 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370203213 556809664 /nfs/dbraw/zinc/80/96/64/556809664.db2.gz ZYLXMHWAFYGJOL-SFHVURJKSA-N 2 1 362.474 2.204 20 5 FEBDMP CCN1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000518609817 562115127 /nfs/dbraw/zinc/11/51/27/562115127.db2.gz OBBIZSQRYWZGRQ-ZIAGYGMSSA-N 2 1 357.414 2.335 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323667 559480585 /nfs/dbraw/zinc/48/05/85/559480585.db2.gz GQAFXCFTOSLENP-GJZGRUSLSA-N 2 1 357.414 2.466 20 5 FEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000468635756 560934553 /nfs/dbraw/zinc/93/45/53/560934553.db2.gz STFNGBWQBIIXGY-JBXOJTMHSA-N 2 1 360.458 2.175 20 5 FEBDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385731 683712129 /nfs/dbraw/zinc/71/21/29/683712129.db2.gz ABVYJRXAVOJQGC-BDXSIMOUSA-N 2 1 351.422 2.303 20 5 FEBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107369284 543268238 /nfs/dbraw/zinc/26/82/38/543268238.db2.gz GSXIQYPUSKMCBF-SFHVURJKSA-N 2 1 362.474 2.076 20 5 FEBDMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000109787017 543339409 /nfs/dbraw/zinc/33/94/09/543339409.db2.gz LOPWBJQUTLKVKB-QGZVFWFLSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000123851511 543787177 /nfs/dbraw/zinc/78/71/77/543787177.db2.gz IPIJVSGXYFENOM-UHFFFAOYSA-N 2 1 362.455 2.238 20 5 FEBDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917384 327294367 /nfs/dbraw/zinc/29/43/67/327294367.db2.gz OIZHCMDILBGMCO-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917384 327294368 /nfs/dbraw/zinc/29/43/68/327294368.db2.gz OIZHCMDILBGMCO-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917384 327294369 /nfs/dbraw/zinc/29/43/69/327294369.db2.gz OIZHCMDILBGMCO-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174875435 327357106 /nfs/dbraw/zinc/35/71/06/327357106.db2.gz PSADJZOEOWOLQU-QGZVFWFLSA-N 2 1 362.474 2.076 20 5 FEBDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174875435 327357107 /nfs/dbraw/zinc/35/71/07/327357107.db2.gz PSADJZOEOWOLQU-QGZVFWFLSA-N 2 1 362.474 2.076 20 5 FEBDMP Cc1c([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000482853421 561261476 /nfs/dbraw/zinc/26/14/76/561261476.db2.gz CSSCWDKRBFUAJE-HNNXBMFYSA-N 2 1 362.474 2.497 20 5 FEBDMP COc1c[nH+]ccc1N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000483235696 561271442 /nfs/dbraw/zinc/27/14/42/561271442.db2.gz XLDYEDPKWGUNGA-UHFFFAOYSA-N 2 1 358.398 2.199 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(N2CCN(C)CC2=O)CC1 ZINC000374730618 557922417 /nfs/dbraw/zinc/92/24/17/557922417.db2.gz YSSREJVBAWGQLX-HNNXBMFYSA-N 2 1 360.458 2.203 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000411879990 558981663 /nfs/dbraw/zinc/98/16/63/558981663.db2.gz SNCWVFVUBVMTSZ-UHFFFAOYSA-N 2 1 364.446 2.396 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000420320199 559480016 /nfs/dbraw/zinc/48/00/16/559480016.db2.gz YNNPPHZCWYBBIU-CYBMUJFWSA-N 2 1 350.419 2.006 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000420321009 559480376 /nfs/dbraw/zinc/48/03/76/559480376.db2.gz VAXWQVSIUPINQX-CYBMUJFWSA-N 2 1 350.419 2.135 20 5 FEBDMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000420370785 559483410 /nfs/dbraw/zinc/48/34/10/559483410.db2.gz CVTUISVOTKEZPZ-KBXCAEBGSA-N 2 1 360.414 2.454 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420373771 559483681 /nfs/dbraw/zinc/48/36/81/559483681.db2.gz NFQHHVKBUDMFNZ-GOSISDBHSA-N 2 1 362.430 2.008 20 5 FEBDMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431041687 559833108 /nfs/dbraw/zinc/83/31/08/559833108.db2.gz XYOUMWZIQYMKNP-UHFFFAOYSA-N 2 1 352.822 2.262 20 5 FEBDMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562572 560164655 /nfs/dbraw/zinc/16/46/55/560164655.db2.gz MIGMFZANJPNZBV-MAUKXSAKSA-N 2 1 360.458 2.149 20 5 FEBDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562572 560164656 /nfs/dbraw/zinc/16/46/56/560164656.db2.gz MIGMFZANJPNZBV-MAUKXSAKSA-N 2 1 360.458 2.149 20 5 FEBDMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448710216 560195731 /nfs/dbraw/zinc/19/57/31/560195731.db2.gz SSHRDCYLWPMAGX-LSDHHAIUSA-N 2 1 355.398 2.137 20 5 FEBDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496145 560231843 /nfs/dbraw/zinc/23/18/43/560231843.db2.gz ISVMFBBNSHCFMM-IBGZPJMESA-N 2 1 374.485 2.361 20 5 FEBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457791 671370183 /nfs/dbraw/zinc/37/01/83/671370183.db2.gz RNUJHHIMANIWSI-RDJZCZTQSA-N 2 1 351.447 2.045 20 5 FEBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593663 681412677 /nfs/dbraw/zinc/41/26/77/681412677.db2.gz YZTIRSQBGNTPRU-ROUUACIJSA-N 2 1 351.447 2.061 20 5 FEBDMP Cc1cc(F)cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000855346093 682659653 /nfs/dbraw/zinc/65/96/53/682659653.db2.gz ODKLBQODWQZLPP-ZDUSSCGKSA-N 2 1 354.426 2.044 20 5 FEBDMP Cc1cc(F)cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000855346093 682659656 /nfs/dbraw/zinc/65/96/56/682659656.db2.gz ODKLBQODWQZLPP-ZDUSSCGKSA-N 2 1 354.426 2.044 20 5 FEBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000866259419 684086744 /nfs/dbraw/zinc/08/67/44/684086744.db2.gz BCTQCJBDNQTZSA-OAHLLOKOSA-N 2 1 352.454 2.282 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247460350 549336298 /nfs/dbraw/zinc/33/62/98/549336298.db2.gz IIFVPHOLJYRWMN-FUHWJXTLSA-N 2 1 363.458 2.142 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247460350 549336302 /nfs/dbraw/zinc/33/63/02/549336302.db2.gz IIFVPHOLJYRWMN-FUHWJXTLSA-N 2 1 363.458 2.142 20 5 FEBDMP C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000129424581 544111501 /nfs/dbraw/zinc/11/15/01/544111501.db2.gz PTDMCJOSZCHPPT-KDOFPFPSSA-N 2 1 369.425 2.264 20 5 FEBDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000129424581 544111503 /nfs/dbraw/zinc/11/15/03/544111503.db2.gz PTDMCJOSZCHPPT-KDOFPFPSSA-N 2 1 369.425 2.264 20 5 FEBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150813161 544474774 /nfs/dbraw/zinc/47/47/74/544474774.db2.gz YSXLJDNXOJCIHE-HNNXBMFYSA-N 2 1 374.441 2.311 20 5 FEBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150813161 544474776 /nfs/dbraw/zinc/47/47/76/544474776.db2.gz YSXLJDNXOJCIHE-HNNXBMFYSA-N 2 1 374.441 2.311 20 5 FEBDMP COc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000151268308 544522923 /nfs/dbraw/zinc/52/29/23/544522923.db2.gz FPDVRJFWXUXHGA-UHFFFAOYSA-N 2 1 358.398 2.199 20 5 FEBDMP O=[N+]([O-])c1cnn(CCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285605569 551781691 /nfs/dbraw/zinc/78/16/91/551781691.db2.gz PUNVYBFHVBGXAB-IBGZPJMESA-N 2 1 355.442 2.389 20 5 FEBDMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257248 555065715 /nfs/dbraw/zinc/06/57/15/555065715.db2.gz VKYCAOMEBNFTOY-JLSDUUJJSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257248 555065718 /nfs/dbraw/zinc/06/57/18/555065718.db2.gz VKYCAOMEBNFTOY-JLSDUUJJSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257248 555065722 /nfs/dbraw/zinc/06/57/22/555065722.db2.gz VKYCAOMEBNFTOY-JLSDUUJJSA-N 2 1 358.442 2.340 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963292 556743123 /nfs/dbraw/zinc/74/31/23/556743123.db2.gz QGIRYRHXGJEYLU-FDPIWHGQSA-N 2 1 363.458 2.107 20 5 FEBDMP Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000517652625 562094729 /nfs/dbraw/zinc/09/47/29/562094729.db2.gz QYPOCSURXJQCMD-UHFFFAOYSA-N 2 1 355.398 2.302 20 5 FEBDMP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC[C@@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000420364449 559483355 /nfs/dbraw/zinc/48/33/55/559483355.db2.gz CWQLSIJJXIGVKQ-HNNXBMFYSA-N 2 1 372.473 2.373 20 5 FEBDMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000420370792 559483413 /nfs/dbraw/zinc/48/34/13/559483413.db2.gz CVTUISVOTKEZPZ-KSSFIOAISA-N 2 1 360.414 2.454 20 5 FEBDMP CCC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC[NH2+]CC1 ZINC000431070112 559833275 /nfs/dbraw/zinc/83/32/75/559833275.db2.gz XPEQHQACGZVVGD-UHFFFAOYSA-N 2 1 362.430 2.357 20 5 FEBDMP C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448710773 560195898 /nfs/dbraw/zinc/19/58/98/560195898.db2.gz VBCNGHVDEOFPNO-CQSZACIVSA-N 2 1 357.414 2.242 20 5 FEBDMP CCOc1ccc(NC(=O)CN2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000534309285 562531099 /nfs/dbraw/zinc/53/10/99/562531099.db2.gz XSZBQGYRUSZDGS-ZDUSSCGKSA-N 2 1 373.413 2.155 20 5 FEBDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751090 568175278 /nfs/dbraw/zinc/17/52/78/568175278.db2.gz XRVQJSBCBPCPCP-IRXDYDNUSA-N 2 1 365.474 2.292 20 5 FEBDMP C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000597941492 673521753 /nfs/dbraw/zinc/52/17/53/673521753.db2.gz BCYNGVPVRMQGGV-LSDHHAIUSA-N 2 1 350.463 2.087 20 5 FEBDMP C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000597941492 673521755 /nfs/dbraw/zinc/52/17/55/673521755.db2.gz BCYNGVPVRMQGGV-LSDHHAIUSA-N 2 1 350.463 2.087 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866700376 684136645 /nfs/dbraw/zinc/13/66/45/684136645.db2.gz VOBCPFFEMXOZCV-UHFFFAOYSA-N 2 1 350.419 2.006 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[NH2+]CCC1(C)C ZINC000866700376 684136647 /nfs/dbraw/zinc/13/66/47/684136647.db2.gz