smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000872032838 731722579 /nfs/dbraw/zinc/72/25/79/731722579.db2.gz AZDLHWOFQCPHBF-HNNXBMFYSA-N 2 0 366.531 2.995 20 5 FFBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000783631005 738821256 /nfs/dbraw/zinc/82/12/56/738821256.db2.gz WSMAMOAKDRLYIG-CQSZACIVSA-N 2 0 352.866 2.506 20 5 FFBDRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000922390383 988546152 /nfs/dbraw/zinc/54/61/52/988546152.db2.gz ZDTFRCAAAHSGFQ-FDVPUPKSSA-N 2 0 359.470 2.677 20 5 FFBDRP CC(C)N(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000903886253 1016287611 /nfs/dbraw/zinc/28/76/11/1016287611.db2.gz ODFMGNCUTAKSLW-QGZVFWFLSA-N 2 0 358.446 2.521 20 5 FFBDRP O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980415 1016354982 /nfs/dbraw/zinc/35/49/82/1016354982.db2.gz RGGZSHXWKRKERC-DKUZWENOSA-N 2 0 356.470 2.509 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850509801 1005819623 /nfs/dbraw/zinc/81/96/23/1005819623.db2.gz STVYZGDXGSDOKZ-RDTXWAMCSA-N 2 0 370.453 2.594 20 5 FFBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000819015668 1008023875 /nfs/dbraw/zinc/02/38/75/1008023875.db2.gz MZCXRZIISUKCMA-WIYYLYMNSA-N 2 0 369.465 2.782 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866260619 1010964426 /nfs/dbraw/zinc/96/44/26/1010964426.db2.gz WCSFAAGORKIDIJ-HOTGVXAUSA-N 2 0 366.481 2.528 20 5 FFBDRP NC(=[NH2+])SCCSC(=[NH2+])N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913407 1012126403 /nfs/dbraw/zinc/12/64/03/1012126403.db2.gz VQGQNYSYCSOGQY-LBPRGKRZSA-N 2 0 367.500 2.726 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001173191018 1012331399 /nfs/dbraw/zinc/33/13/99/1012331399.db2.gz ZNNGHEUQVGLGSF-ZDUSSCGKSA-N 2 0 353.438 2.947 20 5 FFBDRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000902428516 1020195482 /nfs/dbraw/zinc/19/54/82/1020195482.db2.gz DUDZDNBGVLMWOD-GJZGRUSLSA-N 2 0 363.458 2.609 20 5 FFBDRP CC[N+](C)(C)Cc1ccccc1N(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC001166470298 1030413663 /nfs/dbraw/zinc/41/36/63/1030413663.db2.gz DLBDJUZAVKNMHT-UHFFFAOYSA-N 2 0 362.519 2.839 20 5 FFBDRP COc1cc(N2CCC([NH2+]CC3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256082863 1038366449 /nfs/dbraw/zinc/36/64/49/1038366449.db2.gz LKYHXPBUPRYEKV-UHFFFAOYSA-N 2 0 362.474 2.504 20 5 FFBDRP COc1cc(N2CCC([N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001246935649 1039538117 /nfs/dbraw/zinc/53/81/17/1039538117.db2.gz VZTKDONHMJBESM-IYBDPMFKSA-N 2 0 374.485 2.504 20 5 FFBDRP C[NH+](C)C[C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC001262554741 1041717697 /nfs/dbraw/zinc/71/76/97/1041717697.db2.gz QCBVBCBQFDFFDL-CHWSQXEVSA-N 2 0 374.407 2.789 20 5 FFBDRP CC1(C)C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001461977098 1061467005 /nfs/dbraw/zinc/46/70/05/1061467005.db2.gz NZHIUAGLHVTJIL-UHFFFAOYSA-N 2 0 361.486 2.960 20 5 FFBDRP CC[C@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001474356276 1065501319 /nfs/dbraw/zinc/50/13/19/1065501319.db2.gz YQBUIRHTAVYKPZ-AZUAARDMSA-N 2 0 361.486 2.552 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000152832613 251074048 /nfs/dbraw/zinc/07/40/48/251074048.db2.gz WYPHOXOGVITGPV-OAHLLOKOSA-N 2 0 364.490 2.670 20 5 FFBDRP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272537225 252062685 /nfs/dbraw/zinc/06/26/85/252062685.db2.gz KSRQENDSRCXOHN-UHFFFAOYSA-N 2 0 357.458 2.817 20 5 FFBDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289388348 257277939 /nfs/dbraw/zinc/27/79/39/257277939.db2.gz DLGWVMSFEKFCPY-UHFFFAOYSA-N 2 0 372.469 2.924 20 5 FFBDRP Cc1c([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cccc1[N+](=O)[O-] ZINC000159165757 508802027 /nfs/dbraw/zinc/80/20/27/508802027.db2.gz ARQUTBXCAIKOHX-INIZCTEOSA-N 2 0 369.469 2.901 20 5 FFBDRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000159172782 508803661 /nfs/dbraw/zinc/80/36/61/508803661.db2.gz JBWYUADEZRALJY-LJQANCHMSA-N 2 0 369.469 2.983 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150804701 508896736 /nfs/dbraw/zinc/89/67/36/508896736.db2.gz VNAWACPNCUUOTC-INIZCTEOSA-N 2 0 360.458 2.650 20 5 FFBDRP O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000248134569 509242946 /nfs/dbraw/zinc/24/29/46/509242946.db2.gz OWZLPPXFLVIDPU-AZUAARDMSA-N 2 0 369.469 2.778 20 5 FFBDRP O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000248198585 509259648 /nfs/dbraw/zinc/25/96/48/509259648.db2.gz XWUABLDAYAZESK-RTBURBONSA-N 2 0 369.469 2.778 20 5 FFBDRP CC(C)[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000192648118 509582538 /nfs/dbraw/zinc/58/25/38/509582538.db2.gz HNBCFBYCLBTZPZ-VQTJNVASSA-N 2 0 360.502 2.834 20 5 FFBDRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192666045 509589658 /nfs/dbraw/zinc/58/96/58/509589658.db2.gz UVMXMDIULIDOBC-FQEVSTJZSA-N 2 0 360.502 2.980 20 5 FFBDRP CN1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)CC1 ZINC000367518178 512539117 /nfs/dbraw/zinc/53/91/17/512539117.db2.gz MIPNRYWVKZOYNF-ZDUSSCGKSA-N 2 0 370.400 2.777 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345401 514103330 /nfs/dbraw/zinc/10/33/30/514103330.db2.gz WDQMBNHCFKJTJN-KRWDZBQOSA-N 2 0 360.458 2.696 20 5 FFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475564001 514715769 /nfs/dbraw/zinc/71/57/69/514715769.db2.gz RYBQTMQQJMXYSX-NXVRBGIVSA-N 2 0 360.458 2.918 20 5 FFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000532204727 516857050 /nfs/dbraw/zinc/85/70/50/516857050.db2.gz RPJOEDGNBAGAEJ-AWEZNQCLSA-N 2 0 360.458 2.918 20 5 FFBDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000572226624 519506295 /nfs/dbraw/zinc/50/62/95/519506295.db2.gz WJUGMBMBYNPLAS-HXUWFJFHSA-N 2 0 360.502 2.980 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC([C@@H]3CCC[NH2+]C3)CC1)OCCO2 ZINC000594735199 520123159 /nfs/dbraw/zinc/12/31/59/520123159.db2.gz HOATVDBLOOZZAW-OAHLLOKOSA-N 2 0 361.442 2.578 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000594973615 520236325 /nfs/dbraw/zinc/23/63/25/520236325.db2.gz GVZNTPPFNSCTNL-FQEVSTJZSA-N 2 0 355.438 2.760 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592494013 520415918 /nfs/dbraw/zinc/41/59/18/520415918.db2.gz ZHJZLYUSVJSRHO-CVEARBPZSA-N 2 0 360.458 2.635 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592493963 520416621 /nfs/dbraw/zinc/41/66/21/520416621.db2.gz XYYBOBQYTZPRSZ-GVDBMIGSSA-N 2 0 374.485 2.942 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900419 520806055 /nfs/dbraw/zinc/80/60/55/520806055.db2.gz FPDRYIQGRKHZBA-QGZVFWFLSA-N 2 0 374.485 2.943 20 5 FFBDRP COc1ccc(OCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000595901414 520807772 /nfs/dbraw/zinc/80/77/72/520807772.db2.gz VJNPCLWYAOBNJB-INIZCTEOSA-N 2 0 363.458 2.694 20 5 