smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801195 509085845 /nfs/dbraw/zinc/08/58/45/509085845.db2.gz BQPQZHQVFITUOO-QRWLVFNGSA-N 2 2 355.438 2.665 10 5 FFBELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801195 509085848 /nfs/dbraw/zinc/08/58/48/509085848.db2.gz BQPQZHQVFITUOO-QRWLVFNGSA-N 2 2 355.438 2.665 10 5 FFBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129747 250240090 /nfs/dbraw/zinc/24/00/90/250240090.db2.gz PPENZAPMTUDPIH-MRXNPFEDSA-N 2 2 357.458 2.949 10 5 FFBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129747 250240096 /nfs/dbraw/zinc/24/00/96/250240096.db2.gz PPENZAPMTUDPIH-MRXNPFEDSA-N 2 2 357.458 2.949 10 5 FFBELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246923798 510747811 /nfs/dbraw/zinc/74/78/11/510747811.db2.gz NAMXVAZLCAUTKH-SWLSCSKDSA-N 2 2 366.849 2.603 10 5 FFBELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246923798 510747816 /nfs/dbraw/zinc/74/78/16/510747816.db2.gz NAMXVAZLCAUTKH-SWLSCSKDSA-N 2 2 366.849 2.603 10 5 FFBELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246923798 510747819 /nfs/dbraw/zinc/74/78/19/510747819.db2.gz NAMXVAZLCAUTKH-SWLSCSKDSA-N 2 2 366.849 2.603 10 5 FFBELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246923798 510747827 /nfs/dbraw/zinc/74/78/27/510747827.db2.gz NAMXVAZLCAUTKH-SWLSCSKDSA-N 2 2 366.849 2.603 10 5 FFBELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801107 509085682 /nfs/dbraw/zinc/08/56/82/509085682.db2.gz BQPQZHQVFITUOO-YWZLYKJASA-N 2 2 355.438 2.665 10 5 FFBELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801107 509085687 /nfs/dbraw/zinc/08/56/87/509085687.db2.gz BQPQZHQVFITUOO-YWZLYKJASA-N 2 2 355.438 2.665 10 5 FFBELP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246184680 510345435 /nfs/dbraw/zinc/34/54/35/510345435.db2.gz VLIJUIHNWOWOFZ-GJZGRUSLSA-N 2 2 369.425 2.751 10 5 FFBELP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246184680 510345441 /nfs/dbraw/zinc/34/54/41/510345441.db2.gz VLIJUIHNWOWOFZ-GJZGRUSLSA-N 2 2 369.425 2.751 10 5 FFBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000106216372 508398140 /nfs/dbraw/zinc/39/81/40/508398140.db2.gz KOSVLYFXSHNYSK-MRXNPFEDSA-N 2 2 371.441 2.938 10 5 FFBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000106216372 508398141 /nfs/dbraw/zinc/39/81/41/508398141.db2.gz KOSVLYFXSHNYSK-MRXNPFEDSA-N 2 2 371.441 2.938 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000178313956 510541263 /nfs/dbraw/zinc/54/12/63/510541263.db2.gz MNZUSAQTTSUYMM-INIZCTEOSA-N 2 2 368.397 2.814 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000178313956 510541285 /nfs/dbraw/zinc/54/12/85/510541285.db2.gz MNZUSAQTTSUYMM-INIZCTEOSA-N 2 2 368.397 2.814 10 5 FFBELP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000193854739 510102270 /nfs/dbraw/zinc/10/22/70/510102270.db2.gz NUNTUWVSCIKOCK-ZDUSSCGKSA-N 2 2 357.370 2.832 10 5 FFBELP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000193854739 510102277 /nfs/dbraw/zinc/10/22/77/510102277.db2.gz NUNTUWVSCIKOCK-ZDUSSCGKSA-N 2 2 357.370 2.832 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245903416 510197186 /nfs/dbraw/zinc/19/71/86/510197186.db2.gz BMBIOUILIJNURK-UKRRQHHQSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245903416 510197191 /nfs/dbraw/zinc/19/71/91/510197191.db2.gz BMBIOUILIJNURK-UKRRQHHQSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178306253 510537772 /nfs/dbraw/zinc/53/77/72/510537772.db2.gz QKPCPTVLPKZTMJ-INIZCTEOSA-N 2 2 358.398 2.631 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178306253 510537777 /nfs/dbraw/zinc/53/77/77/510537777.db2.gz QKPCPTVLPKZTMJ-INIZCTEOSA-N 2 2 358.398 2.631 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154563083 508810787 /nfs/dbraw/zinc/81/07/87/508810787.db2.gz BMBIOUILIJNURK-ZFWWWQNUSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154563083 508810792 /nfs/dbraw/zinc/81/07/92/508810792.db2.gz BMBIOUILIJNURK-ZFWWWQNUSA-N 2 2 357.414 2.591 10 5 FFBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000106216374 508398159 /nfs/dbraw/zinc/39/81/59/508398159.db2.gz KOSVLYFXSHNYSK-INIZCTEOSA-N 2 2 371.441 2.938 10 5 FFBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000106216374 508398160 /nfs/dbraw/zinc/39/81/60/508398160.db2.gz KOSVLYFXSHNYSK-INIZCTEOSA-N 2 2 371.441 2.938 10 5 FFBELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000180126678 509765639 /nfs/dbraw/zinc/76/56/39/509765639.db2.gz BRMFNYRVMJSKHS-OAHLLOKOSA-N 2 2 360.414 2.782 10 5 FFBELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000180126678 509765648 /nfs/dbraw/zinc/76/56/48/509765648.db2.gz BRMFNYRVMJSKHS-OAHLLOKOSA-N 2 2 360.414 2.782 10 5 FFBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000104080281 250167627 /nfs/dbraw/zinc/16/76/27/250167627.db2.gz HDCBDHOFQFBLAO-UHFFFAOYSA-N 2 2 360.458 2.792 10 5 FFBELP COc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000092812644 250002280 /nfs/dbraw/zinc/00/22/80/250002280.db2.gz DWMXLBBPJFBFHL-CQSZACIVSA-N 2 2 372.425 2.941 10 5 FFBELP COc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000092812644 250002285 /nfs/dbraw/zinc/00/22/85/250002285.db2.gz DWMXLBBPJFBFHL-CQSZACIVSA-N 2 2 372.425 2.941 10 5 FFBELP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166491 250246889 /nfs/dbraw/zinc/24/68/89/250246889.db2.gz YODLIDBUKRNNSO-AWEZNQCLSA-N 2 2 371.441 2.610 10 5 FFBELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182352242 509189080 /nfs/dbraw/zinc/18/90/80/509189080.db2.gz LLLHLSYNDLCHKZ-QGZVFWFLSA-N 2 2 366.893 2.850 10 5 FFBELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182352242 509189084 /nfs/dbraw/zinc/18/90/84/509189084.db2.gz LLLHLSYNDLCHKZ-QGZVFWFLSA-N 2 2 366.893 2.850 10 5 FFBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000106216382 250254639 /nfs/dbraw/zinc/25/46/39/250254639.db2.gz BEMOHZPCFWTGLK-INIZCTEOSA-N 2 2 371.441 2.938 10 5 FFBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000106216382 250254643 /nfs/dbraw/zinc/25/46/43/250254643.db2.gz BEMOHZPCFWTGLK-INIZCTEOSA-N 2 2 371.441 2.938 10 5 FFBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246073029 510276439 /nfs/dbraw/zinc/27/64/39/510276439.db2.gz CBRTVIRLMHQZMQ-CABCVRRESA-N 2 2 369.425 2.751 10 5 FFBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246073029 510276443 /nfs/dbraw/zinc/27/64/43/510276443.db2.gz CBRTVIRLMHQZMQ-CABCVRRESA-N 2 2 369.425 2.751 10 5 FFBELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299986 510771941 /nfs/dbraw/zinc/77/19/41/510771941.db2.gz GUZXBCRSROYVRM-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299986 510771944 /nfs/dbraw/zinc/77/19/44/510771944.db2.gz GUZXBCRSROYVRM-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299986 510771945 /nfs/dbraw/zinc/77/19/45/510771945.db2.gz GUZXBCRSROYVRM-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299986 510771948 /nfs/dbraw/zinc/77/19/48/510771948.db2.gz GUZXBCRSROYVRM-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165721 250246411 /nfs/dbraw/zinc/24/64/11/250246411.db2.gz HTBBBOBMTJSVHO-UHFFFAOYSA-N 2 2 371.441 2.530 10 5 FFBELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000107303852 507842762 /nfs/dbraw/zinc/84/27/62/507842762.db2.gz MHPFEGSOQKNADE-CJNGLKHVSA-N 2 2 356.430 2.746 10 5 FFBELP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782432 509081976 /nfs/dbraw/zinc/08/19/76/509081976.db2.gz OAUBAUOTASBPRK-UZLBHIALSA-N 2 2 369.465 2.973 10 5 FFBELP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782432 509081979 /nfs/dbraw/zinc/08/19/79/509081979.db2.gz OAUBAUOTASBPRK-UZLBHIALSA-N 2 2 369.465 2.973 10 5 FFBELP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782512 509081816 /nfs/dbraw/zinc/08/18/16/509081816.db2.gz OAUBAUOTASBPRK-JXFKEZNVSA-N 2 2 369.465 2.973 10 5 FFBELP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782512 509081819 /nfs/dbraw/zinc/08/18/19/509081819.db2.gz OAUBAUOTASBPRK-JXFKEZNVSA-N 2 2 369.465 2.973 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245952523 510225938 /nfs/dbraw/zinc/22/59/38/510225938.db2.gz PREGGWWJPPEVLB-DYVFJYSZSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245952523 510225940 /nfs/dbraw/zinc/22/59/40/510225940.db2.gz PREGGWWJPPEVLB-DYVFJYSZSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178306270 510537876 /nfs/dbraw/zinc/53/78/76/510537876.db2.gz QKPCPTVLPKZTMJ-MRXNPFEDSA-N 2 2 358.398 2.631 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178306270 510537881 /nfs/dbraw/zinc/53/78/81/510537881.db2.gz QKPCPTVLPKZTMJ-MRXNPFEDSA-N 2 2 358.398 2.631 10 5 FFBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273822 510751689 /nfs/dbraw/zinc/75/16/89/510751689.db2.gz ZBNVNOGFHONGEM-QGZVFWFLSA-N 2 2 370.453 2.952 10 5 FFBELP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273822 510751695 /nfs/dbraw/zinc/75/16/95/510751695.db2.gz ZBNVNOGFHONGEM-QGZVFWFLSA-N 2 2 370.453 2.952 10 5 FFBELP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195273822 510751704 /nfs/dbraw/zinc/75/17/04/510751704.db2.gz ZBNVNOGFHONGEM-QGZVFWFLSA-N 2 2 370.453 2.952 10 5 FFBELP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195273822 510751710 /nfs/dbraw/zinc/75/17/10/510751710.db2.gz ZBNVNOGFHONGEM-QGZVFWFLSA-N 2 2 370.453 2.952 10 5 FFBELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000107303850 507842729 /nfs/dbraw/zinc/84/27/29/507842729.db2.gz MHPFEGSOQKNADE-BBRMVZONSA-N 2 2 356.430 2.746 10 5 FFBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647320 510277115 /nfs/dbraw/zinc/27/71/15/510277115.db2.gz JKAVHAHILLWIAQ-HNNXBMFYSA-N 2 2 369.425 2.671 10 5 FFBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647320 510277126 /nfs/dbraw/zinc/27/71/26/510277126.db2.gz JKAVHAHILLWIAQ-HNNXBMFYSA-N 2 2 369.425 2.671 10 5 FFBELP Cc1c([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788095 509083489 /nfs/dbraw/zinc/08/34/89/509083489.db2.gz COTLWQBJUWKGRR-LPHOPBHVSA-N 2 2 369.465 2.973 10 5 FFBELP Cc1c([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788095 509083494 /nfs/dbraw/zinc/08/34/94/509083494.db2.gz COTLWQBJUWKGRR-LPHOPBHVSA-N 2 2 369.465 2.973 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245899646 510195904 /nfs/dbraw/zinc/19/59/04/510195904.db2.gz AQEZSAOLUPZNHS-CXAGYDPISA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245899646 510195907 /nfs/dbraw/zinc/19/59/07/510195907.db2.gz AQEZSAOLUPZNHS-CXAGYDPISA-N 2 2 357.414 2.591 10 5 FFBELP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c2c(c1)COCO2 ZINC000171646850 510274411 /nfs/dbraw/zinc/27/44/11/510274411.db2.gz HXTUGTYPLQLXPD-CQSZACIVSA-N 2 2 370.409 2.790 10 5 FFBELP