VOBCPFFEMXOZCV-UHFFFAOYSA-N 2 1 350.419 2.006 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181916460 547403591 /nfs/dbraw/zinc/40/35/91/547403591.db2.gz UVKFIUOIUUWEEY-SJORKVTESA-N 2 1 363.458 2.142 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181916460 547403596 /nfs/dbraw/zinc/40/35/96/547403596.db2.gz UVKFIUOIUUWEEY-SJORKVTESA-N 2 1 363.458 2.142 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000489905519 561422086 /nfs/dbraw/zinc/42/20/86/561422086.db2.gz ICYCRGXQMGHWLV-UHFFFAOYSA-N 2 1 364.446 2.383 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000489905519 561422087 /nfs/dbraw/zinc/42/20/87/561422087.db2.gz ICYCRGXQMGHWLV-UHFFFAOYSA-N 2 1 364.446 2.383 20 5 FEBDMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366864547 555954672 /nfs/dbraw/zinc/95/46/72/555954672.db2.gz KUGZQXAQJXOEFK-INIZCTEOSA-N 2 1 363.458 2.142 20 5 FEBDMP O=[N+]([O-])c1cnn(CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377766511 558415454 /nfs/dbraw/zinc/41/54/54/558415454.db2.gz FVGMIAKTQMRMPM-QZTJIDSGSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377766511 558415457 /nfs/dbraw/zinc/41/54/57/558415457.db2.gz FVGMIAKTQMRMPM-QZTJIDSGSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377766511 558415459 /nfs/dbraw/zinc/41/54/59/558415459.db2.gz FVGMIAKTQMRMPM-QZTJIDSGSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377766511 558415460 /nfs/dbraw/zinc/41/54/60/558415460.db2.gz FVGMIAKTQMRMPM-QZTJIDSGSA-N 2 1 355.442 2.245 20 5 FEBDMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430590565 559823870 /nfs/dbraw/zinc/82/38/70/559823870.db2.gz DFRGCMKDKUSVFW-CYBMUJFWSA-N 2 1 364.446 2.252 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000595006657 673185582 /nfs/dbraw/zinc/18/55/82/673185582.db2.gz HVMOIOYOOJWPNF-HNNXBMFYSA-N 2 1 350.463 2.282 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000595039188 673188577 /nfs/dbraw/zinc/18/85/77/673188577.db2.gz OAVXPVQDYNPRGF-AWEZNQCLSA-N 2 1 350.463 2.280 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596638347 673399912 /nfs/dbraw/zinc/39/99/12/673399912.db2.gz SRCMAKWHXCEYGH-AWEZNQCLSA-N 2 1 351.451 2.297 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596638347 673399917 /nfs/dbraw/zinc/39/99/17/673399917.db2.gz SRCMAKWHXCEYGH-AWEZNQCLSA-N 2 1 351.451 2.297 20 5 FEBDMP C[C@H]1C[C@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000123413249 543760177 /nfs/dbraw/zinc/76/01/77/543760177.db2.gz IWFKMVXIJRMIIP-UONOGXRCSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@H]1C[C@H]([NH+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@@H+]1C ZINC000123413249 543760180 /nfs/dbraw/zinc/76/01/80/543760180.db2.gz IWFKMVXIJRMIIP-UONOGXRCSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@H]1C[C@H]([NH+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@H+]1C ZINC000123413249 543760183 /nfs/dbraw/zinc/76/01/83/543760183.db2.gz IWFKMVXIJRMIIP-UONOGXRCSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@H]1C[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[NH+]1C ZINC000123413249 543760187 /nfs/dbraw/zinc/76/01/87/543760187.db2.gz IWFKMVXIJRMIIP-UONOGXRCSA-N 2 1 362.430 2.307 20 5 FEBDMP C[C@H]1C[C@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[NH+]1C ZINC000123413249 543760190 /nfs/dbraw/zinc/76/01/90/543760190.db2.gz IWFKMVXIJRMIIP-UONOGXRCSA-N 2 1 362.430 2.307 20 5 FEBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119412611 326158929 /nfs/dbraw/zinc/15/89/29/326158929.db2.gz VSNAGQMFOKNBEO-UHFFFAOYSA-N 2 1 368.865 2.138 20 5 FEBDMP NC(=O)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435953 549132508 /nfs/dbraw/zinc/13/25/08/549132508.db2.gz CUOKRCGSVSUBMZ-WMLDXEAASA-N 2 1 358.442 2.142 20 5 FEBDMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659164 555157958 /nfs/dbraw/zinc/15/79/58/555157958.db2.gz GKZHKNRVBBTOIF-HLLBOEOZSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659164 555157962 /nfs/dbraw/zinc/15/79/62/555157962.db2.gz GKZHKNRVBBTOIF-HLLBOEOZSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659164 555157966 /nfs/dbraw/zinc/15/79/66/555157966.db2.gz GKZHKNRVBBTOIF-HLLBOEOZSA-N 2 1 358.442 2.340 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367886534 556164896 /nfs/dbraw/zinc/16/48/96/556164896.db2.gz PXKCXIHJAMVNIT-MRXNPFEDSA-N 2 1 363.458 2.123 20 5 FEBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378435632 558556548 /nfs/dbraw/zinc/55/65/48/558556548.db2.gz UVVUMPQSTXOTAA-GOSISDBHSA-N 2 1 362.474 2.074 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420274012 559478283 /nfs/dbraw/zinc/47/82/83/559478283.db2.gz OJINFSFDIQBKQF-IUODEOHRSA-N 2 1 350.419 2.134 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420274012 559478284 /nfs/dbraw/zinc/47/82/84/559478284.db2.gz OJINFSFDIQBKQF-IUODEOHRSA-N 2 1 350.419 2.134 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435694578 559928410 /nfs/dbraw/zinc/92/84/10/559928410.db2.gz MATSUSYMYMAKJZ-MRXNPFEDSA-N 2 1 361.471 2.497 20 5 FEBDMP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843363432 680999832 /nfs/dbraw/zinc/99/98/32/680999832.db2.gz GGCZQZYBTZAIDU-UHFFFAOYSA-N 2 1 352.822 2.262 20 5 FEBDMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843363432 680999833 /nfs/dbraw/zinc/99/98/33/680999833.db2.gz GGCZQZYBTZAIDU-UHFFFAOYSA-N 2 1 352.822 2.262 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[NH+](C)[C@H]3C)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000895741016 689764147 /nfs/dbraw/zinc/76/41/47/689764147.db2.gz WQAQXOJQHRRWFT-WHOHXGKFSA-N 2 1 354.480 2.060 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[N@H+](C)[C@H]3C)c([N+](=O)[O-])s2)CC[NH+]1C ZINC000895741016 689764149 /nfs/dbraw/zinc/76/41/49/689764149.db2.gz WQAQXOJQHRRWFT-WHOHXGKFSA-N 2 1 354.480 2.060 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[N@@H+](C)[C@H]3C)c([N+](=O)[O-])s2)CC[NH+]1C ZINC000895741016 689764153 /nfs/dbraw/zinc/76/41/53/689764153.db2.gz WQAQXOJQHRRWFT-WHOHXGKFSA-N 2 1 354.480 2.060 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247460356 549336320 /nfs/dbraw/zinc/33/63/20/549336320.db2.gz IIFVPHOLJYRWMN-WMZOPIPTSA-N 2 1 363.458 2.142 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247460356 549336323 /nfs/dbraw/zinc/33/63/23/549336323.db2.gz IIFVPHOLJYRWMN-WMZOPIPTSA-N 2 1 363.458 2.142 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123598877 543771008 /nfs/dbraw/zinc/77/10/08/543771008.db2.gz JJBRKHGSLHGGME-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123598877 543771011 /nfs/dbraw/zinc/77/10/11/543771011.db2.gz JJBRKHGSLHGGME-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123598877 543771014 /nfs/dbraw/zinc/77/10/14/543771014.db2.gz JJBRKHGSLHGGME-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123598877 543771017 /nfs/dbraw/zinc/77/10/17/543771017.db2.gz JJBRKHGSLHGGME-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123598877 543771019 /nfs/dbraw/zinc/77/10/19/543771019.db2.gz JJBRKHGSLHGGME-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842463 326107130 /nfs/dbraw/zinc/10/71/30/326107130.db2.gz WUUZYELBAQXAIV-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842463 326107132 /nfs/dbraw/zinc/10/71/32/326107132.db2.gz WUUZYELBAQXAIV-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842463 326107134 /nfs/dbraw/zinc/10/71/34/326107134.db2.gz WUUZYELBAQXAIV-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187013472 548240710 /nfs/dbraw/zinc/24/07/10/548240710.db2.gz MRHDLUHMLFHKQE-LZQZEXGQSA-N 2 1 365.474 2.355 20 5 FEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261948670 549773039 /nfs/dbraw/zinc/77/30/39/549773039.db2.gz YRVANMXIWMXNQP-RVKKMQEKSA-N 2 1 360.458 2.236 20 5 FEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282417314 551225839 /nfs/dbraw/zinc/22/58/39/551225839.db2.gz QOCRBUYVZMOCBE-UHFFFAOYSA-N 2 1 350.463 2.109 20 5 FEBDMP O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000297345353 553281062 /nfs/dbraw/zinc/28/10/62/553281062.db2.gz DULXKPRMYHFHSC-UHFFFAOYSA-N 2 1 352.398 2.162 20 5 FEBDMP O=C1[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549087 555605998 /nfs/dbraw/zinc/60/59/98/555605998.db2.gz GHCLXTNGTQBECJ-UDTPNQRGSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([N@H+]2C[C@H]3[C@@H](C[NH+]4CCCC[C@@H]34)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549087 555606001 /nfs/dbraw/zinc/60/60/01/555606001.db2.gz GHCLXTNGTQBECJ-UDTPNQRGSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([N@@H+]2C[C@H]3[C@@H](C[NH+]4CCCC[C@@H]34)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549087 555606004 /nfs/dbraw/zinc/60/60/04/555606004.db2.gz GHCLXTNGTQBECJ-UDTPNQRGSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([NH+]2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549087 555606008 /nfs/dbraw/zinc/60/60/08/555606008.db2.gz GHCLXTNGTQBECJ-UDTPNQRGSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([NH+]2C[C@H]3[C@H](C2)C[N@H+]2CCCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549087 555606011 /nfs/dbraw/zinc/60/60/11/555606011.db2.gz GHCLXTNGTQBECJ-UDTPNQRGSA-N 2 1 370.453 2.116 20 5 FEBDMP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415030970 