FFBDRP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900786 520808011 /nfs/dbraw/zinc/80/80/11/520808011.db2.gz LFQWOIBPDUZOLK-GOEBONIOSA-N 2 0 360.458 2.633 20 5 FFBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901290 520808368 /nfs/dbraw/zinc/80/83/68/520808368.db2.gz UUEAVHDNCMVHTI-GOEBONIOSA-N 2 0 360.458 2.633 20 5 FFBDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602509997 521386923 /nfs/dbraw/zinc/38/69/23/521386923.db2.gz JBWXKDBQZJFZJT-UHFFFAOYSA-N 2 0 374.407 2.729 20 5 FFBDRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000922388932 738135590 /nfs/dbraw/zinc/13/55/90/738135590.db2.gz RZBIUCSXAJRUKU-TVFCKZIOSA-N 2 0 367.877 2.818 20 5 FFBDRP COc1cc(C[NH2+]C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000843104071 747771946 /nfs/dbraw/zinc/77/19/46/747771946.db2.gz FXKMUCKJYJYAPB-UHFFFAOYSA-N 2 0 359.373 2.607 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873292766 1013465279 /nfs/dbraw/zinc/46/52/79/1013465279.db2.gz VWYVCEUXWQXNII-QZTJIDSGSA-N 2 0 359.470 2.664 20 5 FFBDRP C[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000877496419 1014600023 /nfs/dbraw/zinc/60/00/23/1014600023.db2.gz SGUCWOKIOXIVLM-AFMYVXGZSA-N 2 0 369.469 2.997 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249055 1015437414 /nfs/dbraw/zinc/43/74/14/1015437414.db2.gz CROOIOAYKCCLNZ-UHFFFAOYSA-N 2 0 360.458 2.650 20 5 FFBDRP [NH3+]C1CC[NH+](CCc2cn(-c3ncccc3[N+](=O)[O-])c3ccccc23)CC1 ZINC001170528314 1004631695 /nfs/dbraw/zinc/63/16/95/1004631695.db2.gz LCJKCCAHJGYIIA-UHFFFAOYSA-N 2 0 365.437 2.899 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000817969772 1007833906 /nfs/dbraw/zinc/83/39/06/1007833906.db2.gz ZXWIIALDDJJPBP-UHFFFAOYSA-N 2 0 352.438 2.957 20 5 FFBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000819206269 1008066207 /nfs/dbraw/zinc/06/62/07/1008066207.db2.gz SLBUAWXNXSLBHK-IBGZPJMESA-N 2 0 356.426 2.529 20 5 FFBDRP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232899 1012364190 /nfs/dbraw/zinc/36/41/90/1012364190.db2.gz JCAOECYSCUZLOQ-SFHVURJKSA-N 2 0 362.518 2.875 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)c1 ZINC001118198122 1022112735 /nfs/dbraw/zinc/11/27/35/1022112735.db2.gz HMWBZCASSCNBQU-UHFFFAOYSA-N 2 0 357.414 2.610 20 5 FFBDRP C[C@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1n1ccnc1 ZINC000246635784 1026304019 /nfs/dbraw/zinc/30/40/19/1026304019.db2.gz OOZXQPLWAAWOJO-WMLDXEAASA-N 2 0 367.413 2.590 20 5 FFBDRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001162465084 1028547254 /nfs/dbraw/zinc/54/72/54/1028547254.db2.gz BUDVTVYCOLIFBD-HUUCEWRRSA-N 2 0 350.463 2.583 20 5 FFBDRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842472317 1030748154 /nfs/dbraw/zinc/74/81/54/1030748154.db2.gz COIFSCHPFAEONA-MRXNPFEDSA-N 2 0 364.421 2.527 20 5 FFBDRP COc1cc(N2CCC([NH2+][C@H]3CCC[N@H+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087131 1038372767 /nfs/dbraw/zinc/37/27/67/1038372767.db2.gz PDVLIEMMWFSAQG-HNNXBMFYSA-N 2 0 362.474 2.646 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C[C@@H]2C)c1F ZINC001246097846 1039244491 /nfs/dbraw/zinc/24/44/91/1039244491.db2.gz OTOCKVWQESBBJW-MELADBBJSA-N 2 0 353.438 2.899 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)c1F ZINC001246097842 1039244700 /nfs/dbraw/zinc/24/47/00/1039244700.db2.gz OTOCKVWQESBBJW-HZSPNIEDSA-N 2 0 353.438 2.899 20 5 FFBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001246341128 1039318417 /nfs/dbraw/zinc/31/84/17/1039318417.db2.gz GORBZHSAOZHLNO-INIZCTEOSA-N 2 0 354.454 2.725 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CC[C@]34CCOC4)CC2)cc1 ZINC001308823235 1052503213 /nfs/dbraw/zinc/50/32/13/1052503213.db2.gz MHSAMOSZLDCFQN-HXUWFJFHSA-N 2 0 359.470 2.714 20 5 FFBDRP CC(C)C[C@@H](CO)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308850584 1052508388 /nfs/dbraw/zinc/50/83/88/1052508388.db2.gz HCSLYYFDFJRNAC-IBGZPJMESA-N 2 0 363.502 2.846 20 5 FFBDRP O=C(CC[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001336805735 1054243874 /nfs/dbraw/zinc/24/38/74/1054243874.db2.gz XQNHCUVZNDMCGF-INIZCTEOSA-N 2 0 360.458 2.635 20 5 FFBDRP CC[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001474356279 1065500789 /nfs/dbraw/zinc/50/07/89/1065500789.db2.gz YQBUIRHTAVYKPZ-UYAOXDASSA-N 2 0 361.486 2.552 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)N2CCC[C@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000267398028 251346091 /nfs/dbraw/zinc/34/60/91/251346091.db2.gz FHHSJYSHPAQTLG-KBPBESRZSA-N 2 0 357.414 2.833 20 5 FFBDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000075007438 508076821 /nfs/dbraw/zinc/07/68/21/508076821.db2.gz DYJJGFBHGPZCNG-UHFFFAOYSA-N 2 0 365.474 2.926 20 5 FFBDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081636305 508199765 /nfs/dbraw/zinc/19/97/65/508199765.db2.gz CDTUNQPMRPFHAI-MRXNPFEDSA-N 2 0 360.458 2.587 20 5 FFBDRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000124334408 508817522 /nfs/dbraw/zinc/81/75/22/508817522.db2.gz ILEKRRCMDPQJAO-FQEVSTJZSA-N 2 0 374.529 2.779 20 5 FFBDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236930104 509536122 /nfs/dbraw/zinc/53/61/22/509536122.db2.gz LEBOESTVORFBOG-HNNXBMFYSA-N 2 0 357.458 2.817 20 5 FFBDRP O=[N+]([O-])c1ccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173954352 509873170 /nfs/dbraw/zinc/87/31/70/509873170.db2.gz SBPSRCXQGWBCMD-UHFFFAOYSA-N 2 0 363.458 2.550 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246487524 510515858 /nfs/dbraw/zinc/51/58/58/510515858.db2.gz GYGPZIODBMOILR-VCBZYWHSSA-N 2 0 372.469 2.871 20 5 FFBDRP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000293166756 511866428 /nfs/dbraw/zinc/86/64/28/511866428.db2.gz CSFYARYWXZVVFL-UHFFFAOYSA-N 2 0 369.469 2.779 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1(C)C ZINC000441374205 513554293 /nfs/dbraw/zinc/55/42/93/513554293.db2.gz DOZMXTJEULCIAR-UHFFFAOYSA-N 2 0 372.469 2.970 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422742839 513919162 /nfs/dbraw/zinc/91/91/62/513919162.db2.gz QTLOKWPQDDOBQF-UYAOXDASSA-N 2 0 353.422 2.983 20 5 FFBDRP [NH3+]CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000420317557 514090772 /nfs/dbraw/zinc/09/07/72/514090772.db2.gz VCZUEODMILLLMC-UHFFFAOYSA-N 2 0 356.426 2.774 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000449160996 514097958 /nfs/dbraw/zinc/09/79/58/514097958.db2.gz DAERGSDXZAVCST-UTKZUKDTSA-N 2 0 369.465 2.752 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000449183344 514104039 /nfs/dbraw/zinc/10/40/39/514104039.db2.gz FQWYKWQCZFJELI-YSGRDPCXSA-N 2 0 361.486 2.883 20 5 FFBDRP CCC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403200 514131261 /nfs/dbraw/zinc/13/12/61/514131261.db2.gz ZBQUDBWGOOPIGQ-HOTGVXAUSA-N 2 0 374.407 