O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c2c(c1)COCO2 ZINC000171646850 510274416 /nfs/dbraw/zinc/27/44/16/510274416.db2.gz HXTUGTYPLQLXPD-CQSZACIVSA-N 2 2 370.409 2.790 10 5 FFBELP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246182166 510344582 /nfs/dbraw/zinc/34/45/82/510344582.db2.gz UXOJTYYPCCQLCE-GJZGRUSLSA-N 2 2 369.425 2.751 10 5 FFBELP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246182166 510344587 /nfs/dbraw/zinc/34/45/87/510344587.db2.gz UXOJTYYPCCQLCE-GJZGRUSLSA-N 2 2 369.425 2.751 10 5 FFBELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000178222394 510495072 /nfs/dbraw/zinc/49/50/72/510495072.db2.gz TYEQHUFZHDWWNZ-CJNGLKHVSA-N 2 2 356.430 2.746 10 5 FFBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000106214692 250254390 /nfs/dbraw/zinc/25/43/90/250254390.db2.gz LNHOVZCNPYBHEE-KRWDZBQOSA-N 2 2 371.441 2.654 10 5 FFBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000106214692 250254394 /nfs/dbraw/zinc/25/43/94/250254394.db2.gz LNHOVZCNPYBHEE-KRWDZBQOSA-N 2 2 371.441 2.654 10 5 FFBELP COc1ccc(OCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000173779587 509772472 /nfs/dbraw/zinc/77/24/72/509772472.db2.gz XHVPUSRASYIQBG-HNNXBMFYSA-N 2 2 372.425 2.811 10 5 FFBELP COc1ccc(OCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000173779587 509772478 /nfs/dbraw/zinc/77/24/78/509772478.db2.gz XHVPUSRASYIQBG-HNNXBMFYSA-N 2 2 372.425 2.811 10 5 FFBELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000178222416 510495490 /nfs/dbraw/zinc/49/54/90/510495490.db2.gz TYEQHUFZHDWWNZ-CZUORRHYSA-N 2 2 356.430 2.746 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154575098 508812631 /nfs/dbraw/zinc/81/26/31/508812631.db2.gz AQEZSAOLUPZNHS-GUYCJALGSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154575098 508812636 /nfs/dbraw/zinc/81/26/36/508812636.db2.gz AQEZSAOLUPZNHS-GUYCJALGSA-N 2 2 357.414 2.591 10 5 FFBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129746 250240214 /nfs/dbraw/zinc/24/02/14/250240214.db2.gz PPENZAPMTUDPIH-INIZCTEOSA-N 2 2 357.458 2.949 10 5 FFBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129746 250240220 /nfs/dbraw/zinc/24/02/20/250240220.db2.gz PPENZAPMTUDPIH-INIZCTEOSA-N 2 2 357.458 2.949 10 5 FFBELP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788029 509083865 /nfs/dbraw/zinc/08/38/65/509083865.db2.gz COTLWQBJUWKGRR-APWZRJJASA-N 2 2 369.465 2.973 10 5 FFBELP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788029 509083867 /nfs/dbraw/zinc/08/38/67/509083867.db2.gz COTLWQBJUWKGRR-APWZRJJASA-N 2 2 369.465 2.973 10 5 FFBELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299967 510771993 /nfs/dbraw/zinc/77/19/93/510771993.db2.gz GUZXBCRSROYVRM-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299967 510771997 /nfs/dbraw/zinc/77/19/97/510771997.db2.gz GUZXBCRSROYVRM-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299967 510772000 /nfs/dbraw/zinc/77/20/00/510772000.db2.gz GUZXBCRSROYVRM-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299967 510772004 /nfs/dbraw/zinc/77/20/04/510772004.db2.gz GUZXBCRSROYVRM-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245957167 510227739 /nfs/dbraw/zinc/22/77/39/510227739.db2.gz QYNATXINNUKYHK-ZBFHGGJFSA-N 2 2 371.441 2.900 10 5 FFBELP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646134 510274660 /nfs/dbraw/zinc/27/46/60/510274660.db2.gz VLIJUIHNWOWOFZ-LSDHHAIUSA-N 2 2 369.425 2.751 10 5 FFBELP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646134 510274666 /nfs/dbraw/zinc/27/46/66/510274666.db2.gz VLIJUIHNWOWOFZ-LSDHHAIUSA-N 2 2 369.425 2.751 10 5 FFBELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171653036 510283943 /nfs/dbraw/zinc/28/39/43/510283943.db2.gz IPNAAFMTPAPPKD-OAHLLOKOSA-N 2 2 369.425 2.671 10 5 FFBELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171653036 510283950 /nfs/dbraw/zinc/28/39/50/510283950.db2.gz IPNAAFMTPAPPKD-OAHLLOKOSA-N 2 2 369.425 2.671 10 5 FFBELP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166582 250246186 /nfs/dbraw/zinc/24/61/86/250246186.db2.gz GQBBTEJMPBCHFK-AWEZNQCLSA-N 2 2 371.441 2.610 10 5 FFBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183333020 509722730 /nfs/dbraw/zinc/72/27/30/509722730.db2.gz MTCSAEWZTICLJT-UHFFFAOYSA-N 2 2 357.458 2.696 10 5 FFBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183333020 509722737 /nfs/dbraw/zinc/72/27/37/509722737.db2.gz MTCSAEWZTICLJT-UHFFFAOYSA-N 2 2 357.458 2.696 10 5 FFBELP C[C@H]1C[N@@H+](C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000193429095 509912193 /nfs/dbraw/zinc/91/21/93/509912193.db2.gz LQTMPWOYGSJBGD-INIZCTEOSA-N 2 2 363.458 2.549 10 5 FFBELP C[C@H]1C[N@H+](C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000193429095 509912198 /nfs/dbraw/zinc/91/21/98/509912198.db2.gz LQTMPWOYGSJBGD-INIZCTEOSA-N 2 2 363.458 2.549 10 5 FFBELP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190490186 510160648 /nfs/dbraw/zinc/16/06/48/510160648.db2.gz ZJEIFHQOXXOZOX-GOSISDBHSA-N 2 2 370.453 2.952 10 5 FFBELP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190490186 510160656 /nfs/dbraw/zinc/16/06/56/510160656.db2.gz ZJEIFHQOXXOZOX-GOSISDBHSA-N 2 2 370.453 2.952 10 5 FFBELP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190490186 510160670 /nfs/dbraw/zinc/16/06/70/510160670.db2.gz