559201328 /nfs/dbraw/zinc/20/13/28/559201328.db2.gz FSNGBXSEDCOCBR-YRWFTTLQSA-N 2 1 369.421 2.490 20 5 FEBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC[NH2+]Cc2cccnc2)n1 ZINC000423179872 559622086 /nfs/dbraw/zinc/62/20/86/559622086.db2.gz ALKYCWNYHRQVSF-SJORKVTESA-N 2 1 358.446 2.440 20 5 FEBDMP C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000458157561 560605897 /nfs/dbraw/zinc/60/58/97/560605897.db2.gz CQCRGCKTXWWZHV-CQSZACIVSA-N 2 1 357.414 2.242 20 5 FEBDMP O=C(NC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000469848367 560966491 /nfs/dbraw/zinc/96/64/91/560966491.db2.gz IZSGVUVLBMAMAK-QMMRJVTOSA-N 2 1 372.469 2.188 20 5 FEBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000470020850 560972376 /nfs/dbraw/zinc/97/23/76/560972376.db2.gz MLLNNGARLYCQIB-CQSZACIVSA-N 2 1 372.425 2.142 20 5 FEBDMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762120 684583343 /nfs/dbraw/zinc/58/33/43/684583343.db2.gz HPFMFHDDROEHLU-BIMULSAOSA-N 2 1 358.236 2.199 20 5 FEBDMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583415 686863646 /nfs/dbraw/zinc/86/36/46/686863646.db2.gz YUUONQVVUHQOKW-LRDDRELGSA-N 2 1 350.394 2.089 20 5 FEBDMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583415 686863654 /nfs/dbraw/zinc/86/36/54/686863654.db2.gz YUUONQVVUHQOKW-LRDDRELGSA-N 2 1 350.394 2.089 20 5 FEBDMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583415 686863661 /nfs/dbraw/zinc/86/36/61/686863661.db2.gz YUUONQVVUHQOKW-LRDDRELGSA-N 2 1 350.394 2.089 20 5 FEBDMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583415 686863669 /nfs/dbraw/zinc/86/36/69/686863669.db2.gz YUUONQVVUHQOKW-LRDDRELGSA-N 2 1 350.394 2.089 20 5 FEBDMP COc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904405350 691025270 /nfs/dbraw/zinc/02/52/70/691025270.db2.gz LCXKYULWTGEEJH-NSHDSACASA-N 2 1 359.373 2.418 20 5 FEBDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000127961183 544024584 /nfs/dbraw/zinc/02/45/84/544024584.db2.gz YTMPGJXPEXHOJL-ZWKOTPCHSA-N 2 1 374.485 2.093 20 5 FEBDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000128830168 544075683 /nfs/dbraw/zinc/07/56/83/544075683.db2.gz MIZILFIHSUADMV-CHWSQXEVSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000128830168 544075686 /nfs/dbraw/zinc/07/56/86/544075686.db2.gz MIZILFIHSUADMV-CHWSQXEVSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[NH+]1C ZINC000128830168 544075688 /nfs/dbraw/zinc/07/56/88/544075688.db2.gz MIZILFIHSUADMV-CHWSQXEVSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[NH+]1C ZINC000128830168 544075691 /nfs/dbraw/zinc/07/56/91/544075691.db2.gz MIZILFIHSUADMV-CHWSQXEVSA-N 2 1 352.410 2.477 20 5 FEBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839572 544404874 /nfs/dbraw/zinc/40/48/74/544404874.db2.gz HQUGYORKNNLVMW-ZBFHGGJFSA-N 2 1 374.441 2.309 20 5 FEBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839572 544404876 /nfs/dbraw/zinc/40/48/76/544404876.db2.gz HQUGYORKNNLVMW-ZBFHGGJFSA-N 2 1 374.441 2.309 20 5 FEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839572 544404877 /nfs/dbraw/zinc/40/48/77/544404877.db2.gz HQUGYORKNNLVMW-ZBFHGGJFSA-N 2 1 374.441 2.309 20 5 FEBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182324444 327770439 /nfs/dbraw/zinc/77/04/39/327770439.db2.gz NICADHBLAIDCAB-UHFFFAOYSA-N 2 1 368.865 2.138 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCn1ccnc1 ZINC000181061236 547241674 /nfs/dbraw/zinc/24/16/74/547241674.db2.gz FTOSFTHOSPWYSY-UHFFFAOYSA-N 2 1 361.402 2.151 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248459093 549444345 /nfs/dbraw/zinc/44/43/45/549444345.db2.gz NJCQOTUBHMOGIY-IAGOWNOFSA-N 2 1 363.458 2.285 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248459093 549444349 /nfs/dbraw/zinc/44/43/49/549444349.db2.gz NJCQOTUBHMOGIY-IAGOWNOFSA-N 2 1 363.458 2.285 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963293 556743082 /nfs/dbraw/zinc/74/30/82/556743082.db2.gz QGIRYRHXGJEYLU-GRGSLBFTSA-N 2 1 363.458 2.107 20 5 FEBDMP CC[NH+]1CCC([N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000371258560 557122114 /nfs/dbraw/zinc/12/21/14/557122114.db2.gz BGPKQYAEAUOCEA-GOSISDBHSA-N 2 1 363.458 2.283 20 5 FEBDMP CC[NH+]1CCC([N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000371258560 557122115 /nfs/dbraw/zinc/12/21/15/557122115.db2.gz BGPKQYAEAUOCEA-GOSISDBHSA-N 2 1 363.458 2.283 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279904 559478651 /nfs/dbraw/zinc/47/86/51/559478651.db2.gz XRJSHEHQOKYRDN-IUODEOHRSA-N 2 1 350.419 2.134 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279904 559478652 /nfs/dbraw/zinc/47/86/52/559478652.db2.gz XRJSHEHQOKYRDN-IUODEOHRSA-N 2 1 350.419 2.134 20 5 FEBDMP O=C1[C@H]([N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340261 559481982 /nfs/dbraw/zinc/48/19/82/559481982.db2.gz ZTVYTDKBQBPYDX-RVKKMQEKSA-N 2 1 358.442 2.022 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422626313 559598523 /nfs/dbraw/zinc/59/85/23/559598523.db2.gz DTFKPBHJMDBYTN-IHRRRGAJSA-N 2 1 364.446 2.237 20 5 FEBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751089 568175268 /nfs/dbraw/zinc/17/52/68/568175268.db2.gz XRVQJSBCBPCPCP-IAGOWNOFSA-N 2 1 365.474 2.292 20 5 FEBDMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000729266245 673230573 /nfs/dbraw/zinc/23/05/73/673230573.db2.gz RHGBLNLBOIVMIV-UHFFFAOYSA-N 2 1 354.838 2.460 20 5 FEBDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782345553 682031059 /nfs/dbraw/zinc/03/10/59/682031059.db2.gz QRQMYLAEUUMHEG-CQSZACIVSA-N 2 1 356.810 2.356 20 5 FEBDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782345553 682031069 /nfs/dbraw/zinc/03/10/69/682031069.db2.gz QRQMYLAEUUMHEG-CQSZACIVSA-N 2 1 356.810 2.356 20 5 FEBDMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762122 684583252 /nfs/dbraw/zinc/58/32/52/684583252.db2.gz HPFMFHDDROEHLU-XDTLVQLUSA-N 2 1 358.236 2.199 20 5 FEBDMP Cc1c(C)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001164684733 719626064 /nfs/dbraw/zinc/62/60/64/719626064.db2.gz XCAPIVDVEVPQJK-UHFFFAOYSA-N 2 1 358.446 2.278 20 5 FEBDMP Cc1c(C)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001164684733 719626069 /nfs/dbraw/zinc/62/60/69/719626069.db2.gz XCAPIVDVEVPQJK-UHFFFAOYSA-N 2 1 358.446 2.278 20 5 FEBDMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000109787013 543338980 /nfs/dbraw/zinc/33/89/80/543338980.db2.gz LOPWBJQUTLKVKB-KRWDZBQOSA-N 2 1 351.447 2.141 20 5 FEBDMP CC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128837117 544076224 /nfs/dbraw/zinc/07/62/24/544076224.db2.gz IBERUXJBBWKDGB-CYBMUJFWSA-N 2 1 352.410 2.336 20 5 FEBDMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128837117 544076227 /nfs/dbraw/zinc/07/62/27/544076227.db2.gz IBERUXJBBWKDGB-CYBMUJFWSA-N 2 1 352.410 2.336 20 5 FEBDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128837117 544076230 /nfs/dbraw/zinc/07/62/30/544076230.db2.gz IBERUXJBBWKDGB-CYBMUJFWSA-N 2 1 352.410 2.336 20 5 FEBDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128837117 544076233 /nfs/dbraw/zinc/07/62/33/544076233.db2.gz IBERUXJBBWKDGB-CYBMUJFWSA-N 2 1 352.410 2.336 20 5 FEBDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128837117 544076236 /nfs/dbraw/zinc/07/62/36/544076236.db2.gz IBERUXJBBWKDGB-CYBMUJFWSA-N 2 1 352.410 2.336 20 5 FEBDMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906306 327293476 /nfs/dbraw/zinc/29/34/76/327293476.db2.gz TYUDWWQUKPPIOF-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906306 327293477 /nfs/dbraw/zinc/29/34/77/327293477.db2.gz TYUDWWQUKPPIOF-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906306 327293478 /nfs/dbraw/zinc/29/34/78/327293478.db2.gz TYUDWWQUKPPIOF-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906306 327293479 /nfs/dbraw/zinc/29/34/79/327293479.db2.gz TYUDWWQUKPPIOF-CQSZACIVSA-N 2 1 364.446 2.206 20 5 FEBDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814530 550556683 /nfs/dbraw/zinc/55/66/83/550556683.db2.gz IPFGBPNXOPWOHO-APWZRJJASA-N 2 1 370.453 2.257 20 5 FEBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814530 550556684 /nfs/dbraw/zinc/55/66/84/550556684.db2.gz IPFGBPNXOPWOHO-APWZRJJASA-N 2 1 370.453 2.257 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281202122 551073575 /nfs/dbraw/zinc/07/35/75/551073575.db2.gz COFVDBMDEGYXHY-UHFFFAOYSA-N 2 1 364.446 2.350 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000299446041 553564124 /nfs/dbraw/zinc/56/41/24/553564124.db2.gz YQRAISKGNCPDOZ-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000299446041 553564126 /nfs/dbraw/zinc/56/41/26/553564126.db2.gz YQRAISKGNCPDOZ-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299446041 553564127 /nfs/dbraw/zinc/56/41/27/553564127.db2.gz YQRAISKGNCPDOZ-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299446041 553564129 /nfs/dbraw/zinc/56/41/29/553564129.db2.gz YQRAISKGNCPDOZ-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[NH2+]C(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000411866635 558978885 /nfs/dbraw/zinc/97/88/85/558978885.db2.gz ICGWHZUFNKAXGK-UHFFFAOYSA-N 2 1 364.446 2.396 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279906 