2.862 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415132451 514459908 /nfs/dbraw/zinc/45/99/08/514459908.db2.gz UGJKMBHYPBPFJM-MJGOQNOKSA-N 2 0 363.458 2.712 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000589503508 519020524 /nfs/dbraw/zinc/02/05/24/519020524.db2.gz URLVJCMTSMUUMD-UHFFFAOYSA-N 2 0 363.458 2.935 20 5 FFBDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000592428530 520387586 /nfs/dbraw/zinc/38/75/86/520387586.db2.gz WKHJXOMOVXGISV-UHFFFAOYSA-N 2 0 360.483 2.660 20 5 FFBDRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593320724 520907839 /nfs/dbraw/zinc/90/78/39/520907839.db2.gz FENSVCNIWAJLPI-AWEZNQCLSA-N 2 0 356.426 2.821 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000872033406 731722455 /nfs/dbraw/zinc/72/24/55/731722455.db2.gz GRCLEUJSUHOTJM-KGLIPLIRSA-N 2 0 352.504 2.603 20 5 FFBDRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000922385382 738134893 /nfs/dbraw/zinc/13/48/93/738134893.db2.gz ASZDZKJNAYTHMH-TVFCKZIOSA-N 2 0 367.877 2.818 20 5 FFBDRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818340940 742265161 /nfs/dbraw/zinc/26/51/61/742265161.db2.gz SSDSKMAZBYPKSC-LBPRGKRZSA-N 2 0 366.849 2.651 20 5 FFBDRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)[C@@H]1C(C)C ZINC000922392707 988552244 /nfs/dbraw/zinc/55/22/44/988552244.db2.gz GOGRAJNCOPJJOR-AKHDSKFASA-N 2 0 365.449 2.693 20 5 FFBDRP CC(C)N(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000903886251 1016287802 /nfs/dbraw/zinc/28/78/02/1016287802.db2.gz ODFMGNCUTAKSLW-KRWDZBQOSA-N 2 0 358.446 2.521 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000925811339 1017856880 /nfs/dbraw/zinc/85/68/80/1017856880.db2.gz ZYWIJOBSGWOFEE-MRXNPFEDSA-N 2 0 354.454 2.851 20 5 FFBDRP COc1cc([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc([N+](=O)[O-])c1 ZINC000903123905 1020689547 /nfs/dbraw/zinc/68/95/47/1020689547.db2.gz CTPURCUYXAYGLV-BKTGTZMESA-N 2 0 363.458 2.632 20 5 FFBDRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001162465085 1028547116 /nfs/dbraw/zinc/54/71/16/1028547116.db2.gz BUDVTVYCOLIFBD-LSDHHAIUSA-N 2 0 350.463 2.583 20 5 FFBDRP [NH3+]CCCCCCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000842478792 1030755284 /nfs/dbraw/zinc/75/52/84/1030755284.db2.gz PCSFYEKAMFQUKR-UHFFFAOYSA-N 2 0 374.489 2.892 20 5 FFBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001219005240 1033455830 /nfs/dbraw/zinc/45/58/30/1033455830.db2.gz HYEIIRNUMWXTIY-BBRMVZONSA-N 2 0 350.422 2.632 20 5 FFBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001246341129 1039317623 /nfs/dbraw/zinc/31/76/23/1039317623.db2.gz GORBZHSAOZHLNO-MRXNPFEDSA-N 2 0 354.454 2.725 20 5 FFBDRP NC1=CC=C(C2CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)[NH2+]C1 ZINC001246492946 1039370205 /nfs/dbraw/zinc/37/02/05/1039370205.db2.gz FRDVHODXBJVKAQ-LJQANCHMSA-N 2 0 368.481 2.884 20 5 FFBDRP CCO[C@H]1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001561031441 1076322358 /nfs/dbraw/zinc/32/23/58/1076322358.db2.gz QYDAUCRPULCKHL-FQEVSTJZSA-N 2 0 361.486 2.960 20 5 FFBDRP C[NH+]1CCN(c2ccc(CC[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001561055574 1076326463 /nfs/dbraw/zinc/32/64/63/1076326463.db2.gz PUKDIZQATIEOPH-UHFFFAOYSA-N 2 0 368.481 2.721 20 5 FFBDRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000072720096 507847386 /nfs/dbraw/zinc/84/73/86/507847386.db2.gz CLODKSJNMAWUAP-INIZCTEOSA-N 2 0 360.458 2.731 20 5 FFBDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000189953821 509850197 /nfs/dbraw/zinc/85/01/97/509850197.db2.gz DWFVBNFXFMBOIX-HOTGVXAUSA-N 2 0 357.458 2.538 20 5 FFBDRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C1 ZINC000174773131 510304889 /nfs/dbraw/zinc/30/48/89/510304889.db2.gz RRAUKAZGKSQIFP-CZUORRHYSA-N 2 0 359.430 2.807 20 5 FFBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000271024212 511061246 /nfs/dbraw/zinc/06/12/46/511061246.db2.gz AYHQGVKDHWTBTM-JKSUJKDBSA-N 2 0 366.531 2.691 20 5 FFBDRP C[NH+]1CCC2(CCC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CC1 ZINC000374075226 512650354 /nfs/dbraw/zinc/65/03/54/512650354.db2.gz RBAROOAJMQOLIW-GOSISDBHSA-N 2 0 372.469 2.508 20 5 FFBDRP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422781921 513930819 /nfs/dbraw/zinc/93/08/19/513930819.db2.gz FPMKTPZPTLEKLP-PXNSSMCTSA-N 2 0 353.422 2.983 20 5 FFBDRP O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423010740 514007888 /nfs/dbraw/zinc/00/78/88/514007888.db2.gz HKLJAKDUIYNKCY-UYAOXDASSA-N 2 0 353.422 2.983 20 5 FFBDRP [NH3+]CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000420304634 514082281 /nfs/dbraw/zinc/08/22/81/514082281.db2.gz FEKDZDZFGNEIFP-UHFFFAOYSA-N 2 0 356.426 2.774 20 5 FFBDRP Cc1c(NC(=O)CC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000424301146 514449519 /nfs/dbraw/zinc/44/95/19/514449519.db2.gz XFBNDNILJVYXII-AWEZNQCLSA-N 2 0 360.458 2.696 20 5 FFBDRP COc1cccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000475355668 514633224 /nfs/dbraw/zinc/63/32/24/514633224.db2.gz XACAAHHCCMQRIK-UHFFFAOYSA-N 2 0 371.441 2.623 20 5 FFBDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000480731674 515060985 /nfs/dbraw/zinc/06/09/85/515060985.db2.gz QPOCWKCKKNNETQ-INIZCTEOSA-N 2 0 369.469 2.983 20 5 FFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000595101906 520294861 /nfs/dbraw/zinc/29/48/61/520294861.db2.gz GGWIDBVEPNKSMZ-QZTJIDSGSA-N 2 0 361.490 2.987 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000872067550 731725894 /nfs/dbraw/zinc/72/58/94/731725894.db2.gz BANGUMFDMHHHKG-AWEZNQCLSA-N 2 0 366.531 2.993 20 5 FFBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000844903121 748132560 /nfs/dbraw/zinc/13/25/60/748132560.db2.gz SRMUBSFWYXBIAS-VBQJREDUSA-N 2 0 353.850 2.967 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000236842540 977023965 /nfs/dbraw/zinc/02/39/65/977023965.db2.gz JPHNYSRPUKDFPI-HZPDHXFCSA-N 2 0 365.474 2.973 20 5 FFBDRP C[NH+](C)C1(C)CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000877711246 1014695308 /nfs/dbraw/zinc/69/53/08/1014695308.db2.gz ANLREDDCGZFPGM-UHFFFAOYSA-N 2 0 361.490 2.811 20 5 FFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947505 1007822461 /nfs/dbraw/zinc/82/24/61/1007822461.db2.gz OUHHERRPJWKDNJ-AWEZNQCLSA-N 2 0 356.426 2.603 20 5 FFBDRP CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000866226190 1010955197 /nfs/dbraw/zinc/95/51/97/1010955197.db2.gz HCLLTTOKXJVHMZ-KXBFYZLASA-N 2 0 366.481 2.527 20 5 FFBDRP [NH3+]CCCC[NH2+]CCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001162294693 1028494511 /nfs/dbraw/zinc/49/45/11/1028494511.db2.gz SRILCWRYDGUFIP-UHFFFAOYSA-N 2 0 361.421 2.926 20 5 FFBDRP [NH3+]CCCC[NH2+]CCCNc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001162294212 