ZJEIFHQOXXOZOX-GOSISDBHSA-N 2 2 370.453 2.952 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178746804 510751542 /nfs/dbraw/zinc/75/15/42/510751542.db2.gz NITLKRLLNXRCGR-INIZCTEOSA-N 2 2 357.414 2.511 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178746804 510751545 /nfs/dbraw/zinc/75/15/45/510751545.db2.gz NITLKRLLNXRCGR-INIZCTEOSA-N 2 2 357.414 2.511 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000178747187 510751657 /nfs/dbraw/zinc/75/16/57/510751657.db2.gz WZPITTKHWVCVSH-MRXNPFEDSA-N 2 2 368.397 2.814 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000178747187 510751671 /nfs/dbraw/zinc/75/16/71/510751671.db2.gz WZPITTKHWVCVSH-MRXNPFEDSA-N 2 2 368.397 2.814 10 5 FFBELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000107303857 507842826 /nfs/dbraw/zinc/84/28/26/507842826.db2.gz MHPFEGSOQKNADE-CZUORRHYSA-N 2 2 356.430 2.746 10 5 FFBELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179160797 509296920 /nfs/dbraw/zinc/29/69/20/509296920.db2.gz CVKGORLXUDKPFK-MRXNPFEDSA-N 2 2 371.441 2.631 10 5 FFBELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179160797 509296928 /nfs/dbraw/zinc/29/69/28/509296928.db2.gz CVKGORLXUDKPFK-MRXNPFEDSA-N 2 2 371.441 2.631 10 5 FFBELP COc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c([N+](=O)[O-])cc1F ZINC000184205229 510191560 /nfs/dbraw/zinc/19/15/60/510191560.db2.gz MXYGTKBTYGNHJH-UHFFFAOYSA-N 2 2 362.405 2.931 10 5 FFBELP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185187622 510736282 /nfs/dbraw/zinc/73/62/82/510736282.db2.gz ZUUHGGZWODSITB-UHFFFAOYSA-N 2 2 364.421 2.623 10 5 FFBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273813 510751783 /nfs/dbraw/zinc/75/17/83/510751783.db2.gz ZBNVNOGFHONGEM-KRWDZBQOSA-N 2 2 370.453 2.952 10 5 FFBELP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273813 510751789 /nfs/dbraw/zinc/75/17/89/510751789.db2.gz ZBNVNOGFHONGEM-KRWDZBQOSA-N 2 2 370.453 2.952 10 5 FFBELP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195273813 510751797 /nfs/dbraw/zinc/75/17/97/510751797.db2.gz ZBNVNOGFHONGEM-KRWDZBQOSA-N 2 2 370.453 2.952 10 5 FFBELP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195273813 510751806 /nfs/dbraw/zinc/75/18/06/510751806.db2.gz ZBNVNOGFHONGEM-KRWDZBQOSA-N 2 2 370.453 2.952 10 5 FFBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166495 250245271 /nfs/dbraw/zinc/24/52/71/250245271.db2.gz YODLIDBUKRNNSO-CQSZACIVSA-N 2 2 371.441 2.610 10 5 FFBELP Cc1cc(NCC2([NH+](C)C)CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301296963 258040671 /nfs/dbraw/zinc/04/06/71/258040671.db2.gz SLZSBBMQSHQDEZ-UHFFFAOYSA-N 2 2 371.441 2.883 10 5 FFBELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000194240731 510276054 /nfs/dbraw/zinc/27/60/54/510276054.db2.gz YYKRZDOCJFCBAN-UHFFFAOYSA-N 2 2 368.353 2.682 10 5 FFBELP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647591 510277696 /nfs/dbraw/zinc/27/76/96/510277696.db2.gz UXOJTYYPCCQLCE-LSDHHAIUSA-N 2 2 369.425 2.751 10 5 FFBELP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647591 510277703 /nfs/dbraw/zinc/27/77/03/510277703.db2.gz UXOJTYYPCCQLCE-LSDHHAIUSA-N 2 2 369.425 2.751 10 5 FFBELP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000194225513 510269916 /nfs/dbraw/zinc/26/99/16/510269916.db2.gz NXFKRSHZTBHANT-UHFFFAOYSA-N 2 2 371.397 2.652 10 5 FFBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647309 510279077 /nfs/dbraw/zinc/27/90/77/510279077.db2.gz RITBYDRGIKJJKM-HNNXBMFYSA-N 2 2 369.425 2.671 10 5 FFBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647309 510279084 /nfs/dbraw/zinc/27/90/84/510279084.db2.gz RITBYDRGIKJJKM-HNNXBMFYSA-N 2 2 369.425 2.671 10 5 FFBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000106216379 250256421 /nfs/dbraw/zinc/25/64/21/250256421.db2.gz BEMOHZPCFWTGLK-MRXNPFEDSA-N 2 2 371.441 2.938 10 5 FFBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000106216379 250256427 /nfs/dbraw/zinc/25/64/27/250256427.db2.gz BEMOHZPCFWTGLK-MRXNPFEDSA-N 2 2 371.441 2.938 10 5 FFBELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000182905891 509487349 /nfs/dbraw/zinc/48/73/49/509487349.db2.gz HXIIWZRBMGAZSZ-QGZVFWFLSA-N 2 2 366.893 2.850 10 5 FFBELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000182905891 509487355 /nfs/dbraw/zinc/48/73/55/509487355.db2.gz HXIIWZRBMGAZSZ-QGZVFWFLSA-N 2 2 366.893 2.850 10 5 FFBELP C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000180667260 510044630 /nfs/dbraw/zinc/04/46/30/510044630.db2.gz BFSSWHYOJXYEMO-ZDUSSCGKSA-N 2 2 365.393 2.730 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245957164 510227127 /nfs/dbraw/zinc/22/71/27/510227127.db2.gz QYNATXINNUKYHK-HOCLYGCPSA-N 2 2 371.441 2.900 10 5 FFBELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195285068 510760314 /nfs/dbraw/zinc/76/03/14/510760314.db2.gz KRGBLFBFOAPYMM-IBGZPJMESA-N 2 2 354.454 2.986 10 5 FFBELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195285068 510760317 /nfs/dbraw/zinc/76/03/17/510760317.db2.gz KRGBLFBFOAPYMM-IBGZPJMESA-N 2 2 354.454 2.986 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195285068 510760320 /nfs/dbraw/zinc/76/03/20/510760320.db2.gz KRGBLFBFOAPYMM-IBGZPJMESA-N 2 2 354.454 2.986 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195285068 510760327 /nfs/dbraw/zinc/76/03/27/510760327.db2.gz KRGBLFBFOAPYMM-IBGZPJMESA-N 2 2 354.454 2.986 10 5 FFBELP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646138 510276176 /nfs/dbraw/zinc/27/61/76/510276176.db2.gz VLIJUIHNWOWOFZ-HUUCEWRRSA-N 2 2 369.425 2.751 10 5 FFBELP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646138 510276181 /nfs/dbraw/zinc/27/61/81/510276181.db2.gz VLIJUIHNWOWOFZ-HUUCEWRRSA-N 2 2 369.425 2.751 10 5 FFBELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000178222381 510494932 /nfs/dbraw/zinc/49/49/32/510494932.db2.gz TYEQHUFZHDWWNZ-BBRMVZONSA-N 2 2 356.430 2.746 10 5 FFBELP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000180126660 509766490 /nfs/dbraw/zinc/76/64/90/509766490.db2.gz BRMFNYRVMJSKHS-HNNXBMFYSA-N 2 2 360.414 2.782 10 5 FFBELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000180126660 509766498 /nfs/dbraw/zinc/76/64/98/509766498.db2.gz BRMFNYRVMJSKHS-HNNXBMFYSA-N 2 2 360.414 2.782 10 5 FFBELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000107303855 507842653 /nfs/dbraw/zinc/84/26/53/507842653.db2.gz MHPFEGSOQKNADE-XJKSGUPXSA-N 2 2 356.430 2.746 10 5 FFBELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000182905910 509487525 /nfs/dbraw/zinc/48/75/25/509487525.db2.gz HXIIWZRBMGAZSZ-KRWDZBQOSA-N 2 2 366.893 2.850 10 5 FFBELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000182905910 509487533 /nfs/dbraw/zinc/48/75/33/509487533.db2.gz HXIIWZRBMGAZSZ-KRWDZBQOSA-N 2 2 366.893 2.850 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154575210 508812767 /nfs/dbraw/zinc/81/27/67/508812767.db2.gz AQEZSAOLUPZNHS-SUMWQHHRSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154575210 508812769 /nfs/dbraw/zinc/81/27/69/508812769.db2.gz AQEZSAOLUPZNHS-SUMWQHHRSA-N 2 2 357.414 2.591 10 5 FFBELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000182901635 509485702 /nfs/dbraw/zinc/48/57/02/509485702.db2.gz RTKQCVSTENBBFJ-KRWDZBQOSA-N 2 2 366.893 2.850 10 5 FFBELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000182901635 509485713 /nfs/dbraw/zinc/48/57/13/509485713.db2.gz RTKQCVSTENBBFJ-KRWDZBQOSA-N 2 2 366.893 2.850 10 5 FFBELP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194266203 510285676 /nfs/dbraw/zinc/28/56/76/510285676.db2.gz BLEAFSCMSXBATP-UHFFFAOYSA-N 2 2 353.338 2.979 10 5 FFBELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246923778 510748969 /nfs/dbraw/zinc/74/89/69/510748969.db2.gz NAMXVAZLCAUTKH-IUODEOHRSA-N 2 2 366.849 2.603 10 5 FFBELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246923778 510748975 /nfs/dbraw/zinc/74/89/75/510748975.db2.gz NAMXVAZLCAUTKH-IUODEOHRSA-N 2 2 366.849 2.603 10 5 FFBELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246923778 510748981 /nfs/dbraw/zinc/74/89/81/510748981.db2.gz NAMXVAZLCAUTKH-IUODEOHRSA-N 2 2 366.849 2.603 10 5 FFBELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246923778 510748989 /nfs/dbraw/zinc/74/89/89/510748989.db2.gz NAMXVAZLCAUTKH-IUODEOHRSA-N 2 2 366.849 2.603 10 5 FFBELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272104 510751071 /nfs/dbraw/zinc/75/10/71/510751071.db2.gz VILCDCVLGPSPMJ-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272104 510751073 /nfs/dbraw/zinc/75/10/73/510751073.db2.gz VILCDCVLGPSPMJ-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272104 510751075 /nfs/dbraw/zinc/75/10/75/510751075.db2.gz VILCDCVLGPSPMJ-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272104 510751079 /nfs/dbraw/zinc/75/10/79/510751079.db2.gz VILCDCVLGPSPMJ-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000194232365 510272742 /nfs/dbraw/zinc/27/27/42/510272742.db2.gz PEJLRQFIWIZWOT-UHFFFAOYSA-N 2 2 371.397 2.652 10 5 FFBELP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646109 510274275 /nfs/dbraw/zinc/27/42/75/510274275.db2.gz CBRTVIRLMHQZMQ-LSDHHAIUSA-N 2 2 369.425 2.751 10 5 FFBELP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646109 510274281 /nfs/dbraw/zinc/27/42/81/510274281.db2.gz CBRTVIRLMHQZMQ-LSDHHAIUSA-N 2 2 369.425 2.751 10 5 FFBELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272094 510750372 /nfs/dbraw/zinc/75/03/72/510750372.db2.gz VILCDCVLGPSPMJ-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272094 510750385 /nfs/dbraw/zinc/75/03/85/510750385.db2.gz VILCDCVLGPSPMJ-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272094 510750392 /nfs/dbraw/zinc/75/03/92/510750392.db2.gz VILCDCVLGPSPMJ-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272094 510750401 /nfs/dbraw/zinc/75/04/01/510750401.db2.gz VILCDCVLGPSPMJ-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315864 509527409 /nfs/dbraw/zinc/52/74/09/509527409.db2.gz ONUBAVLLWQOWCN-QRWLVFNGSA-N 2 2 355.438 2.665 10 5 FFBELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315864 509527414 /nfs/dbraw/zinc/52/74/14/509527414.db2.gz ONUBAVLLWQOWCN-QRWLVFNGSA-N 2 2 355.438 2.665 10 5 FFBELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000193429080 509911961 /nfs/dbraw/zinc/91/19/61/509911961.db2.gz LQTMPWOYGSJBGD-MRXNPFEDSA-N 2 2 363.458 2.549 10 5 FFBELP C[C@@H]1C[N@H+](C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000193429080 509911966 /nfs/dbraw/zinc/91/19/66/509911966.db2.gz LQTMPWOYGSJBGD-MRXNPFEDSA-N 2 2 363.458 2.549 10 5 FFBELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171653033 