559478666 /nfs/dbraw/zinc/47/86/66/559478666.db2.gz XRJSHEHQOKYRDN-WFASDCNBSA-N 2 1 350.419 2.134 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279906 559478667 /nfs/dbraw/zinc/47/86/67/559478667.db2.gz XRJSHEHQOKYRDN-WFASDCNBSA-N 2 1 350.419 2.134 20 5 FEBDMP C[C@H]1CC2(C[N@H+]1CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)CC[NH2+]CC2 ZINC000424301643 559661066 /nfs/dbraw/zinc/66/10/66/559661066.db2.gz XXOLTGDDVCIMNB-AWEZNQCLSA-N 2 1 374.441 2.357 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000595015429 673186456 /nfs/dbraw/zinc/18/64/56/673186456.db2.gz DTXBWCCETQDWQB-HOCLYGCPSA-N 2 1 351.447 2.491 20 5 FEBDMP C[NH+](C)CCC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595907195 673337200 /nfs/dbraw/zinc/33/72/00/673337200.db2.gz SMVAOLIQASKOSP-GOSISDBHSA-N 2 1 351.447 2.406 20 5 FEBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595907195 673337204 /nfs/dbraw/zinc/33/72/04/673337204.db2.gz SMVAOLIQASKOSP-GOSISDBHSA-N 2 1 351.447 2.406 20 5 FEBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070099 680861860 /nfs/dbraw/zinc/86/18/60/680861860.db2.gz JWZDXJVXUXZACF-ZDUSSCGKSA-N 2 1 366.771 2.174 20 5 FEBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000846224225 681203908 /nfs/dbraw/zinc/20/39/08/681203908.db2.gz HTTWVBXPIVQUDD-SJCJKPOMSA-N 2 1 350.394 2.123 20 5 FEBDMP COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000879123916 686746092 /nfs/dbraw/zinc/74/60/92/686746092.db2.gz LYFCTZUNHASYDS-UHFFFAOYSA-N 2 1 351.447 2.264 20 5 FEBDMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000481042039 561223569 /nfs/dbraw/zinc/22/35/69/561223569.db2.gz VMZYQFIWNDKTEI-ZDUSSCGKSA-N 2 1 364.446 2.204 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181901766 547401710 /nfs/dbraw/zinc/40/17/10/547401710.db2.gz NJCQOTUBHMOGIY-DLBZAZTESA-N 2 1 363.458 2.285 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181901766 547401715 /nfs/dbraw/zinc/40/17/15/547401715.db2.gz NJCQOTUBHMOGIY-DLBZAZTESA-N 2 1 363.458 2.285 20 5 FEBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000262196379 549797859 /nfs/dbraw/zinc/79/78/59/549797859.db2.gz ZIJKFBSUACHKQQ-OAHLLOKOSA-N 2 1 356.426 2.334 20 5 FEBDMP C[N@H+]1CCN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1(C)C ZINC000282475001 551234397 /nfs/dbraw/zinc/23/43/97/551234397.db2.gz UZHJYIDNLHSDNH-UHFFFAOYSA-N 2 1 372.416 2.312 20 5 FEBDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491995 557198905 /nfs/dbraw/zinc/19/89/05/557198905.db2.gz ZRCAUQKUKJZWMS-KGLIPLIRSA-N 2 1 357.414 2.340 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420292292 559479065 /nfs/dbraw/zinc/47/90/65/559479065.db2.gz LQAXRGCEBKRQDZ-JKSUJKDBSA-N 2 1 360.458 2.108 20 5 FEBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402124 559485742 /nfs/dbraw/zinc/48/57/42/559485742.db2.gz QGGKEEZZYOLKRN-HOCLYGCPSA-N 2 1 374.441 2.357 20 5 FEBDMP Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449934323 560245603 /nfs/dbraw/zinc/24/56/03/560245603.db2.gz JDCWQIVBTNPTCA-UHFFFAOYSA-N 2 1 368.397 2.496 20 5 FEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000468635754 560934539 /nfs/dbraw/zinc/93/45/39/560934539.db2.gz STFNGBWQBIIXGY-GSPCDJLXSA-N 2 1 360.458 2.175 20 5 FEBDMP CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000597941915 673521734 /nfs/dbraw/zinc/52/17/34/673521734.db2.gz GUNLKNUBKNKFSN-ZDUSSCGKSA-N 2 1 368.503 2.319 20 5 FEBDMP CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000597941915 673521737 /nfs/dbraw/zinc/52/17/37/673521737.db2.gz GUNLKNUBKNKFSN-ZDUSSCGKSA-N 2 1 368.503 2.319 20 5 FEBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070098 680861891 /nfs/dbraw/zinc/86/18/91/680861891.db2.gz JWZDXJVXUXZACF-CYBMUJFWSA-N 2 1 366.771 2.174 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+]2CC[NH2+]CCC2(C)C)c([N+](=O)[O-])c1 ZINC000866698779 684136385 /nfs/dbraw/zinc/13/63/85/684136385.db2.gz DSPFJSFMBNLDDT-UHFFFAOYSA-N 2 1 350.419 2.006 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2CC[NH2+]CCC2(C)C)c([N+](=O)[O-])c1 ZINC000866698779 684136388 /nfs/dbraw/zinc/13/63/88/684136388.db2.gz DSPFJSFMBNLDDT-UHFFFAOYSA-N 2 1 350.419 2.006 20 5 FEBDMP C[NH+](C)/C=C/c1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164769844 721296236 /nfs/dbraw/zinc/29/62/36/721296236.db2.gz OPBKPNGLLJOKRM-FNORWQNLSA-N 2 1 357.458 2.444 20 5 FEBDMP C[NH+](C)/C=C/c1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164769844 721296244 /nfs/dbraw/zinc/29/62/44/721296244.db2.gz OPBKPNGLLJOKRM-FNORWQNLSA-N 2 1 357.458 2.444 20 5 FEBDMP O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)nc1NCC[NH+]1CC=CCC1 ZINC000530377782 539956587 /nfs/dbraw/zinc/95/65/87/539956587.db2.gz NYYYYMOHKJKQDW-UHFFFAOYSA-N 2 1 372.473 2.337 20 5 FEBDMP O=[N+]([O-])c1ccc(NCC[NH+]2CC=CCC2)nc1NCC[N@H+]1CC=CCC1 ZINC000530377782 539956588 /nfs/dbraw/zinc/95/65/88/539956588.db2.gz NYYYYMOHKJKQDW-UHFFFAOYSA-N 2 1 372.473 2.337 20 5 FEBDMP O=[N+]([O-])c1ccc(NCC[NH+]2CC=CCC2)nc1NCC[N@@H+]1CC=CCC1 ZINC000530377782 539956590 /nfs/dbraw/zinc/95/65/90/539956590.db2.gz NYYYYMOHKJKQDW-UHFFFAOYSA-N 2 1 372.473 2.337 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835688 542205833 /nfs/dbraw/zinc/20/58/33/542205833.db2.gz IIFVPHOLJYRWMN-SJLPKXTDSA-N 2 1 363.458 2.142 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835688 542205838 /nfs/dbraw/zinc/20/58/38/542205838.db2.gz IIFVPHOLJYRWMN-SJLPKXTDSA-N 2 1 363.458 2.142 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123599120 543771268 /nfs/dbraw/zinc/77/12/68/543771268.db2.gz JJBRKHGSLHGGME-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123599120 543771271 /nfs/dbraw/zinc/77/12/71/543771271.db2.gz JJBRKHGSLHGGME-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123599120 543771274 /nfs/dbraw/zinc/77/12/74/543771274.db2.gz JJBRKHGSLHGGME-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123599120 543771277 /nfs/dbraw/zinc/77/12/77/543771277.db2.gz JJBRKHGSLHGGME-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123599120 543771279 /nfs/dbraw/zinc/77/12/79/543771279.db2.gz JJBRKHGSLHGGME-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174881806 327357998 /nfs/dbraw/zinc/35/79/98/327357998.db2.gz NEDQCMOEKVLFFG-SFHVURJKSA-N 2 1 362.474 2.076 20 5 FEBDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174881806 327358000 /nfs/dbraw/zinc/35/80/00/327358000.db2.gz NEDQCMOEKVLFFG-SFHVURJKSA-N 2 1 362.474 2.076 20 5 FEBDMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239968 552707677 /nfs/dbraw/zinc/70/76/77/552707677.db2.gz WQNRBHPHZGQVHR-KRWDZBQOSA-N 2 1 350.394 2.090 20 5 FEBDMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239968 552707678 /nfs/dbraw/zinc/70/76/78/552707678.db2.gz WQNRBHPHZGQVHR-KRWDZBQOSA-N 2 1 350.394 2.090 20 5 FEBDMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239968 552707680 /nfs/dbraw/zinc/70/76/80/552707680.db2.gz WQNRBHPHZGQVHR-KRWDZBQOSA-N 2 1 350.394 2.090 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518802262 562118916 /nfs/dbraw/zinc/11/89/16/562118916.db2.gz VAXOFPODWSECGL-INIZCTEOSA-N 2 1 366.437 2.222 20 5 FEBDMP CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@H](C)C1 ZINC000410853791 558817202 /nfs/dbraw/zinc/81/72/02/558817202.db2.gz KNPPOXSRNSXCCE-ZIAGYGMSSA-N 2 1 357.414 2.335 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597941876 673521649 /nfs/dbraw/zinc/52/16/49/673521649.db2.gz FZGUHZFKTRAXMU-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597941876 673521651 /nfs/dbraw/zinc/52/16/51/673521651.db2.gz FZGUHZFKTRAXMU-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@@H]3C)sc2[N+](=O)[O-])CC[NH+]1C ZINC000895741014 689764330 /nfs/dbraw/zinc/76/43/30/689764330.db2.gz WQAQXOJQHRRWFT-DDHJBXDOSA-N 2 1 354.480 2.060 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@@H]3C)c([N+](=O)[O-])s2)CC[NH+]1C ZINC000895741014 689764336 /nfs/dbraw/zinc/76/43/36/689764336.db2.gz WQAQXOJQHRRWFT-DDHJBXDOSA-N 2 1 354.480 2.060 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@@H]3C)c([N+](=O)[O-])s2)CC[NH+]1C ZINC000895741014 689764341 /nfs/dbraw/zinc/76/43/41/689764341.db2.gz WQAQXOJQHRRWFT-DDHJBXDOSA-N 2 1 354.480 2.060 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000125591558 543890759 /nfs/dbraw/zinc/89/07/59/543890759.db2.gz VATZQNFRJKGQME-KRWDZBQOSA-N 2 1 362.474 2.391 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000128982959 544084274 /nfs/dbraw/zinc/08/42/74/544084274.db2.gz XAIJEUDWOUIKGY-QGZVFWFLSA-N 2 1 362.474 2.391 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+]2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000171692702 327155511 /nfs/dbraw/zinc/15/55/11/327155511.db2.gz UPFJBSXUDVXWST-UHFFFAOYSA-N 2 1 364.446 2.394 20 5 FEBDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954895 327297433 /nfs/dbraw/zinc/29/74/33/327297433.db2.gz IQZKYYRBIFJPME-RDJZCZTQSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954895 327297434 /nfs/dbraw/zinc/29/74/34/327297434.db2.gz IQZKYYRBIFJPME-RDJZCZTQSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954895 327297435 /nfs/dbraw/zinc/29/74/35/327297435.db2.gz