1028495157 /nfs/dbraw/zinc/49/51/57/1028495157.db2.gz DCLOUIGFYAILOZ-UHFFFAOYSA-N 2 0 351.838 2.927 20 5 FFBDRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001221254787 1034629117 /nfs/dbraw/zinc/62/91/17/1034629117.db2.gz SZLDODUQGFHMDJ-AOMKIAJQSA-N 2 0 361.489 2.931 20 5 FFBDRP CC[NH+](CC)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256083312 1038369451 /nfs/dbraw/zinc/36/94/51/1038369451.db2.gz RHRTWRHMRLACMW-UHFFFAOYSA-N 2 0 364.490 2.894 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CCC([NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001254475688 1040743882 /nfs/dbraw/zinc/74/38/82/1040743882.db2.gz GUFBITNCGKZGJL-UHFFFAOYSA-N 2 0 367.453 2.781 20 5 FFBDRP C[N@H+](C[C@@H](O)C1CC1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308745218 1052494160 /nfs/dbraw/zinc/49/41/60/1052494160.db2.gz SGLZRNLSMWIORF-HXUWFJFHSA-N 2 0 361.486 2.552 20 5 FFBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC001352759996 1055771769 /nfs/dbraw/zinc/77/17/69/1055771769.db2.gz IDWDROPODDXYGD-JYJNAYRXSA-N 2 0 357.458 2.873 20 5 FFBDRP Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278462799 256315750 /nfs/dbraw/zinc/31/57/50/256315750.db2.gz FMFFWHNKQMFAQV-UHFFFAOYSA-N 2 0 369.469 2.959 20 5 FFBDRP Cc1cc(NCCN2CCC([NH+](C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302019713 258082477 /nfs/dbraw/zinc/08/24/77/258082477.db2.gz NFVWOUUDVMIEOX-UHFFFAOYSA-N 2 0 357.458 2.889 20 5 FFBDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081631144 508199558 /nfs/dbraw/zinc/19/95/58/508199558.db2.gz XQIJFZQYUGZUNY-MRXNPFEDSA-N 2 0 360.458 2.587 20 5 FFBDRP Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181523820 510453609 /nfs/dbraw/zinc/45/36/09/510453609.db2.gz ZSEDIUXDGXCYTM-OAHLLOKOSA-N 2 0 356.426 2.610 20 5 FFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270857889 511007005 /nfs/dbraw/zinc/00/70/05/511007005.db2.gz ZHRQGQNJWCROND-UHFFFAOYSA-N 2 0 370.881 2.594 20 5 FFBDRP C[NH+]1CCC2(CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1 ZINC000369704751 512563987 /nfs/dbraw/zinc/56/39/87/512563987.db2.gz RFDWSWNLMFAPOJ-UHFFFAOYSA-N 2 0 361.442 2.769 20 5 FFBDRP C[NH2+]CCC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435376008 513569467 /nfs/dbraw/zinc/56/94/67/513569467.db2.gz XTUOBIYCXKYSLW-UHFFFAOYSA-N 2 0 357.458 2.817 20 5 FFBDRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435385713 513572636 /nfs/dbraw/zinc/57/26/36/513572636.db2.gz SVOSMIFXQFURAJ-JCGIZDLHSA-N 2 0 355.442 2.555 20 5 FFBDRP C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000417315653 514289950 /nfs/dbraw/zinc/28/99/50/514289950.db2.gz SQQYJHKYNACWGX-JXFKEZNVSA-N 2 0 360.502 2.835 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCN3CC[NH2+]CC3)s2)cc1 ZINC000414784070 514291799 /nfs/dbraw/zinc/29/17/99/514291799.db2.gz RLMIMQFMMXCHKO-UHFFFAOYSA-N 2 0 360.483 2.708 20 5 FFBDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417325470 514296759 /nfs/dbraw/zinc/29/67/59/514296759.db2.gz QRSHLUGSLCNBFF-HXUWFJFHSA-N 2 0 360.502 2.980 20 5 FFBDRP [NH3+]C1(CNCc2ccccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000415139369 514464639 /nfs/dbraw/zinc/46/46/39/514464639.db2.gz WOSFKKXNFPKNGK-UHFFFAOYSA-N 2 0 354.454 2.678 20 5 FFBDRP C[C@H]1CC2(C[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424388021 514469512 /nfs/dbraw/zinc/46/95/12/514469512.db2.gz YXVKFBOVGSLFEY-HNNXBMFYSA-N 2 0 369.469 2.959 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)s2)cc1 ZINC000491250232 515400680 /nfs/dbraw/zinc/40/06/80/515400680.db2.gz QGMGNQNDRSRVQD-KRWDZBQOSA-N 2 0 372.494 2.803 20 5 FFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000468740935 515498515 /nfs/dbraw/zinc/49/85/15/515498515.db2.gz VERKGYDSJZPMPG-GZIKRUCJSA-N 2 0 359.470 2.966 20 5 FFBDRP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459731227 515776366 /nfs/dbraw/zinc/77/63/66/515776366.db2.gz KYOVJRVIAMROGT-HNNXBMFYSA-N 2 0 357.458 2.817 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000592433775 520389966 /nfs/dbraw/zinc/38/99/66/520389966.db2.gz WNDVAYFTCRZBNS-LSDHHAIUSA-N 2 0 361.442 2.578 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592493964 520415864 /nfs/dbraw/zinc/41/58/64/520415864.db2.gz XYYBOBQYTZPRSZ-ULQDDVLXSA-N 2 0 374.485 2.942 20 5 FFBDRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595900914 520808293 /nfs/dbraw/zinc/80/82/93/520808293.db2.gz OXSPACROBVVOFQ-INIZCTEOSA-N 2 0 360.458 2.635 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)cn1 ZINC000602521177 521392908 /nfs/dbraw/zinc/39/29/08/521392908.db2.gz KGJQBYVCCBUAOH-UHFFFAOYSA-N 2 0 359.474 2.565 20 5 FFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615724179 521513123 /nfs/dbraw/zinc/51/31/23/521513123.db2.gz WBXFULGDAWYJTP-XOQYZJNISA-N 2 0 358.486 2.756 20 5 FFBDRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033168 731722525 /nfs/dbraw/zinc/72/25/25/731722525.db2.gz GBCFAITUKKPVFG-CQSZACIVSA-N 2 0 352.454 2.658 20 5 FFBDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036521 731722876 /nfs/dbraw/zinc/72/28/76/731722876.db2.gz TVSPWSXVCHGJPE-KBPBESRZSA-N 2 0 350.438 2.553 20 5 FFBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825275516 743239184 /nfs/dbraw/zinc/23/91/84/743239184.db2.gz RCZHHFZETAGBGC-UHFFFAOYSA-N 2 0 354.882 2.754 20 5 FFBDRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387111 747822528 /nfs/dbraw/zinc/82/25/28/747822528.db2.gz FEFXJYPLBQTVHU-CHWSQXEVSA-N 2 0 366.849 2.508 20 5 FFBDRP C[NH+]1CCC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)(c2ccccc2)CC1 ZINC000877718741 1014698810 /nfs/dbraw/zinc/69/88/10/1014698810.db2.gz RRNMUKQIFNMQIA-UHFFFAOYSA-N 2 0 369.469 2.748 20 5 FFBDRP C[NH+]1CCC2(CC1)CC[NH+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000879249757 1015438869 /nfs/dbraw/zinc/43/88/69/1015438869.db2.gz AGWSADDUECGUSA-SFHVURJKSA-N 2 0 372.469 2.508 20 5 FFBDRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046841 1000018579 /nfs/dbraw/zinc/01/85/79/1000018579.db2.gz NSUJAKNRPBACJT-MOPGFXCFSA-N 2 0 354.539 2.562 20 5 FFBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc(Cl)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC001170897277 1007896273 /nfs/dbraw/zinc/89/62/73/1007896273.db2.gz LIGRFFLAOPKBSC-LBPRGKRZSA-N 2 0 368.850 2.625 20 5 FFBDRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000859213698 1008488508 /nfs/dbraw/zinc/48/85/08/1008488508.db2.gz ZUTODGGAQKKICO-GOSISDBHSA-N 2 0 373.453 2.528 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000886869825 1008908123 /nfs/dbraw/zinc/90/81/23/1008908123.db2.gz JEAVTNXEXBCZTR-LJQANCHMSA-N 2 0 360.458 2.697 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CC[NH+](C3COC3)CC1)CC2 ZINC001172908722 1012080005 /nfs/dbraw/zinc/08/00/05/1012080005.db2.gz YZQBDIUYBRVUFD-GOSISDBHSA-N 2 0 359.470 2.543 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCN(CC[NH+]3CCCC3)CC1)CC2 ZINC001172921336 1012102132 /nfs/dbraw/zinc/10/21/32/1012102132.db2.gz OWAMWYWUHYGSMF-FQEVSTJZSA-N 2 0 372.513 2.556 20 5 FFBDRP O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCC[NH+]3CCCC3)CC2)c(F)c1 ZINC001173007369 1012176879 /nfs/dbraw/zinc/17/68/79/1012176879.db2.gz MEOXTRWBAUNKDR-UHFFFAOYSA-N 2 0 368.428 2.917 20 5 FFBDRP Cc1cc(Cl)nc(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001158575305 1027064349 /nfs/dbraw/zinc/06/43/49/1027064349.db2.gz KXBZDQUZNYIRFC-UHFFFAOYSA-N 2 0 367.881 2.604 20 5 FFBDRP [NH3+]CCc1cn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])c2cc[nH+]cc12 ZINC001160945657 1027935194 /nfs/dbraw/zinc/93/51/94/1027935194.db2.gz HOAWLBCBZKJDLK-UHFFFAOYSA-N 2 0 353.169 2.532 20 5 FFBDRP COc1cc(N2CCC([NH+]3CC4(C3)CC[NH+](C)CC4)CC2)ccc1[N+](=O)[O-] ZINC001256102015 1038388087 /nfs/dbraw/zinc/38/80/87/1038388087.db2.gz UNGKIRPWKPGTPQ-UHFFFAOYSA-N 2 0 374.485 2.600 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001246559273 1039395464 /nfs/dbraw/zinc/39/54/64/1039395464.db2.gz OUWRSUPDUWQBET-IHRRRGAJSA-N 2 0 353.438 2.980 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC001246561241 1039397629 /nfs/dbraw/zinc/39/76/29/1039397629.db2.gz JPOMULALJUZDSG-IHRRRGAJSA-N 2 0 353.438 2.980 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCOC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246633206 1039423700 /nfs/dbraw/zinc/42/37/00/1039423700.db2.gz FBRQXYUKSPNGEI-UYAOXDASSA-N 2 0 359.470 2.544 20 5 FFBDRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275449904 256008162 /nfs/dbraw/zinc/00/81/62/256008162.db2.gz IHYNJOJLCIQHCX-UHFFFAOYSA-N 2 0 366.437 2.867 20 5 FFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279139853 256386334 /nfs/dbraw/zinc/38/63/34/256386334.db2.gz RUWGNTQPUYSACH-BEFAXECRSA-N 2 0 360.502 2.933 20 5 FFBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279139859 256386438 /nfs/dbraw/zinc/38/64/38/256386438.db2.gz RUWGNTQPUYSACH-KXBFYZLASA-N 2 0 360.502 2.933 20 5 FFBDRP Cc1cc(N2CC[NH+](CCOC(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302188316 258093750 /nfs/dbraw/zinc/09/37/50/258093750.db2.gz QHSZDUQMVSOHID-UHFFFAOYSA-N 2 0 358.442 2.998 20 5 FFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000081095536 508137297 /nfs/dbraw/zinc/13/72/97/508137297.db2.gz UPSVCKKXTQQYLP-PBHICJAKSA-N 2 0 362.474 2.894 20 5 FFBDRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123167817 508646318 /nfs/dbraw/zinc/64/63/18/508646318.db2.gz MHHNDRGSEYMAGZ-UHFFFAOYSA-N 2 0 362.474 2.977 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150835219 508903872 /nfs/dbraw/zinc/90/38/72/508903872.db2.gz KNXQTKSCPNXIJK-INIZCTEOSA-N 2 0 360.458 2.650 20 5 FFBDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000189953841 509850544 /nfs/dbraw/zinc/85/05/44/509850544.db2.gz DWFVBNFXFMBOIX-HZPDHXFCSA-N 2 0 357.458 2.538 20 5 FFBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180497721 509956039 /nfs/dbraw/zinc/95/60/39/509956039.db2.gz TZPSKPPEJSMHOR-DYESRHJHSA-N 2 0 368.481 2.910 20 5 FFBDRP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423042368 514016800 /nfs/dbraw/zinc/01/68/00/514016800.db2.gz KVOYMFWQEGWHIX-HRCADAONSA-N 2 0 353.850 2.537 20 5 FFBDRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000415137157 514463688 /nfs/dbraw/zinc/46/36/88/514463688.db2.gz FFUFGPUZOIMRMF-UHFFFAOYSA-N 2 0 365.817 2.794 20 5 FFBDRP COc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000462795457 515248497 /nfs/dbraw/zinc/24/84/97/515248497.db2.gz SQCQLXYAGCVOHM-UHFFFAOYSA-N 2 0 371.441 2.623 20 5 FFBDRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000472553978 515310877 /nfs/dbraw/zinc/31/08/77/515310877.db2.gz IUMNMFFLMZQHEM-LJQANCHMSA-N 2 0 372.469 2.503 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878098 519944642 /nfs/dbraw/zinc/94/46/42/519944642.db2.gz UUBXLCZSIGJURU-UHFFFAOYSA-N 2 0 360.458 2.650 20 5 FFBDRP Cc1cc(N2CCOC3(CC[NH+](C)CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000591990882 520125189 /nfs/dbraw/zinc/12/51/89/520125189.db2.gz GBPFXLIHXVRDDX-UHFFFAOYSA-N 2 0 356.426 2.752 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600729385 520428727 /nfs/dbraw/zinc/42/87/27/520428727.db2.gz YLLWWWFHWFOAGT-JSGCOSHPSA-N 2 0 361.364 2.953 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900647 520806026 /nfs/dbraw/zinc/80/60/26/520806026.db2.gz IYHXWEGWCTVBBN-QGZVFWFLSA-N 2 0 374.485 2.943 20 5 FFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000593318010 520905008 /nfs/dbraw/zinc/90/50/08/520905008.db2.gz MOQLXTDKJYEKQZ-GFCCVEGCSA-N 2 0 360.389 2.700 20 5 FFBDRP C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593735707 521182166 /nfs/dbraw/zinc/18/21/66/521182166.db2.gz ZHELPGDCRUUCHJ-RISCZKNCSA-N 2 0 354.838 2.636 20 5 FFBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000593735959 521182399 /nfs/dbraw/zinc/18/23/99/521182399.db2.gz AYJYDPNHUMBGQB-LXZKKBNFSA-N 2 0 353.850 2.967 20 5 FFBDRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000618823001 521253141 /nfs/dbraw/zinc/25/31/41/521253141.db2.gz RLVCAVQHTQWACR-UHFFFAOYSA-N 2 0 373.457 2.569 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000872017513 731720783 /nfs/dbraw/zinc/72/07/83/731720783.db2.gz AXXJQJZUEZQHEV-CQSZACIVSA-N 2 0 352.504 2.605 20 5 FFBDRP Cc1cc(N2CCN(c3nccn3C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782954394 970058721 /nfs/dbraw/zinc/05/87/21/970058721.db2.gz ZULNZIHGDWTULO-UHFFFAOYSA-N 2 0 352.398 2.512 20 5 FFBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000819015665 1008023563 /nfs/dbraw/zinc/02/35/63/1008023563.db2.gz MZCXRZIISUKCMA-GHTZIAJQSA-N 2 0 369.465 2.782 20 5 FFBDRP O=C1NCC[C@]12C[N@H+](Cc1c3ccccc3cc3ccccc31)CC21C[NH2+]C1 ZINC001222521289 1033025295 /nfs/dbraw/zinc/02/52/95/1033025295.db2.gz PEKWQXHQCGIFDQ-DEOSSOPVSA-N 2 0 371.484 2.905 20 5 FFBDRP CCC[C@@]1(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[NH2+]1 ZINC001246455668 1039359120 /nfs/dbraw/zinc/35/91/20/1039359120.db2.gz IXWBQKWDGPVIRR-SFHVURJKSA-N 2 0 368.428 2.964 20 5 FFBDRP C[NH+]1CCN(c2cccc(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)c2)CC1 ZINC001254573054 1040810330 /nfs/dbraw/zinc/81/03/30/1040810330.db2.gz WCJJZOMZQBZVNW-IBGZPJMESA-N 2 0 366.465 2.604 20 5 FFBDRP C[N@@H+](Cc1cnccn1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001560659237 1076289152 /nfs/dbraw/zinc/28/91/52/1076289152.db2.gz BWRGCGRWMKDHOU-UHFFFAOYSA-N 2 0 369.469 2.771 20 5 FFBDRP Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093088634 250016026 /nfs/dbraw/zinc/01/60/26/250016026.db2.gz JLTVROMVNHQCFP-UHFFFAOYSA-N 2 0 357.458 