510284683 /nfs/dbraw/zinc/28/46/83/510284683.db2.gz IPNAAFMTPAPPKD-HNNXBMFYSA-N 2 2 369.425 2.671 10 5 FFBELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171653033 510284690 /nfs/dbraw/zinc/28/46/90/510284690.db2.gz IPNAAFMTPAPPKD-HNNXBMFYSA-N 2 2 369.425 2.671 10 5 FFBELP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246184675 510346424 /nfs/dbraw/zinc/34/64/24/510346424.db2.gz VLIJUIHNWOWOFZ-CABCVRRESA-N 2 2 369.425 2.751 10 5 FFBELP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246184675 510346430 /nfs/dbraw/zinc/34/64/30/510346430.db2.gz VLIJUIHNWOWOFZ-CABCVRRESA-N 2 2 369.425 2.751 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178752960 510753852 /nfs/dbraw/zinc/75/38/52/510753852.db2.gz ZNCFNDCYBXZYJQ-MRXNPFEDSA-N 2 2 357.414 2.511 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178752960 510753861 /nfs/dbraw/zinc/75/38/61/510753861.db2.gz ZNCFNDCYBXZYJQ-MRXNPFEDSA-N 2 2 357.414 2.511 10 5 FFBELP COc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000092812645 250002596 /nfs/dbraw/zinc/00/25/96/250002596.db2.gz DWMXLBBPJFBFHL-AWEZNQCLSA-N 2 2 372.425 2.941 10 5 FFBELP COc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000092812645 250002599 /nfs/dbraw/zinc/00/25/99/250002599.db2.gz DWMXLBBPJFBFHL-AWEZNQCLSA-N 2 2 372.425 2.941 10 5 FFBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246182160 510343494 /nfs/dbraw/zinc/34/34/94/510343494.db2.gz UXOJTYYPCCQLCE-CABCVRRESA-N 2 2 369.425 2.751 10 5 FFBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246182160 510343503 /nfs/dbraw/zinc/34/35/03/510343503.db2.gz UXOJTYYPCCQLCE-CABCVRRESA-N 2 2 369.425 2.751 10 5 FFBELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195285083 510759675 /nfs/dbraw/zinc/75/96/75/510759675.db2.gz KRGBLFBFOAPYMM-LJQANCHMSA-N 2 2 354.454 2.986 10 5 FFBELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195285083 510759682 /nfs/dbraw/zinc/75/96/82/510759682.db2.gz KRGBLFBFOAPYMM-LJQANCHMSA-N 2 2 354.454 2.986 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195285083 510759692 /nfs/dbraw/zinc/75/96/92/510759692.db2.gz KRGBLFBFOAPYMM-LJQANCHMSA-N 2 2 354.454 2.986 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195285083 510759699 /nfs/dbraw/zinc/75/96/99/510759699.db2.gz KRGBLFBFOAPYMM-LJQANCHMSA-N 2 2 354.454 2.986 10 5 FFBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217717 250258247 /nfs/dbraw/zinc/25/82/47/250258247.db2.gz OMHDLHUQUHEULQ-CQSZACIVSA-N 2 2 357.414 2.629 10 5 FFBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217717 250258253 /nfs/dbraw/zinc/25/82/53/250258253.db2.gz OMHDLHUQUHEULQ-CQSZACIVSA-N 2 2 357.414 2.629 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154563198 508810484 /nfs/dbraw/zinc/81/04/84/508810484.db2.gz BMBIOUILIJNURK-DZGCQCFKSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154563198 508810487 /nfs/dbraw/zinc/81/04/87/508810487.db2.gz BMBIOUILIJNURK-DZGCQCFKSA-N 2 2 357.414 2.591 10 5 FFBELP COc1ccc(OCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000173779570 509772232 /nfs/dbraw/zinc/77/22/32/509772232.db2.gz XHVPUSRASYIQBG-OAHLLOKOSA-N 2 2 372.425 2.811 10 5 FFBELP COc1ccc(OCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000173779570 509772235 /nfs/dbraw/zinc/77/22/35/509772235.db2.gz XHVPUSRASYIQBG-OAHLLOKOSA-N 2 2 372.425 2.811 10 5 FFBELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177056984 509843626 /nfs/dbraw/zinc/84/36/26/509843626.db2.gz IJDZVYVJUTZXLC-UHFFFAOYSA-N 2 2 355.398 2.924 10 5 FFBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647303 510278725 /nfs/dbraw/zinc/27/87/25/510278725.db2.gz RITBYDRGIKJJKM-OAHLLOKOSA-N 2 2 369.425 2.671 10 5 FFBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647303 510278735 /nfs/dbraw/zinc/27/87/35/510278735.db2.gz RITBYDRGIKJJKM-OAHLLOKOSA-N 2 2 369.425 2.671 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245952520 510225689 /nfs/dbraw/zinc/22/56/89/510225689.db2.gz PREGGWWJPPEVLB-CXAGYDPISA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245952520 510225692 /nfs/dbraw/zinc/22/56/92/510225692.db2.gz PREGGWWJPPEVLB-CXAGYDPISA-N 2 2 357.414 2.591 10 5 FFBELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000182901617 509486008 /nfs/dbraw/zinc/48/60/08/509486008.db2.gz RTKQCVSTENBBFJ-QGZVFWFLSA-N 2 2 366.893 2.850 10 5 FFBELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000182901617 509486018 /nfs/dbraw/zinc/48/60/18/509486018.db2.gz RTKQCVSTENBBFJ-QGZVFWFLSA-N 2 2 366.893 2.850 10 5 FFBELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315850 509526322 /nfs/dbraw/zinc/52/63/22/509526322.db2.gz ONUBAVLLWQOWCN-YWZLYKJASA-N 2 2 355.438 2.665 10 5 FFBELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315850 509526329 /nfs/dbraw/zinc/52/63/29/509526329.db2.gz ONUBAVLLWQOWCN-YWZLYKJASA-N 2 2 355.438 2.665 10 5 FFBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647596 510278672 /nfs/dbraw/zinc/27/86/72/510278672.db2.gz UXOJTYYPCCQLCE-HUUCEWRRSA-N 2 2 369.425 2.751 10 5 FFBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647596 510278679 /nfs/dbraw/zinc/27/86/79/510278679.db2.gz UXOJTYYPCCQLCE-HUUCEWRRSA-N 2 2 369.425 2.751 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000178328647 510547944 /nfs/dbraw/zinc/54/79/44/510547944.db2.gz BJNNAWFSMXXARZ-MRXNPFEDSA-N 2 2 