IQZKYYRBIFJPME-RDJZCZTQSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954895 327297436 /nfs/dbraw/zinc/29/74/36/327297436.db2.gz IQZKYYRBIFJPME-RDJZCZTQSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159861854 545986708 /nfs/dbraw/zinc/98/67/08/545986708.db2.gz XCBYQZXNUDNCKN-SFHVURJKSA-N 2 1 370.453 2.210 20 5 FEBDMP C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159861854 545986712 /nfs/dbraw/zinc/98/67/12/545986712.db2.gz XCBYQZXNUDNCKN-SFHVURJKSA-N 2 1 370.453 2.210 20 5 FEBDMP C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159861854 545986717 /nfs/dbraw/zinc/98/67/17/545986717.db2.gz XCBYQZXNUDNCKN-SFHVURJKSA-N 2 1 370.453 2.210 20 5 FEBDMP C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159861854 545986723 /nfs/dbraw/zinc/98/67/23/545986723.db2.gz XCBYQZXNUDNCKN-SFHVURJKSA-N 2 1 370.453 2.210 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246904425 549240157 /nfs/dbraw/zinc/24/01/57/549240157.db2.gz CFBNYWZKXQXYAV-AEFFLSMTSA-N 2 1 363.458 2.285 20 5 FEBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246904425 549240159 /nfs/dbraw/zinc/24/01/59/549240159.db2.gz CFBNYWZKXQXYAV-AEFFLSMTSA-N 2 1 363.458 2.285 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000499519200 561552727 /nfs/dbraw/zinc/55/27/27/561552727.db2.gz GIVODQFWDFMNCG-KRWDZBQOSA-N 2 1 362.474 2.012 20 5 FEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(N2CCN(C)CC2=O)CC1 ZINC000374730620 557922312 /nfs/dbraw/zinc/92/23/12/557922312.db2.gz YSSREJVBAWGQLX-OAHLLOKOSA-N 2 1 360.458 2.203 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887031 558093840 /nfs/dbraw/zinc/09/38/40/558093840.db2.gz BKKRTMLOSIDMKF-SFHVURJKSA-N 2 1 362.474 2.204 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887031 558093841 /nfs/dbraw/zinc/09/38/41/558093841.db2.gz BKKRTMLOSIDMKF-SFHVURJKSA-N 2 1 362.474 2.204 20 5 FEBDMP Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000522247070 562194991 /nfs/dbraw/zinc/19/49/91/562194991.db2.gz ROITZWXMTKBQJQ-UHFFFAOYSA-N 2 1 355.398 2.302 20 5 FEBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402122 559485838 /nfs/dbraw/zinc/48/58/38/559485838.db2.gz QGGKEEZZYOLKRN-GDBMZVCRSA-N 2 1 374.441 2.357 20 5 FEBDMP Cn1ccnc1[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423434903 559629093 /nfs/dbraw/zinc/62/90/93/559629093.db2.gz KTYWYPRXHMNARU-KSZLIROESA-N 2 1 355.442 2.395 20 5 FEBDMP Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423434904 559629170 /nfs/dbraw/zinc/62/91/70/559629170.db2.gz KTYWYPRXHMNARU-RCCFBDPRSA-N 2 1 355.442 2.395 20 5 FEBDMP Cc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000440666730 560015847 /nfs/dbraw/zinc/01/58/47/560015847.db2.gz DDMGZHOUWSPNNA-UHFFFAOYSA-N 2 1 357.458 2.311 20 5 FEBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457788 671370097 /nfs/dbraw/zinc/37/00/97/671370097.db2.gz RNUJHHIMANIWSI-NVXWUHKLSA-N 2 1 351.447 2.045 20 5 FEBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071734 680099285 /nfs/dbraw/zinc/09/92/85/680099285.db2.gz LCTOLWDCQKFBIY-QZTJIDSGSA-N 2 1 351.447 2.061 20 5 FEBDMP Cn1cc[nH+]c1C[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000123786123 543782828 /nfs/dbraw/zinc/78/28/28/543782828.db2.gz OUZBMYKBIOBJFM-AWEZNQCLSA-N 2 1 357.414 2.222 20 5 FEBDMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000171388056 327136204 /nfs/dbraw/zinc/13/62/04/327136204.db2.gz OURIZJOTKQHUEQ-UHFFFAOYSA-N 2 1 372.469 2.292 20 5 FEBDMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000481042037 561223661 /nfs/dbraw/zinc/22/36/61/561223661.db2.gz VMZYQFIWNDKTEI-CYBMUJFWSA-N 2 1 364.446 2.204 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000262064154 549785268 /nfs/dbraw/zinc/78/52/68/549785268.db2.gz ATIUSKMEYPQHOG-KRWDZBQOSA-N 2 1 356.426 2.334 20 5 FEBDMP CSc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597943348 673522049 /nfs/dbraw/zinc/52/20/49/673522049.db2.gz YVFOPSZKCZOWJF-ZDUSSCGKSA-N 2 1 368.503 2.319 20 5 FEBDMP CSc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597943348 673522053 /nfs/dbraw/zinc/52/20/53/673522053.db2.gz YVFOPSZKCZOWJF-ZDUSSCGKSA-N 2 1 368.503 2.319 20 5 FEBDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819128591 675263162 /nfs/dbraw/zinc/26/31/62/675263162.db2.gz OHMXAUPQRXQZAS-GOSISDBHSA-N 2 1 351.447 2.107 20 5 FEBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000866261907 684087339 /nfs/dbraw/zinc/08/73/39/684087339.db2.gz ATOYQENTNXYNGO-YOEHRIQHSA-N 2 1 353.438 2.491 20 5 FEBDMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000063523682 541172339 /nfs/dbraw/zinc/17/23/39/541172339.db2.gz OWGQTLLGKOJULL-UHFFFAOYSA-N 2 1 362.474 2.406 20 5 FEBDMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000063523682 541172342 /nfs/dbraw/zinc/17/23/42/541172342.db2.gz OWGQTLLGKOJULL-UHFFFAOYSA-N 2 1 362.474 2.406 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842459 326107596 /nfs/dbraw/zinc/10/75/96/326107596.db2.gz WUUZYELBAQXAIV-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118842459 326107599 /nfs/dbraw/zinc/10/75/99/326107599.db2.gz WUUZYELBAQXAIV-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842459 326107602 /nfs/dbraw/zinc/10/76/02/326107602.db2.gz WUUZYELBAQXAIV-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275539905 330061411 /nfs/dbraw/zinc/06/14/11/330061411.db2.gz MNTWTMXEMINTAR-UONOGXRCSA-N 2 1 357.414 2.361 20 5 FEBDMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000180942066 547216197 /nfs/dbraw/zinc/21/61/97/547216197.db2.gz IMLFVAHUGVGKRO-UHFFFAOYSA-N 2 1 361.446 2.194 20 5 FEBDMP CN(CCN(C)C1CC[NH+](C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000180942066 547216203 /nfs/dbraw/zinc/21/62/03/547216203.db2.gz IMLFVAHUGVGKRO-UHFFFAOYSA-N 2 1 361.446 2.194 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181901783 547401429 /nfs/dbraw/zinc/40/14/29/547401429.db2.gz NJCQOTUBHMOGIY-IRXDYDNUSA-N 2 1 363.458 2.285 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181901783 547401432 /nfs/dbraw/zinc/40/14/32/547401432.db2.gz NJCQOTUBHMOGIY-IRXDYDNUSA-N 2 1 363.458 2.285 20 5 FEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261947248 549773163 /nfs/dbraw/zinc/77/31/63/549773163.db2.gz YLSBWYKFDUQCFU-INMHGKMJSA-N 2 1 360.458 2.236 20 5 FEBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000262163313 549794098 /nfs/dbraw/zinc/79/40/98/549794098.db2.gz SZQJNERYAVXCOA-KRWDZBQOSA-N 2 1 356.426 2.334 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000508460179 561762745 /nfs/dbraw/zinc/76/27/45/561762745.db2.gz XSVLUCGRRFMOTE-SFHVURJKSA-N 2 1 362.474 2.012 20 5 FEBDMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257247 555065680 /nfs/dbraw/zinc/06/56/80/555065680.db2.gz VKYCAOMEBNFTOY-FHLIZLRMSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257247 555065683 /nfs/dbraw/zinc/06/56/83/555065683.db2.gz VKYCAOMEBNFTOY-FHLIZLRMSA-N 2 1 358.442 2.340 20 5 FEBDMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257247 555065685 /nfs/dbraw/zinc/06/56/85/555065685.db2.gz VKYCAOMEBNFTOY-FHLIZLRMSA-N 2 1 358.442 2.340 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345259 555295280 /nfs/dbraw/zinc/29/52/80/555295280.db2.gz UYCJBFPHVHGMHM-BRWVUGGUSA-N 2 1 363.458 2.453 20 5 FEBDMP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000411756171 558956959 /nfs/dbraw/zinc/95/69/59/558956959.db2.gz IHGDNJZGEPVPNB-UHFFFAOYSA-N 2 1 362.474 2.409 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422626314 559598537 /nfs/dbraw/zinc/59/85/37/559598537.db2.gz DTFKPBHJMDBYTN-MCIONIFRSA-N 2 1 364.446 2.237 20 5 FEBDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000452098022 560351068 /nfs/dbraw/zinc/35/10/68/560351068.db2.gz SNPXIBMSHRNTBF-UHFFFAOYSA-N 2 1 362.430 2.357 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597943362 673522265 /nfs/dbraw/zinc/52/22/65/673522265.db2.gz ZHVYGJGMCVJTDY-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597943362 673522269 /nfs/dbraw/zinc/52/22/69/673522269.db2.gz ZHVYGJGMCVJTDY-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000855346286 682659693 /nfs/dbraw/zinc/65/96/93/682659693.db2.gz VIZMQWBAZALYKF-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000855346286 682659696 /nfs/dbraw/zinc/65/96/96/682659696.db2.gz VIZMQWBAZALYKF-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP CCO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[NH+](C)C ZINC000926960223 683189430 /nfs/dbraw/zinc/18/94/30/683189430.db2.gz FQNFLICZWQDXNP-SFHVURJKSA-N 2 1 350.463 2.120 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089581044 542764511 /nfs/dbraw/zinc/76/45/11/542764511.db2.gz BQAIAINRVYLVCO-MNEFBYGVSA-N 2 1 363.458 2.453 20 5 FEBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917369 327294169 /nfs/dbraw/zinc/29/41/69/327294169.db2.gz OIZHCMDILBGMCO-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917369 327294170 /nfs/dbraw/zinc/29/41/70/327294170.db2.gz OIZHCMDILBGMCO-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917369 327294172 /nfs/dbraw/zinc/29/41/72/327294172.db2.gz OIZHCMDILBGMCO-AWEZNQCLSA-N 2 1 364.446 2.206 20 5 FEBDMP COc1cc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000489098631 561403297 /nfs/dbraw/zinc/40/32/97/561403297.db2.gz OIRQDEMFIMQROK-KRWDZBQOSA-N 2 1 362.474 2.205 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248469894 549446630 /nfs/dbraw/zinc/44/66/30/549446630.db2.gz UVKFIUOIUUWEEY-DLBZAZTESA-N 2 1 363.458 2.142 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248469894 549446634 /nfs/dbraw/zinc/44/66/34/549446634.db2.gz UVKFIUOIUUWEEY-DLBZAZTESA-N 2 1 363.458 2.142 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000361099219 554903974 /nfs/dbraw/zinc/90/39/74/554903974.db2.gz BQAIAINRVYLVCO-ATZDWAIDSA-N 2 1 363.458 2.453 20 5 FEBDMP CC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607767 557519521 /nfs/dbraw/zinc/51/95/21/557519521.db2.gz VZINXZOJSFMUNX-KRWDZBQOSA-N 2 1 360.458 2.402 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420317550 559480168 /nfs/dbraw/zinc/48/01/68/559480168.db2.gz VBRMXDPBLNSREI-CYBMUJFWSA-N 2 1 350.419 2.006 20 5 FEBDMP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420327102 559480821 /nfs/dbraw/zinc/48/08/21/559480821.db2.gz CXTJFGLHKCYGJF-TXEJJXNPSA-N 2 1 352.822 2.118 20 5 FEBDMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420327102 559480822 /nfs/dbraw/zinc/48/08/22/559480822.db2.gz CXTJFGLHKCYGJF-TXEJJXNPSA-N 2 1 352.822 2.118 20 5 FEBDMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000420370787 559483479 /nfs/dbraw/zinc/48/34/79/559483479.db2.gz CVTUISVOTKEZPZ-KDOFPFPSSA-N 2 1 360.414 2.454 20 5 FEBDMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000420370795 559483586 /nfs/dbraw/zinc/48/35/86/559483586.db2.gz CVTUISVOTKEZPZ-RDTXWAMCSA-N 2 1 360.414 2.454 20 5 FEBDMP CCc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423211037 559622843 /nfs/dbraw/zinc/62/28/43/559622843.db2.gz XSAZFKYXTWLNMI-LJQANCHMSA-N 2 1 358.442 2.334 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431026234 559832565 /nfs/dbraw/zinc/83/25/65/559832565.db2.gz RIMOXTKIYTYMSC-ZDUSSCGKSA-N 2 1 362.430 2.006 20 5 FEBDMP C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595908927 673337540 /nfs/dbraw/zinc/33/75/40/673337540.db2.gz JRICLDFMYSAXLQ-RHSMWYFYSA-N 2 1 369.487 2.208 20 5 FEBDMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387958 681000857 /nfs/dbraw/zinc/00/08/57/681000857.db2.gz YSHKZMHQYHFJQJ-TXEJJXNPSA-N 2 1 352.822 2.118 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862167248 683542499 /nfs/dbraw/zinc/54/24/99/683542499.db2.gz SINYYZGSGRWULH-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862167248 683542505 /nfs/dbraw/zinc/54/25/05/683542505.db2.gz SINYYZGSGRWULH-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000077249345 542359553 /nfs/dbraw/zinc/35/95/53/542359553.db2.gz UMXVIMRJAPFCRH-UHFFFAOYSA-N 2 1 364.446 2.348 20 5 FEBDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000077249345 542359555 /nfs/dbraw/zinc/35/95/55/542359555.db2.gz UMXVIMRJAPFCRH-UHFFFAOYSA-N 2 1 364.446 2.348 20 5 FEBDMP Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154494488 544912372 /nfs/dbraw/zinc/91/23/72/544912372.db2.gz NXBNMWPLAFVKDN-BYICEURKSA-N 2 1 372.469 2.286 20 5 FEBDMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000261966739 549775715 /nfs/dbraw/zinc/77/57/15/549775715.db2.gz BPCYTEVQCSLYCG-CYBMUJFWSA-N 2 1 364.446 2.252 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000499519201 561552769 /nfs/dbraw/zinc/55/27/69/561552769.db2.gz GIVODQFWDFMNCG-QGZVFWFLSA-N 2 1 362.474 2.012 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427828 553561812 /nfs/dbraw/zinc/56/18/12/553561812.db2.gz XJPSPZFMWKIITI-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427828 553561813 /nfs/dbraw/zinc/56/18/13/553561813.db2.gz XJPSPZFMWKIITI-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427828 553561814 /nfs/dbraw/zinc/56/18/14/553561814.db2.gz XJPSPZFMWKIITI-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427828 553561815 /nfs/dbraw/zinc/56/18/15/553561815.db2.gz XJPSPZFMWKIITI-KGLIPLIRSA-N 2 1 364.446 2.347 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299702591 553603285 /nfs/dbraw/zinc/60/32/85/553603285.db2.gz FKAUYJOKPRNYBP-ZDUSSCGKSA-N 2 1 354.476 2.144 20 5 FEBDMP CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362253542 554958395 /nfs/dbraw/zinc/95/83/95/554958395.db2.gz FGVWAXBDMDTYNG-KRWDZBQOSA-N 2 1 350.438 2.334 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345260 555295159 /nfs/dbraw/zinc/29/51/59/555295159.db2.gz UYCJBFPHVHGMHM-IKGGRYGDSA-N 2 1 363.458 2.453 20 5 FEBDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345261 555295397 /nfs/dbraw/zinc/29/53/97/555295397.db2.gz UYCJBFPHVHGMHM-IXDOHACOSA-N 2 1 363.458 2.453 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518802263 562118943 /nfs/dbraw/zinc/11/89/43/562118943.db2.gz VAXOFPODWSECGL-MRXNPFEDSA-N 2 1 366.437 2.222 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373785311 557758683 /nfs/dbraw/zinc/75/86/83/557758683.db2.gz COKGTHHSNIVUNO-GOSISDBHSA-N 2 1 362.474 2.204 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279902 559478589 /nfs/dbraw/zinc/47/85/89/559478589.db2.gz XRJSHEHQOKYRDN-DOMZBBRYSA-N 2 1 350.419 2.134 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279902 559478590 /nfs/dbraw/zinc/47/85/90/559478590.db2.gz XRJSHEHQOKYRDN-DOMZBBRYSA-N 2 1 350.419 2.134 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420363239 559483231 /nfs/dbraw/zinc/48/32/31/559483231.db2.gz JCCPYRXTTVSLII-INIZCTEOSA-N 2 1 364.446 2.429 20 5 FEBDMP COc1ccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000424289668 559660843 /nfs/dbraw/zinc/66/08/43/559660843.db2.gz MGIOLKWVHHBOEB-CYBMUJFWSA-N 2 1 362.430 2.006 20 5 FEBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430592190 559823998 /nfs/dbraw/zinc/82/39/98/559823998.db2.gz LXNSQGFVVILMLD-CQSZACIVSA-N 2 1 364.446 2.060 20 5 FEBDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751088 568175241 /nfs/dbraw/zinc/17/52/41/568175241.db2.gz XRVQJSBCBPCPCP-DLBZAZTESA-N 2 1 365.474 2.292 20 5 FEBDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782345551 682031293 /nfs/dbraw/zinc/03/12/93/682031293.db2.gz QRQMYLAEUUMHEG-AWEZNQCLSA-N 2 1 356.810 2.356 20 5 FEBDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782345551 682031299 /nfs/dbraw/zinc/03/12/99/682031299.db2.gz QRQMYLAEUUMHEG-AWEZNQCLSA-N 2 1 356.810 2.356 20 5 FEBDMP COc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904405348 691025284 /nfs/dbraw/zinc/02/52/84/691025284.db2.gz LCXKYULWTGEEJH-LLVKDONJSA-N 2 1 359.373 2.418 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125571645 543889289 /nfs/dbraw/zinc/88/92/89/543889289.db2.gz XQAVVJGUGFWEQQ-QGZVFWFLSA-N 2 1 362.474 2.391 20 5 FEBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000125594592 543890764 /nfs/dbraw/zinc/89/07/64/543890764.db2.gz FMKGXOZWMFXFRA-KRWDZBQOSA-N 2 1 362.474 2.391 20 5 FEBDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000128830566 544075437 /nfs/dbraw/zinc/07/54/37/544075437.db2.gz MIZILFIHSUADMV-OLZOCXBDSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000128830566 544075439 /nfs/dbraw/zinc/07/54/39/544075439.db2.gz MIZILFIHSUADMV-OLZOCXBDSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000128830566 544075440 /nfs/dbraw/zinc/07/54/40/544075440.db2.gz MIZILFIHSUADMV-OLZOCXBDSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[NH+]1C ZINC000128830566 544075442 /nfs/dbraw/zinc/07/54/42/544075442.db2.gz MIZILFIHSUADMV-OLZOCXBDSA-N 2 1 352.410 2.477 20 5 FEBDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[NH+]1C ZINC000128830566 544075444 /nfs/dbraw/zinc/07/54/44/544075444.db2.gz MIZILFIHSUADMV-OLZOCXBDSA-N 2 1 352.410 2.477 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000299446037 553563913 /nfs/dbraw/zinc/56/39/13/553563913.db2.gz YQRAISKGNCPDOZ-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000299446037 553563916 /nfs/dbraw/zinc/56/39/16/553563916.db2.gz YQRAISKGNCPDOZ-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000299446037 553563918 /nfs/dbraw/zinc/56/39/18/553563918.db2.gz YQRAISKGNCPDOZ-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000299446037 553563921 /nfs/dbraw/zinc/56/39/21/553563921.db2.gz YQRAISKGNCPDOZ-KBPBESRZSA-N 2 1 364.446 2.347 20 5 FEBDMP C[N@H+]1CCC[C@H](C[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000375479895 558034906 /nfs/dbraw/zinc/03/49/06/558034906.db2.gz FECKGKCEVXYYPN-YLJYHZDGSA-N 2 1 370.453 2.429 20 5 FEBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375887114 558094015 /nfs/dbraw/zinc/09/40/15/558094015.db2.gz BVVGGQLARIFQRV-SFHVURJKSA-N 2 1 362.474 2.074 20 5 FEBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000414994699 559199466 /nfs/dbraw/zinc/19/94/66/559199466.db2.gz VUKDXXUCSMVPPZ-ZDUSSCGKSA-N 2 1 366.771 2.174 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292867 559660908 /nfs/dbraw/zinc/66/09/08/559660908.db2.gz OKTFDTOMYDLKEX-ZDUSSCGKSA-N 2 1 362.430 2.006 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430566463 559823078 /nfs/dbraw/zinc/82/30/78/559823078.db2.gz CMEKARPNPQJIOW-CQSZACIVSA-N 2 1 352.435 2.237 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431026233 559832530 /nfs/dbraw/zinc/83/25/30/559832530.db2.gz