2.769 20 5 FFBDRP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000268800253 251387756 /nfs/dbraw/zinc/38/77/56/251387756.db2.gz HIOFSVLWYJVLET-HXUWFJFHSA-N 2 0 374.529 2.923 20 5 FFBDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289417101 257280260 /nfs/dbraw/zinc/28/02/60/257280260.db2.gz IQKXKUHZWMVDFO-UHFFFAOYSA-N 2 0 372.469 2.924 20 5 FFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000081095871 508137325 /nfs/dbraw/zinc/13/73/25/508137325.db2.gz QZEDUSYWWSDMSM-QAPCUYQASA-N 2 0 362.474 2.894 20 5 FFBDRP C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000116396987 508507250 /nfs/dbraw/zinc/50/72/50/508507250.db2.gz CEYMVSGNBIKPLM-CJNGLKHVSA-N 2 0 350.463 2.878 20 5 FFBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186586894 509788543 /nfs/dbraw/zinc/78/85/43/509788543.db2.gz KHGUZKPBQCCCEC-NLWGTHIKSA-N 2 0 374.529 2.922 20 5 FFBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000271135024 511094001 /nfs/dbraw/zinc/09/40/01/511094001.db2.gz MSXQGCZLWXDQID-HZPDHXFCSA-N 2 0 366.531 2.691 20 5 FFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295840811 511532021 /nfs/dbraw/zinc/53/20/21/511532021.db2.gz NGHDWVDXWOTBLW-UHFFFAOYSA-N 2 0 370.881 2.594 20 5 FFBDRP CCc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423179119 514071171 /nfs/dbraw/zinc/07/11/71/514071171.db2.gz HBFNJOLNFBFDPF-FQEVSTJZSA-N 2 0 372.469 2.725 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333247 514098527 /nfs/dbraw/zinc/09/85/27/514098527.db2.gz FHBXFGUYXXDVPT-GOSISDBHSA-N 2 0 360.458 2.696 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000449232995 514125096 /nfs/dbraw/zinc/12/50/96/514125096.db2.gz JXTUZQNEBJLXNN-JXFKEZNVSA-N 2 0 369.465 2.882 20 5 FFBDRP Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000432865825 514305278 /nfs/dbraw/zinc/30/52/78/514305278.db2.gz MMRAOCFFWOOVMD-HNNXBMFYSA-N 2 0 358.442 2.786 20 5 FFBDRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414990563 514390551 /nfs/dbraw/zinc/39/05/51/514390551.db2.gz ABNZPRXIDGJPDN-AAEUAGOBSA-N 2 0 373.400 2.854 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470955781 514691025 /nfs/dbraw/zinc/69/10/25/514691025.db2.gz OOLVCLYVRHIBBZ-QGZVFWFLSA-N 2 0 374.485 2.896 20 5 FFBDRP C[NH+](C)Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000558573737 516816111 /nfs/dbraw/zinc/81/61/11/516816111.db2.gz ZRELRVIDQCYLIL-UHFFFAOYSA-N 2 0 356.426 2.775 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478719 520407185 /nfs/dbraw/zinc/40/71/85/520407185.db2.gz ITGSKIVCVWQHOH-QAPCUYQASA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492970 520416208 /nfs/dbraw/zinc/41/62/08/520416208.db2.gz JVAUFIOWCXKHLM-JKSUJKDBSA-N 2 0 360.458 2.553 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901308 520808040 /nfs/dbraw/zinc/80/80/40/520808040.db2.gz VFKAADMCWJQREO-INIZCTEOSA-N 2 0 360.458 2.553 20 5 FFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615724176 521512538 /nfs/dbraw/zinc/51/25/38/521512538.db2.gz WBXFULGDAWYJTP-QIPRVMPFSA-N 2 0 358.486 2.756 20 5 FFBDRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872023350 731721189 /nfs/dbraw/zinc/72/11/89/731721189.db2.gz RBNZDLKBYWEBHX-OAHLLOKOSA-N 2 0 352.454 2.802 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892927215 734624577 /nfs/dbraw/zinc/62/45/77/734624577.db2.gz CFWWWSURXUXWGK-CQSZACIVSA-N 2 0 354.882 2.611 20 5 FFBDRP COc1cc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000904444996 736252854 /nfs/dbraw/zinc/25/28/54/736252854.db2.gz UXHIVSWEMBXUNY-UHFFFAOYSA-N 2 0 351.447 2.809 20 5 FFBDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000817907898 742222018 /nfs/dbraw/zinc/22/20/18/742222018.db2.gz YSEVOSWLCCOGCX-GFCCVEGCSA-N 2 0 369.849 2.659 20 5 FFBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000844902199 748131695 /nfs/dbraw/zinc/13/16/95/748131695.db2.gz KZGIVXHBXUNEKP-MRRJBJDNSA-N 2 0 353.850 2.967 20 5 FFBDRP Cc1c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000873135555 1013396790 /nfs/dbraw/zinc/39/67/90/1013396790.db2.gz JRFHJDFMNQYYAO-IBGZPJMESA-N 2 0 355.438 2.760 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236842598 965748938 /nfs/dbraw/zinc/74/89/38/965748938.db2.gz JPHNYSRPUKDFPI-IYBDPMFKSA-N 2 0 365.474 2.973 20 5 FFBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)C2)c1 ZINC000877007459 1014447018 /nfs/dbraw/zinc/44/70/18/1014447018.db2.gz QXIPFXVSNHHLEQ-VIQWUECVSA-N 2 0 369.469 2.649 20 5 FFBDRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877007540 1014447404 /nfs/dbraw/zinc/44/74/04/1014447404.db2.gz UYUSAQFZKLKLQH-UHFFFAOYSA-N 2 0 373.457 2.615 20 5 FFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000877524743 1014611412 /nfs/dbraw/zinc/61/14/12/1014611412.db2.gz DIAPPAVURJGZOR-UHFFFAOYSA-N 2 0 360.502 2.671 20 5 FFBDRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000904392789 980263106 /nfs/dbraw/zinc/26/31/06/980263106.db2.gz ZWTOOIICMHVONT-AWEZNQCLSA-N 2 0 371.384 2.526 20 5 FFBDRP C[NH+]1CCC2(CC1)CC[NH+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000879249756 1015438879 /nfs/dbraw/zinc/43/88/79/1015438879.db2.gz AGWSADDUECGUSA-GOSISDBHSA-N 2 0 372.469 2.508 20 5 FFBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000866260787 1010964552 /nfs/dbraw/zinc/96/45/52/1010964552.db2.gz WZTOISYIFGKKLN-OAHLLOKOSA-N 2 0 366.481 2.528 20 5 FFBDRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906101 1012077066 /nfs/dbraw/zinc/07/70/66/1012077066.db2.gz XAPXVYIUMPMNAU-KZNAEPCWSA-N 2 0 359.470 2.813 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903091573 1020672371 /nfs/dbraw/zinc/67/23/71/1020672371.db2.gz WOSFDKPTXAEKAX-JKSUJKDBSA-N 2 0 364.490 2.528 20 5 FFBDRP C[NH+]1CCC(N(c2nc3ccccc3cc2[N+](=O)[O-])C2CC[NH2+]CC2)CC1 ZINC001158580981 1027065682 /nfs/dbraw/zinc/06/56/82/1027065682.db2.gz LLOFKWCCOKMWGG-UHFFFAOYSA-N 2 0 369.469 2.796 20 5 FFBDRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842474334 1030750052 /nfs/dbraw/zinc/75/00/52/1030750052.db2.gz NVKQSYULAPZNMB-SUMWQHHRSA-N 2 0 364.421 2.527 20 5 FFBDRP O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218979084 1033441159 /nfs/dbraw/zinc/44/11/59/1033441159.db2.gz CSBMKSFHSZPXCD-MRXNPFEDSA-N 2 0 361.449 2.596 20 5 FFBDRP COc1cc(N2CCC([N@H+]3C[C@H]4[C@H](C3)CCCN4C)CC2)ccc1[N+](=O)[O-] ZINC001256101346 1038387925 /nfs/dbraw/zinc/38/79/25/1038387925.db2.gz FMPGJPWTXYBQDE-KXBFYZLASA-N 2 0 374.485 2.598 20 5 FFBDRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246207164 1039279263 /nfs/dbraw/zinc/27/92/63/1039279263.db2.gz XAXIIKCHVBNXJA-DGCLKSJQSA-N 2 0 354.401 2.701 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001246558632 1039397094 /nfs/dbraw/zinc/39/70/94/1039397094.db2.gz NNNRYOPMYMLWTA-YVEFUNNKSA-N 2 0 357.401 2.826 20 5 FFBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC001335253207 1053270532 /nfs/dbraw/zinc/27/05/32/1053270532.db2.gz MAAXDKXLJBISMZ-JYJNAYRXSA-N 2 0 357.458 2.873 20 5 FFBDRP [NH2+]=C(NCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849072002 1055628059 /nfs/dbraw/zinc/62/80/59/1055628059.db2.gz YKEICUJDAVJPGM-UHFFFAOYSA-N 2 0 367.453 2.873 20 5 FFBDRP CC[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC001474356278 1065502619 /nfs/dbraw/zinc/50/26/19/1065502619.db2.gz YQBUIRHTAVYKPZ-QUCCMNQESA-N 2 0 361.486 2.552 20 5 FFBDRP CCn1ccc(C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001474580833 1065555497 /nfs/dbraw/zinc/55/54/97/1065555497.db2.gz FGCALAMLWFQXFI-UHFFFAOYSA-N 2 0 371.485 2.856 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000273455995 252310006 /nfs/dbraw/zinc/31/00/06/252310006.db2.gz POQSOWVXEOXRGP-UHFFFAOYSA-N 2 0 360.502 2.894 20 5 FFBDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072823445 507857942 /nfs/dbraw/zinc/85/79/42/507857942.db2.gz NEHAWUGAJCMTQL-INIZCTEOSA-N 2 0 362.474 2.896 20 5 FFBDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081636300 508199838 /nfs/dbraw/zinc/19/98/38/508199838.db2.gz CDTUNQPMRPFHAI-INIZCTEOSA-N 2 0 360.458 2.587 20 5 FFBDRP C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000116396994 508507216 /nfs/dbraw/zinc/50/72/16/508507216.db2.gz CEYMVSGNBIKPLM-CZUORRHYSA-N 2 0 350.463 2.878 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000152891076 508529265 /nfs/dbraw/zinc/52/92/65/508529265.db2.gz MZWVXFAUTZRVAI-MRXNPFEDSA-N 2 0 364.490 2.672 20 5 FFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000185877444 509401215 /nfs/dbraw/zinc/40/12/15/509401215.db2.gz ZPDVFFDXYXLCLU-MRXNPFEDSA-N 2 0 372.469 2.970 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000271481712 511219442 /nfs/dbraw/zinc/21/94/42/511219442.db2.gz NPSMRMKGRIXIGK-APWZRJJASA-N 2 0 365.474 2.700 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000274875403 511973141 /nfs/dbraw/zinc/97/31/41/511973141.db2.gz XIUYKPQCHWLSHB-IAGOWNOFSA-N 2 0 365.474 2.700 20 5 FFBDRP CCC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403202 514131159 /nfs/dbraw/zinc/13/11/59/514131159.db2.gz ZBQUDBWGOOPIGQ-JKSUJKDBSA-N 2 0 374.407 2.862 20 5 FFBDRP COCC1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]CC1 ZINC000414973651 514381580 /nfs/dbraw/zinc/38/15/80/514381580.db2.gz LGYUCJIBGDRDHA-UHFFFAOYSA-N 2 0 359.426 2.961 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424282774 514445976 /nfs/dbraw/zinc/44/59/76/514445976.db2.gz AKRJBAIAOGSMAT-HNNXBMFYSA-N 2 0 360.458 2.696 20 5 FFBDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000467840732 515143374 /nfs/dbraw/zinc/14/33/74/515143374.db2.gz WOLKFYHFNDLPMO-INIZCTEOSA-N 2 0 369.469 2.983 20 5 FFBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000579125613 518535303 /nfs/dbraw/zinc/53/53/03/518535303.db2.gz DVNMLSOQEKCZNZ-BHYGNILZSA-N 2 0 356.426 2.852 20 5 FFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000595101907 520294699 /nfs/dbraw/zinc/29/46/99/520294699.db2.gz GGWIDBVEPNKSMZ-ROUUACIJSA-N 2 0 361.490 2.987 20 5 FFBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493526 520415784 /nfs/dbraw/zinc/41/57/84/520415784.db2.gz UBORCMQXIKAKSB-JKSUJKDBSA-N 2 0 360.458 2.553 20 5 FFBDRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593315541 520903543 /nfs/dbraw/zinc/90/35/43/520903543.db2.gz LEQIJSWYOQVERU-LPHOPBHVSA-N 2 0 355.442 2.556 20 5 FFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000593318011 520904511 /nfs/dbraw/zinc/90/45/11/520904511.db2.gz MOQLXTDKJYEKQZ-LBPRGKRZSA-N 2 0 360.389 2.700 20 5 FFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602809365 521545777 /nfs/dbraw/zinc/54/57/77/521545777.db2.gz BXADCXHULZBGMD-QAPCUYQASA-N 2 0 357.458 2.600 20 5 FFBDRP O=C(CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000602847239 521567005 /nfs/dbraw/zinc/56/70/05/521567005.db2.gz UZEHYYUDZBOKCR-UHFFFAOYSA-N 2 0 369.425 2.531 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000872017512 731720824 /nfs/dbraw/zinc/72/08/24/731720824.db2.gz AXXJQJZUEZQHEV-AWEZNQCLSA-N 2 0 352.504 2.605 20 5 FFBDRP COc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000877684577 1014677873 /nfs/dbraw/zinc/67/78/73/1014677873.db2.gz QAVMYSMXMJZOER-UHFFFAOYSA-N 2 0 363.458 2.920 20 5 FFBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449022 991147699 /nfs/dbraw/zinc/14/76/99/991147699.db2.gz JPWRFARGXVLYLI-KRWDZBQOSA-N 2 0 363.458 2.712 20 5 FFBDRP COCC1(C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001182626407 1001973895 /nfs/dbraw/zinc/97/38/95/1001973895.db2.gz YOTDIVHLVZSWCD-UHFFFAOYSA-N 2 0 361.486 2.866 20 5 FFBDRP CC(C)[N@H+](C)CC1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794632864 1010448237 /nfs/dbraw/zinc/44/82/37/1010448237.db2.gz RRNVULNKMKDVNF-UHFFFAOYSA-N 2 0 362.430 2.512 20 5 FFBDRP Cc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000866012163 1010907210 /nfs/dbraw/zinc/90/72/10/1010907210.db2.gz SDGYHCWIVJBBGN-HZPDHXFCSA-N 2 0 371.485 2.627 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1F ZINC001173179429 1012321789 /nfs/dbraw/zinc/32/17/89/1012321789.db2.gz PKGOYWGQDOFAQC-KBPBESRZSA-N 2 0 353.438 2.995 20 5 FFBDRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000902428518 1020196371 /nfs/dbraw/zinc/19/63/71/1020196371.db2.gz DUDZDNBGVLMWOD-LSDHHAIUSA-N 2 0 363.458 2.609 20 5 FFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306127 1029792540 /nfs/dbraw/zinc/79/25/40/1029792540.db2.gz OHXPBNQNFNSANA-BULFRSBZSA-N 2 0 359.473 2.683 20 5 FFBDRP O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218979082 1033440650 /nfs/dbraw/zinc/44/06/50/1033440650.db2.gz CSBMKSFHSZPXCD-INIZCTEOSA-N 2 0 361.449 2.596 20 5 FFBDRP COc1cc(N2CCC([NH2+][C@@H]3CCC[N@H+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087132 1038372711 /nfs/dbraw/zinc/37/27/11/1038372711.db2.gz PDVLIEMMWFSAQG-OAHLLOKOSA-N 2 0 362.474 2.646 20 5 FFBDRP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254583931 1040816672 /nfs/dbraw/zinc/81/66/72/1040816672.db2.gz OYWSHZSSTPPGEB-LJQANCHMSA-N 2 0 366.465 2.604 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH+]3CC4(C3)CCOC4)CC2)cc1 ZINC001308793715 1052500018 /nfs/dbraw/zinc/50/00/18/1052500018.db2.gz YMIUEIYEXMLFCF-UHFFFAOYSA-N 2 0 359.470 2.572 20 5 FFBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC001338468869 1055543334 /nfs/dbraw/zinc/54/33/34/1055543334.db2.gz YWVXDZKLICDWAQ-HXUWFJFHSA-N 2 0 370.453 2.525 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]CC[C@@H](O)C3CC3)CC2)cc1 ZINC001462657902 1061709845 /nfs/dbraw/zinc/70/98/45/1061709845.db2.gz JUEONRWTXUYQSJ-HXUWFJFHSA-N 2 0 361.486 2.600 20 5 FFBDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000373173107 