368.397 2.814 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000178328647 510547949 /nfs/dbraw/zinc/54/79/49/510547949.db2.gz BJNNAWFSMXXARZ-MRXNPFEDSA-N 2 2 368.397 2.814 10 5 FFBELP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000193854756 510101911 /nfs/dbraw/zinc/10/19/11/510101911.db2.gz NUNTUWVSCIKOCK-CYBMUJFWSA-N 2 2 357.370 2.832 10 5 FFBELP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000193854756 510101915 /nfs/dbraw/zinc/10/19/15/510101915.db2.gz NUNTUWVSCIKOCK-CYBMUJFWSA-N 2 2 357.370 2.832 10 5 FFBELP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190490163 510161532 /nfs/dbraw/zinc/16/15/32/510161532.db2.gz ZJEIFHQOXXOZOX-SFHVURJKSA-N 2 2 370.453 2.952 10 5 FFBELP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190490163 510161535 /nfs/dbraw/zinc/16/15/35/510161535.db2.gz ZJEIFHQOXXOZOX-SFHVURJKSA-N 2 2 370.453 2.952 10 5 FFBELP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190490163 510161539 /nfs/dbraw/zinc/16/15/39/510161539.db2.gz ZJEIFHQOXXOZOX-SFHVURJKSA-N 2 2 370.453 2.952 10 5 FFBELP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c2c(c1)COCO2 ZINC000171646844 510274558 /nfs/dbraw/zinc/27/45/58/510274558.db2.gz HXTUGTYPLQLXPD-AWEZNQCLSA-N 2 2 370.409 2.790 10 5 FFBELP O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c2c(c1)COCO2 ZINC000171646844 510274565 /nfs/dbraw/zinc/27/45/65/510274565.db2.gz HXTUGTYPLQLXPD-AWEZNQCLSA-N 2 2 370.409 2.790 10 5 FFBELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272396 510750920 /nfs/dbraw/zinc/75/09/20/510750920.db2.gz BWHGIGYDXBUJKG-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272396 510750925 /nfs/dbraw/zinc/75/09/25/510750925.db2.gz BWHGIGYDXBUJKG-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272396 510750929 /nfs/dbraw/zinc/75/09/29/510750929.db2.gz BWHGIGYDXBUJKG-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272396 510750933 /nfs/dbraw/zinc/75/09/33/510750933.db2.gz BWHGIGYDXBUJKG-GOSISDBHSA-N 2 2 370.453 2.823 10 5 FFBELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000106166116 250245580 /nfs/dbraw/zinc/24/55/80/250245580.db2.gz VIQDMOAJCAWDPQ-UHFFFAOYSA-N 2 2 372.425 2.650 10 5 FFBELP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166047 250246424 /nfs/dbraw/zinc/24/64/24/250246424.db2.gz PYOFWPXDJFBOIQ-CQSZACIVSA-N 2 2 371.441 2.610 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154553519 508808292 /nfs/dbraw/zinc/80/82/92/508808292.db2.gz QYNATXINNUKYHK-GOEBONIOSA-N 2 2 371.441 2.900 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154553519 508808294 /nfs/dbraw/zinc/80/82/94/508808294.db2.gz QYNATXINNUKYHK-GOEBONIOSA-N 2 2 371.441 2.900 10 5 FFBELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000178222405 510495411 /nfs/dbraw/zinc/49/54/11/510495411.db2.gz TYEQHUFZHDWWNZ-XJKSGUPXSA-N 2 2 356.430 2.746 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000178313971 510542214 /nfs/dbraw/zinc/54/22/14/510542214.db2.gz MNZUSAQTTSUYMM-MRXNPFEDSA-N 2 2 368.397 2.814 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000178313971 510542226 /nfs/dbraw/zinc/54/22/26/510542226.db2.gz MNZUSAQTTSUYMM-MRXNPFEDSA-N 2 2 368.397 2.814 10 5 FFBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166584 250247151 /nfs/dbraw/zinc/24/71/51/250247151.db2.gz GQBBTEJMPBCHFK-CQSZACIVSA-N 2 2 371.441 2.610 10 5 FFBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000106214690 250257183 /nfs/dbraw/zinc/25/71/83/250257183.db2.gz LNHOVZCNPYBHEE-QGZVFWFLSA-N 2 2 371.441 2.654 10 5 FFBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000106214690 250257187 /nfs/dbraw/zinc/25/71/87/250257187.db2.gz LNHOVZCNPYBHEE-QGZVFWFLSA-N 2 2 371.441 2.654 10 5 FFBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217720 250260196 /nfs/dbraw/zinc/26/01/96/250260196.db2.gz OMHDLHUQUHEULQ-AWEZNQCLSA-N 2 2 357.414 2.629 10 5 FFBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217720 250260200 /nfs/dbraw/zinc/26/02/00/250260200.db2.gz OMHDLHUQUHEULQ-AWEZNQCLSA-N 2 2 357.414 2.629 10 5 FFBELP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000255883832 509937079 /nfs/dbraw/zinc/93/70/79/509937079.db2.gz IYAYUQMBPBGUSP-DAXSKMNVSA-N 2 2 369.469 2.901 10 5 FFBELP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000255883832 509937084 /nfs/dbraw/zinc/93/70/84/509937084.db2.gz IYAYUQMBPBGUSP-DAXSKMNVSA-N 2 2 369.469 2.901 10 5 FFBELP C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000180667280 510045002 /nfs/dbraw/zinc/04/50/02/510045002.db2.gz BFSSWHYOJXYEMO-CYBMUJFWSA-N 2 2 365.393 2.730 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178752973 510753615 /nfs/dbraw/zinc/75/36/15/510753615.db2.gz ZNCFNDCYBXZYJQ-INIZCTEOSA-N 2 2 357.414 2.511 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178752973 510753623 /nfs/dbraw/zinc/75/36/23/510753623.db2.gz ZNCFNDCYBXZYJQ-INIZCTEOSA-N 2 2 357.414 2.511 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154542664 508805572 /nfs/dbraw/zinc/80/55/72/508805572.db2.gz PREGGWWJPPEVLB-SUMWQHHRSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000121203823 509149652 /nfs/dbraw/zinc/14/96/52/509149652.db2.gz DTASHHJTKXGDBV-UHFFFAOYSA-N 2 2 357.458 2.696 10 5 FFBELP Cc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000121203823 509149655 /nfs/dbraw/zinc/14/96/55/509149655.db2.gz