RIMOXTKIYTYMSC-CYBMUJFWSA-N 2 1 362.430 2.006 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000595015428 673186323 /nfs/dbraw/zinc/18/63/23/673186323.db2.gz DTXBWCCETQDWQB-GOEBONIOSA-N 2 1 351.447 2.491 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000596361871 673379476 /nfs/dbraw/zinc/37/94/76/673379476.db2.gz KSDAJRCMDMANOB-NSHDSACASA-N 2 1 374.283 2.436 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000596361871 673379479 /nfs/dbraw/zinc/37/94/79/673379479.db2.gz KSDAJRCMDMANOB-NSHDSACASA-N 2 1 374.283 2.436 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601192450 673832167 /nfs/dbraw/zinc/83/21/67/673832167.db2.gz WECSGPNVFWKBIF-JTQLQIEISA-N 2 1 366.388 2.031 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601192450 673832171 /nfs/dbraw/zinc/83/21/71/673832171.db2.gz WECSGPNVFWKBIF-JTQLQIEISA-N 2 1 366.388 2.031 20 5 FEBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593660 681412589 /nfs/dbraw/zinc/41/25/89/681412589.db2.gz YZTIRSQBGNTPRU-QZTJIDSGSA-N 2 1 351.447 2.061 20 5 FEBDMP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903483695 690898451 /nfs/dbraw/zinc/89/84/51/690898451.db2.gz KGNDOYWRFJYBBC-OAHLLOKOSA-N 2 1 350.394 2.327 20 5 FEBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150813130 544474922 /nfs/dbraw/zinc/47/49/22/544474922.db2.gz YSXLJDNXOJCIHE-OAHLLOKOSA-N 2 1 374.441 2.311 20 5 FEBDMP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150813130 544474924 /nfs/dbraw/zinc/47/49/24/544474924.db2.gz YSXLJDNXOJCIHE-OAHLLOKOSA-N 2 1 374.441 2.311 20 5 FEBDMP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000121607148 326351457 /nfs/dbraw/zinc/35/14/57/326351457.db2.gz UCJJXWXMPFWRCM-UHFFFAOYSA-N 2 1 360.458 2.148 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277234361 550645991 /nfs/dbraw/zinc/64/59/91/550645991.db2.gz OZODQCVFINLVKD-AWEZNQCLSA-N 2 1 364.446 2.348 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000508087416 561750996 /nfs/dbraw/zinc/75/09/96/561750996.db2.gz JBSMYJIOYSPHNC-CQSZACIVSA-N 2 1 368.503 2.453 20 5 FEBDMP CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362253543 554958302 /nfs/dbraw/zinc/95/83/02/554958302.db2.gz FGVWAXBDMDTYNG-QGZVFWFLSA-N 2 1 350.438 2.334 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000365082273 555480982 /nfs/dbraw/zinc/48/09/82/555480982.db2.gz JQCICRUBYDFAMT-CHWSQXEVSA-N 2 1 373.413 2.040 20 5 FEBDMP O=[N+]([O-])c1cnn(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377766513 558415538 /nfs/dbraw/zinc/41/55/38/558415538.db2.gz FVGMIAKTQMRMPM-ZWKOTPCHSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377766513 558415541 /nfs/dbraw/zinc/41/55/41/558415541.db2.gz FVGMIAKTQMRMPM-ZWKOTPCHSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377766513 558415543 /nfs/dbraw/zinc/41/55/43/558415543.db2.gz FVGMIAKTQMRMPM-ZWKOTPCHSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377766513 558415546 /nfs/dbraw/zinc/41/55/46/558415546.db2.gz FVGMIAKTQMRMPM-ZWKOTPCHSA-N 2 1 355.442 2.245 20 5 FEBDMP CC(C)([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429271499 559794468 /nfs/dbraw/zinc/79/44/68/559794468.db2.gz LETGPIYKZGYEJJ-UHFFFAOYSA-N 2 1 360.458 2.163 20 5 FEBDMP O=C(NC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000469848369 560966417 /nfs/dbraw/zinc/96/64/17/560966417.db2.gz IZSGVUVLBMAMAK-WIVVLVHASA-N 2 1 372.469 2.188 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000595013886 673186449 /nfs/dbraw/zinc/18/64/49/673186449.db2.gz UULYKDCNRVJJOE-OAHLLOKOSA-N 2 1 350.463 2.282 20 5 FEBDMP Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000824400755 675600132 /nfs/dbraw/zinc/60/01/32/675600132.db2.gz DGSIRHBYWYNFGZ-AWEZNQCLSA-N 2 1 350.463 2.213 20 5 FEBDMP Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000824400755 675600134 /nfs/dbraw/zinc/60/01/34/675600134.db2.gz DGSIRHBYWYNFGZ-AWEZNQCLSA-N 2 1 350.463 2.213 20 5 FEBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593666 681413203 /nfs/dbraw/zinc/41/32/03/681413203.db2.gz YZTIRSQBGNTPRU-ZWKOTPCHSA-N 2 1 351.447 2.061 20 5 FEBDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000779647581 681735049 /nfs/dbraw/zinc/73/50/49/681735049.db2.gz AKKDZWHYWNEZCK-CQSZACIVSA-N 2 1 356.810 2.356 20 5 FEBDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000779647581 681735053 /nfs/dbraw/zinc/73/50/53/681735053.db2.gz AKKDZWHYWNEZCK-CQSZACIVSA-N 2 1 356.810 2.356 20 5 FEBDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000779647579 681735169 /nfs/dbraw/zinc/73/51/69/681735169.db2.gz AKKDZWHYWNEZCK-AWEZNQCLSA-N 2 1 356.810 2.356 20 5 FEBDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000779647579 681735173 /nfs/dbraw/zinc/73/51/73/681735173.db2.gz AKKDZWHYWNEZCK-AWEZNQCLSA-N 2 1 356.810 2.356 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866699216 684136285 /nfs/dbraw/zinc/13/62/85/684136285.db2.gz JKUQLOLIBDKUSM-UHFFFAOYSA-N 2 1 350.419 2.006 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[NH2+]CCC1(C)C ZINC000866699216 684136287 /nfs/dbraw/zinc/13/62/87/684136287.db2.gz JKUQLOLIBDKUSM-UHFFFAOYSA-N 2 1 350.419 2.006 20 5 FEBDMP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714087 547365920 /nfs/dbraw/zinc/36/59/20/547365920.db2.gz QAVYUDKFDYKFDC-CQSZACIVSA-N 2 1 364.421 2.480 20 5 FEBDMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714087 547365927 /nfs/dbraw/zinc/36/59/27/547365927.db2.gz QAVYUDKFDYKFDC-CQSZACIVSA-N 2 1 364.421 2.480 20 5 FEBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000491143461 561443297 /nfs/dbraw/zinc/44/32/97/561443297.db2.gz YQZDRRLJLITQIC-KRWDZBQOSA-N 2 1 356.426 2.334 20 5 FEBDMP CCOc1cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000276965969 550616381 /nfs/dbraw/zinc/61/63/81/550616381.db2.gz WFWBQRQCZMFIQM-UHFFFAOYSA-N 2 1 364.490 2.451 20 5 FEBDMP CCOc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000276965969 550616383 /nfs/dbraw/zinc/61/63/83/550616383.db2.gz WFWBQRQCZMFIQM-UHFFFAOYSA-N 2 1 364.490 2.451 20 5 FEBDMP CCOc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000276965969 550616384 /nfs/dbraw/zinc/61/63/84/550616384.db2.gz WFWBQRQCZMFIQM-UHFFFAOYSA-N 2 1 364.490 2.451 20 5 FEBDMP COc1ccc(NC(=O)CC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422631942 559598975 /nfs/dbraw/zinc/59/89/75/559598975.db2.gz GBVFUHIANPCIKW-MCIONIFRSA-N 2 1 364.446 2.237 20 5 FEBDMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000470019091 560972333 /nfs/dbraw/zinc/97/23/33/560972333.db2.gz RDEQNIPZKQJHBT-QGZVFWFLSA-N 2 1 374.485 2.362 20 5 FEBDMP CCOc1ccc(NC(=O)CN2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000534309284 562530967 /nfs/dbraw/zinc/53/09/67/562530967.db2.gz XSZBQGYRUSZDGS-CYBMUJFWSA-N 2 1 373.413 2.155 20 5 FEBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000178011882 672388171 /nfs/dbraw/zinc/38/81/71/672388171.db2.gz MPTDZMYVXATRGU-UHFFFAOYSA-N 2 1 368.865 2.138 20 5 FEBDMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000843382415 681000638 /nfs/dbraw/zinc/00/06/38/681000638.db2.gz OZYQFZCIETWLOK-QGZVFWFLSA-N 2 1 350.394 2.138 20 5 FEBDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172177678 327185755 /nfs/dbraw/zinc/18/57/55/327185755.db2.gz SDXOXMLZTKRQQC-UHFFFAOYSA-N 2 1 368.865 2.138 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277234368 550646181 /nfs/dbraw/zinc/64/61/81/550646181.db2.gz OZODQCVFINLVKD-CQSZACIVSA-N 2 1 364.446 2.348 20 5 FEBDMP O=C1[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549082 555606062 /nfs/dbraw/zinc/60/60/62/555606062.db2.gz GHCLXTNGTQBECJ-JEDBISTDSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549082 555606063 /nfs/dbraw/zinc/60/60/63/555606063.db2.gz GHCLXTNGTQBECJ-JEDBISTDSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549082 555606064 /nfs/dbraw/zinc/60/60/64/555606064.db2.gz GHCLXTNGTQBECJ-JEDBISTDSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549082 555606065 /nfs/dbraw/zinc/60/60/65/555606065.db2.gz GHCLXTNGTQBECJ-JEDBISTDSA-N 2 1 370.453 2.116 20 5 FEBDMP O=C1[C@H]([NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549082 555606066 /nfs/dbraw/zinc/60/60/66/555606066.db2.gz GHCLXTNGTQBECJ-JEDBISTDSA-N 2 1 370.453 2.116 20 5 FEBDMP O=[N+]([O-])c1cnn(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766512 558415408 /nfs/dbraw/zinc/41/54/08/558415408.db2.gz FVGMIAKTQMRMPM-ROUUACIJSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766512 558415410 /nfs/dbraw/zinc/41/54/10/558415410.db2.gz FVGMIAKTQMRMPM-ROUUACIJSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766512 558415413 /nfs/dbraw/zinc/41/54/13/558415413.db2.gz FVGMIAKTQMRMPM-ROUUACIJSA-N 2 1 355.442 2.245 20 5 FEBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766512 558415415 /nfs/dbraw/zinc/41/54/15/558415415.db2.gz FVGMIAKTQMRMPM-ROUUACIJSA-N 2 1 355.442 2.245 20 5 FEBDMP CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H](C)C1 ZINC000410853790 558817192 /nfs/dbraw/zinc/81/71/92/558817192.db2.gz KNPPOXSRNSXCCE-OKILXGFUSA-N 2 1 357.414 2.335 20 5 FEBDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414768490 559186529 /nfs/dbraw/zinc/18/65/29/559186529.db2.gz LTIHIENEUXLKCX-IYBDPMFKSA-N 2 1 355.442 2.427 20 5 FEBDMP COc1cc(C[NH2+][C@@H](C)CC[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414883419 559193029 /nfs/dbraw/zinc/19/30/29/559193029.db2.gz AIDOOYXMMCWLCK-VIFPVBQESA-N 2 1 351.325 2.371 20 5 FEBDMP COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000420320200 559480002 /nfs/dbraw/zinc/48/00/02/559480002.db2.gz YNNPPHZCWYBBIU-ZDUSSCGKSA-N 2 1 350.419 2.006 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422626315 559598570 /nfs/dbraw/zinc/59/85/70/559598570.db2.gz DTFKPBHJMDBYTN-MJBXVCDLSA-N 2 1 364.446 2.237 20 5 FEBDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507230 560232322 /nfs/dbraw/zinc/23/23/22/560232322.db2.gz STKNDOSUKRCZKN-SFHVURJKSA-N 2 1 374.485 2.361 20 5 FEBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000470002238 560971569 /nfs/dbraw/zinc/97/15/69/560971569.db2.gz FNABGUHCEMPHNX-OAHLLOKOSA-N 2 1 372.425 2.142 20 5 FEBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000470020849 560972350 /nfs/dbraw/zinc/97/23/50/560972350.db2.gz MLLNNGARLYCQIB-AWEZNQCLSA-N 2 1 372.425 2.142 20 5 FEBDMP Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597943274 673521782 /nfs/dbraw/zinc/52/17/82/673521782.db2.gz WSWAGTBAZFPYHD-HNNXBMFYSA-N 2 1 350.463 2.213 20 5 FEBDMP Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597943274 673521785 /nfs/dbraw/zinc/52/17/85/673521785.db2.gz WSWAGTBAZFPYHD-HNNXBMFYSA-N 2 1 350.463 2.213 20 5 FEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000855345560 682659973 /nfs/dbraw/zinc/65/99/73/682659973.db2.gz CZBPQHLBXQSELP-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000855345560 682659977 /nfs/dbraw/zinc/65/99/77/682659977.db2.gz CZBPQHLBXQSELP-LBPRGKRZSA-N 2 1 356.854 2.250 20 5 FEBDMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464215 549338028 /nfs/dbraw/zinc/33/80/28/549338028.db2.gz IQZKYYRBIFJPME-DOTOQJQBSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464215 549338031 /nfs/dbraw/zinc/33/80/31/549338031.db2.gz IQZKYYRBIFJPME-DOTOQJQBSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464215 549338034 /nfs/dbraw/zinc/33/80/34/549338034.db2.gz IQZKYYRBIFJPME-DOTOQJQBSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464215 549338036 /nfs/dbraw/zinc/33/80/36/549338036.db2.gz IQZKYYRBIFJPME-DOTOQJQBSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464215 549338039 /nfs/dbraw/zinc/33/80/39/549338039.db2.gz IQZKYYRBIFJPME-DOTOQJQBSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478221527 561162458 /nfs/dbraw/zinc/16/24/58/561162458.db2.gz BOIUUJUJCBZRQX-UHFFFAOYSA-N 2 1 374.416 2.315 20 5 FEBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187013446 548240107 /nfs/dbraw/zinc/24/01/07/548240107.db2.gz MRHDLUHMLFHKQE-MNEFBYGVSA-N 2 1 365.474 2.355 20 5 FEBDMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455354 549442380 /nfs/dbraw/zinc/44/23/80/549442380.db2.gz KXDUBAKFJJSARM-JKSUJKDBSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455354 549442385 /nfs/dbraw/zinc/44/23/85/549442385.db2.gz KXDUBAKFJJSARM-JKSUJKDBSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455354 549442389 /nfs/dbraw/zinc/44/23/89/549442389.db2.gz KXDUBAKFJJSARM-JKSUJKDBSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455354 549442393 /nfs/dbraw/zinc/44/23/93/549442393.db2.gz KXDUBAKFJJSARM-JKSUJKDBSA-N 2 1 351.447 2.141 20 5 FEBDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455354 549442398 /nfs/dbraw/zinc/44/23/98/549442398.db2.gz KXDUBAKFJJSARM-JKSUJKDBSA-N 2 1 351.447 2.141 20 5 FEBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272327 549574462 /nfs/dbraw/zinc/57/44/62/549574462.db2.gz KVEAIWADEZBDKG-CXAGYDPISA-N 2 1 364.421 2.479 20 5 FEBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272327 549574467 /nfs/dbraw/zinc/57/44/67/549574467.db2.gz KVEAIWADEZBDKG-CXAGYDPISA-N 2 1 364.421 2.479 20 5 FEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272327 549574469 /nfs/dbraw/zinc/57/44/69/549574469.db2.gz KVEAIWADEZBDKG-CXAGYDPISA-N 2 1 364.421 2.479 20 5 FEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261947246 549772802 /nfs/dbraw/zinc/77/28/02/549772802.db2.gz YLSBWYKFDUQCFU-HLLBOEOZSA-N 2 1 360.458 2.236 20 5 FEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261948666 549773056 /nfs/dbraw/zinc/77/30/56/549773056.db2.gz YRVANMXIWMXNQP-RKVPGOIHSA-N 2 1 360.458 2.236 20 5 FEBDMP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278931778 550837179 /nfs/dbraw/zinc/83/71/79/550837179.db2.gz STEGPYVWWAGEFC-UHFFFAOYSA-N 2 1 371.441 2.169 20 5 FEBDMP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000366733733 555920928 /nfs/dbraw/zinc/92/09/28/555920928.db2.gz BSNKKXCKYDEGAJ-LJQANCHMSA-N 2 1 363.458 2.203 20 5 FEBDMP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000366733733 555920929 /nfs/dbraw/zinc/92/09/29/555920929.db2.gz BSNKKXCKYDEGAJ-LJQANCHMSA-N 2 1 363.458 2.203 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420274010 559478274 /nfs/dbraw/zinc/47/82/74/559478274.db2.gz OJINFSFDIQBKQF-DOMZBBRYSA-N 2 1 350.419 2.134 20 5 FEBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420274010 559478275 /nfs/dbraw/zinc/47/82/75/559478275.db2.gz OJINFSFDIQBKQF-DOMZBBRYSA-N 2 1 350.419 2.134 20 5 FEBDMP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329556 559481005 /nfs/dbraw/zinc/48/10/05/559481005.db2.gz OQZLDVIWNRLGBK-LSDHHAIUSA-N 2 1 357.414 2.466 20 5 FEBDMP CC[NH+]1CCC([N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000420624982 559494205 /nfs/dbraw/zinc/49/42/05/559494205.db2.gz JXODJRYGFHJEMF-UHFFFAOYSA-N 2 1 372.473 2.468 20 5 FEBDMP CC[NH+]1CCC([N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000420624982 559494206 /nfs/dbraw/zinc/49/42/06/559494206.db2.gz JXODJRYGFHJEMF-UHFFFAOYSA-N 2 1 372.473 2.468 20 5 FEBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460877312 560754051 /nfs/dbraw/zinc/75/40/51/560754051.db2.gz CAOAVCDNOFPNDB-GOSISDBHSA-N 2 1 362.474 2.012 20 5 FEBDMP CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000824820395 675623370 /nfs/dbraw/zinc/62/33/70/675623370.db2.gz XXODYENAVPYIRQ-ZDUSSCGKSA-N 2 1 368.503 2.319 20 5 FEBDMP CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000824820395 675623372 /nfs/dbraw/zinc/62/33/72/675623372.db2.gz XXODYENAVPYIRQ-ZDUSSCGKSA-N 2 1 368.503 2.319 20 5 FEBDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385737 683712181 /nfs/dbraw/zinc/71/21/81/683712181.db2.gz ABVYJRXAVOJQGC-ZJPYXAASSA-N 2 1 351.422 2.303 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[NH+](C)[C@H]3C)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000895741015 689764000 /nfs/dbraw/zinc/76/40/00/689764000.db2.gz WQAQXOJQHRRWFT-IRCOFANPSA-N 2 1 354.480 2.060 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@H]3C)c([N+](=O)[O-])s2)CC[NH+]1C ZINC000895741015 689764004 /nfs/dbraw/zinc/76/40/04/689764004.db2.gz WQAQXOJQHRRWFT-IRCOFANPSA-N 2 1 354.480 2.060 20 5 FEBDMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@H]3C)c([N+](=O)[O-])s2)CC[NH+]1C ZINC000895741015 689764007 /nfs/dbraw/zinc/76/40/07/689764007.db2.gz WQAQXOJQHRRWFT-IRCOFANPSA-N 2 1 354.480 2.060 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181916440 547404264 /nfs/dbraw/zinc/40/42/64/547404264.db2.gz UVKFIUOIUUWEEY-IAGOWNOFSA-N 2 1 363.458 2.142 20 5 FEBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181916440 547404270 /nfs/dbraw/zinc/40/42/70/547404270.db2.gz UVKFIUOIUUWEEY-IAGOWNOFSA-N 2 1 363.458 2.142 20 5 FEBDMP COc1ccc(NC(=O)[C@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000246904574 549239454 /nfs/dbraw/zinc/23/94/54/549239454.db2.gz MFQKPKORXFXCLV-KBPBESRZSA-N 2 1 364.446 2.204 20 5 FEBDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986290 552777582 /nfs/dbraw/zinc/77/75/82/552777582.db2.gz NNJWTRQRPXPLAL-GOSISDBHSA-N 2 1 364.421 2.480 20 5 FEBDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986290 552777583 /nfs/dbraw/zinc/77/75/83/552777583.db2.gz NNJWTRQRPXPLAL-GOSISDBHSA-N 2 1 364.421 2.480 20 5 FEBDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986290 552777584 /nfs/dbraw/zinc/77/75/84/552777584.db2.gz NNJWTRQRPXPLAL-GOSISDBHSA-N 2 1 364.421 2.480 20 5 FEBDMP [NH3+]C[C@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303966 559660991 /nfs/dbraw/zinc/66/09/91/559660991.db2.gz QCLKQBQGZGVCGG-GDBMZVCRSA-N 2 1 359.405 2.358 20 5 FEBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430574334 559823312 /nfs/dbraw/zinc/82/33/12/559823312.db2.gz NWFKIORSUMZZFL-CQSZACIVSA-N 2 1 350.419 2.198 20 5 FEBDMP CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435613184 559926207 /nfs/dbraw/zinc/92/62/07/559926207.db2.gz JHFSKIRQIXURAZ-CQSZACIVSA-N 2 1 362.430 2.357 20 5 FEBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442764122 560056559 /nfs/dbraw/zinc/05/65/59/560056559.db2.gz FISIYRVSAFEUKR-NNQSOWQGSA-N 2 1 362.430 2.147 20 5 FEBDMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562573 560164568 /nfs/dbraw/zinc/16/45/68/560164568.db2.gz MIGMFZANJPNZBV-QAPCUYQASA-N 2 1 360.458 2.149 20 5 FEBDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562573 560164569 /nfs/dbraw/zinc/16/45/69/560164569.db2.gz MIGMFZANJPNZBV-QAPCUYQASA-N 2 1 360.458 2.149 20 5 FEBDMP