DTASHHJTKXGDBV-UHFFFAOYSA-N 2 2 357.458 2.696 10 5 FFBELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193910377 510124440 /nfs/dbraw/zinc/12/44/40/510124440.db2.gz NHJWXRAVDHONRB-UHFFFAOYSA-N 2 2 359.386 2.691 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154553400 508808032 /nfs/dbraw/zinc/80/80/32/508808032.db2.gz QYNATXINNUKYHK-GDBMZVCRSA-N 2 2 371.441 2.900 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154553400 508808036 /nfs/dbraw/zinc/80/80/36/508808036.db2.gz QYNATXINNUKYHK-GDBMZVCRSA-N 2 2 371.441 2.900 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154542562 508805630 /nfs/dbraw/zinc/80/56/30/508805630.db2.gz PREGGWWJPPEVLB-GUYCJALGSA-N 2 2 357.414 2.591 10 5 FFBELP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166045 250247125 /nfs/dbraw/zinc/24/71/25/250247125.db2.gz PYOFWPXDJFBOIQ-AWEZNQCLSA-N 2 2 371.441 2.610 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245903412 510198379 /nfs/dbraw/zinc/19/83/79/510198379.db2.gz BMBIOUILIJNURK-HIFRSBDPSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245903412 510198384 /nfs/dbraw/zinc/19/83/84/510198384.db2.gz BMBIOUILIJNURK-HIFRSBDPSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647316 510278172 /nfs/dbraw/zinc/27/81/72/510278172.db2.gz JKAVHAHILLWIAQ-OAHLLOKOSA-N 2 2 369.425 2.671 10 5 FFBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647316 510278176 /nfs/dbraw/zinc/27/81/76/510278176.db2.gz JKAVHAHILLWIAQ-OAHLLOKOSA-N 2 2 369.425 2.671 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000178328631 510549080 /nfs/dbraw/zinc/54/90/80/510549080.db2.gz BJNNAWFSMXXARZ-INIZCTEOSA-N 2 2 368.397 2.814 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000178328631 510549092 /nfs/dbraw/zinc/54/90/92/510549092.db2.gz BJNNAWFSMXXARZ-INIZCTEOSA-N 2 2 368.397 2.814 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178746793 510751322 /nfs/dbraw/zinc/75/13/22/510751322.db2.gz NITLKRLLNXRCGR-MRXNPFEDSA-N 2 2 357.414 2.511 10 5 FFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178746793 510751325 /nfs/dbraw/zinc/75/13/25/510751325.db2.gz NITLKRLLNXRCGR-MRXNPFEDSA-N 2 2 357.414 2.511 10 5 FFBELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182352256 509189099 /nfs/dbraw/zinc/18/90/99/509189099.db2.gz LLLHLSYNDLCHKZ-KRWDZBQOSA-N 2 2 366.893 2.850 10 5 FFBELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182352256 509189104 /nfs/dbraw/zinc/18/91/04/509189104.db2.gz LLLHLSYNDLCHKZ-KRWDZBQOSA-N 2 2 366.893 2.850 10 5 FFBELP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246073031 510277749 /nfs/dbraw/zinc/27/77/49/510277749.db2.gz CBRTVIRLMHQZMQ-GJZGRUSLSA-N 2 2 369.425 2.751 10 5 FFBELP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246073031 510277756 /nfs/dbraw/zinc/27/77/56/510277756.db2.gz CBRTVIRLMHQZMQ-GJZGRUSLSA-N 2 2 369.425 2.751 10 5 FFBELP Cc1c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000106128892 250240362 /nfs/dbraw/zinc/24/03/62/250240362.db2.gz OOYAIUBPQQCRNC-UHFFFAOYSA-N 2 2 357.458 2.696 10 5 FFBELP Cc1c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000106128892 250240368 /nfs/dbraw/zinc/24/03/68/250240368.db2.gz OOYAIUBPQQCRNC-UHFFFAOYSA-N 2 2 357.458 2.696 10 5 FFBELP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000121197296 509148507 /nfs/dbraw/zinc/14/85/07/509148507.db2.gz IYAYUQMBPBGUSP-QPJJXVBHSA-N 2 2 369.469 2.901 10 5 FFBELP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000121197296 509148508 /nfs/dbraw/zinc/14/85/08/509148508.db2.gz IYAYUQMBPBGUSP-QPJJXVBHSA-N 2 2 369.469 2.901 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000178747174 510751773 /nfs/dbraw/zinc/75/17/73/510751773.db2.gz WZPITTKHWVCVSH-INIZCTEOSA-N 2 2 368.397 2.814 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000178747174 510751782 /nfs/dbraw/zinc/75/17/82/510751782.db2.gz WZPITTKHWVCVSH-INIZCTEOSA-N 2 2 368.397 2.814 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245899648 510195666 /nfs/dbraw/zinc/19/56/66/510195666.db2.gz AQEZSAOLUPZNHS-DYVFJYSZSA-N 2 2 357.414 2.591 10 5 FFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245899648 510195669 /nfs/dbraw/zinc/19/56/69/510195669.db2.gz AQEZSAOLUPZNHS-DYVFJYSZSA-N 2 2 357.414 2.591 10 5 FFBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646114 510275325 /nfs/dbraw/zinc/27/53/25/510275325.db2.gz CBRTVIRLMHQZMQ-HUUCEWRRSA-N 2 2 369.425 2.751 10 5 FFBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646114 510275331 /nfs/dbraw/zinc/27/53/31/510275331.db2.gz CBRTVIRLMHQZMQ-HUUCEWRRSA-N 2 2 369.425 2.751 10 5 FFBELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272380 510750970 /nfs/dbraw/zinc/75/09/70/510750970.db2.gz BWHGIGYDXBUJKG-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272380 510750973 /nfs/dbraw/zinc/75/09/73/510750973.db2.gz BWHGIGYDXBUJKG-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272380 510750976 /nfs/dbraw/zinc/75/09/76/510750976.db2.gz BWHGIGYDXBUJKG-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272380 510750981 /nfs/dbraw/zinc/75/09/81/510750981.db2.gz BWHGIGYDXBUJKG-SFHVURJKSA-N 2 2 370.453 2.823 10 5 FFBELP Cc1c(NC(=O)CC[NH+]2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000104080288 250167823 /nfs/dbraw/zinc/16/78/23/250167823.db2.gz WXZHIABTOJGBGU-UHFFFAOYSA-N 2 2 360.458 2.792 10 5 FFBELP