512205310 /nfs/dbraw/zinc/20/53/10/512205310.db2.gz MKZALQJPANREPS-JXFKEZNVSA-N 2 0 358.486 2.730 20 5 FFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000129094169 508682318 /nfs/dbraw/zinc/68/23/18/508682318.db2.gz RRUJPDWJIDBPPS-DYVFJYSZSA-N 2 0 366.437 2.725 20 5 FFBDRP CN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000154345213 508765105 /nfs/dbraw/zinc/76/51/05/508765105.db2.gz WEFFLAJNBTYEAT-LJQANCHMSA-N 2 0 360.502 2.533 20 5 FFBDRP C[NH+](C)C1CCN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000160163504 508948551 /nfs/dbraw/zinc/94/85/51/508948551.db2.gz LVCUCOYGYQIJSR-LJQANCHMSA-N 2 0 360.502 2.532 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192823672 509658868 /nfs/dbraw/zinc/65/88/68/509658868.db2.gz DIVNSLQBRXHOEZ-OXQOHEQNSA-N 2 0 360.502 2.835 20 5 FFBDRP C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1n1ccnc1 ZINC000247014315 510798288 /nfs/dbraw/zinc/79/82/88/510798288.db2.gz DFRWGSJKLRESGA-CZUORRHYSA-N 2 0 368.397 2.924 20 5 FFBDRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000374178830 512695829 /nfs/dbraw/zinc/69/58/29/512695829.db2.gz ZBODAMAJDAQSFQ-UHFFFAOYSA-N 2 0 360.458 2.731 20 5 FFBDRP C[NH2+]CC1CC[NH+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000430925133 513783183 /nfs/dbraw/zinc/78/31/83/513783183.db2.gz KMJDRIXRSDBORL-UHFFFAOYSA-N 2 0 359.373 2.636 20 5 FFBDRP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423042366 514016575 /nfs/dbraw/zinc/01/65/75/514016575.db2.gz KVOYMFWQEGWHIX-ARFHVFGLSA-N 2 0 353.850 2.537 20 5 FFBDRP C[NH+](C)CCOc1cnccc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000584195034 518223193 /nfs/dbraw/zinc/22/31/93/518223193.db2.gz KDFZBJVFLUSXHV-FNORWQNLSA-N 2 0 356.426 2.733 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000579013503 518480912 /nfs/dbraw/zinc/48/09/12/518480912.db2.gz CQUZTDRSKRPVNX-IBGZPJMESA-N 2 0 356.426 2.868 20 5 FFBDRP CSC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[NH+](C)CC1 ZINC000571693984 519224190 /nfs/dbraw/zinc/22/41/90/519224190.db2.gz FGPYYLGKZRYZPJ-GJZGRUSLSA-N 2 0 367.519 2.692 20 5 FFBDRP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000594976289 520237272 /nfs/dbraw/zinc/23/72/72/520237272.db2.gz YTJAYEQWZNZNKU-HQMUEHRGSA-N 2 0 367.449 2.964 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479450 520407316 /nfs/dbraw/zinc/40/73/16/520407316.db2.gz ZQFOKSJASCDSOH-RDJZCZTQSA-N 2 0 360.458 2.696 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000592492565 520417181 /nfs/dbraw/zinc/41/71/81/520417181.db2.gz AOLFLJXJFGSSBK-HZPDHXFCSA-N 2 0 371.441 2.856 20 5 FFBDRP C[NH+]1CCN(C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000611408972 521139385 /nfs/dbraw/zinc/13/93/85/521139385.db2.gz JTTLBMGMJUTADF-NRFANRHFSA-N 2 0 368.481 2.716 20 5 FFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602808860 521546096 /nfs/dbraw/zinc/54/60/96/521546096.db2.gz FGXGHVCYZDOGHH-IGOJGBNBSA-N 2 0 371.485 2.846 20 5 FFBDRP COc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1O ZINC000865717478 730989676 /nfs/dbraw/zinc/98/96/76/730989676.db2.gz ZEAFRUNEZNOGSX-UHFFFAOYSA-N 2 0 351.447 2.909 20 5 FFBDRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000922388931 738135356 /nfs/dbraw/zinc/13/53/56/738135356.db2.gz RZBIUCSXAJRUKU-BRSBDYLESA-N 2 0 367.877 2.818 20 5 FFBDRP [NH3+]CCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000841031929 747259295 /nfs/dbraw/zinc/25/92/95/747259295.db2.gz CGJDPISLLQQPKD-UHFFFAOYSA-N 2 0 351.353 2.987 20 5 FFBDRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000841104798 747270953 /nfs/dbraw/zinc/27/09/53/747270953.db2.gz SQBLGKCSZNKNSC-YOEHRIQHSA-N 2 0 353.850 2.967 20 5 FFBDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-] ZINC000130484162 1009340094 /nfs/dbraw/zinc/34/00/94/1009340094.db2.gz LHLRBZYCQYMGTO-MRXNPFEDSA-N 2 0 369.469 2.901 20 5 FFBDRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000925848466 1017872016 /nfs/dbraw/zinc/87/20/16/1017872016.db2.gz BCNURZBUILWHKW-WMLDXEAASA-N 2 0 373.453 2.592 20 5 FFBDRP Cc1nn(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749953201 1021162514 /nfs/dbraw/zinc/16/25/14/1021162514.db2.gz CHDXOOUROUXTIU-UHFFFAOYSA-N 2 0 360.462 2.658 20 5 FFBDRP CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160740189 1027846501 /nfs/dbraw/zinc/84/65/01/1027846501.db2.gz YPPFFRZTGJDWHG-OAQYLSRUSA-N 2 0 359.473 2.760 20 5 FFBDRP [NH3+]CCc1cn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)c2cc[nH+]cc12 ZINC001160951239 1027940212 /nfs/dbraw/zinc/94/02/12/1027940212.db2.gz AUFXGIASBCQRHI-UHFFFAOYSA-N 2 0 360.377 2.892 20 5 FFBDRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842474331 1030751130 /nfs/dbraw/zinc/75/11/30/1030751130.db2.gz NVKQSYULAPZNMB-CXAGYDPISA-N 2 0 364.421 2.527 20 5 FFBDRP Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)CNCCC[NH3+] ZINC001219211117 1033556080 /nfs/dbraw/zinc/55/60/80/1033556080.db2.gz WFKSWCOMZDQJRI-UHFFFAOYSA-N 3 0 365.481 2.639 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256085211 1038371311 /nfs/dbraw/zinc/37/13/11/1038371311.db2.gz LSIBMBZDGGGKCU-HNNXBMFYSA-N 2 0 362.474 2.504 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@@H]3CC[C@@H](C)C[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC001246111251 1039245192 /nfs/dbraw/zinc/24/51/92/1039245192.db2.gz IPBGZKHFIYZNTA-ZBFHGGJFSA-N 2 0 362.474 2.550 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3CN(Cc4cccnc4)C[C@H]3C1)C2 ZINC001254599385 1040830283 /nfs/dbraw/zinc/83/02/83/1040830283.db2.gz YNFPGGMGPPABAK-SVFBPWRDSA-N 2 0 364.449 2.521 20 5 FFBDRP COc1cc[nH+]c(N([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)c1 ZINC001254610555 1040840434 /nfs/dbraw/zinc/84/04/34/1040840434.db2.gz KXWHRSATCLBPEK-GOSISDBHSA-N 2 0 368.437 2.724 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+][C@@H](CO)CC3CC3)CC2)cc1 ZINC001462174265 1061529336 /nfs/dbraw/zinc/52/93/36/1061529336.db2.gz CMABGCSTYBUMHQ-LJQANCHMSA-N 2 0 361.486 2.600 20 5 FFBDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081631140 508199232 /nfs/dbraw/zinc/19/92/32/508199232.db2.gz XQIJFZQYUGZUNY-INIZCTEOSA-N 2 0 360.458 2.587 20 5 FFBDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000128252771 508568199 /nfs/dbraw/zinc/56/81/99/508568199.db2.gz HZGQSVCKEJWKHL-IBGZPJMESA-N 2 0 360.502 2.533 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153581555 508602529 /nfs/dbraw/zinc/60/25/29/508602529.db2.gz LTZXVXYXQGKPJV-JKSUJKDBSA-N 2 0 364.490 2.528 20 5 FFBDRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000158871914 508762344 /nfs/dbraw/zinc/76/23/44/508762344.db2.gz CIQYNACYRXVKCD-MOPGFXCFSA-N 2 0 361.486 2.598 20 5 FFBDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000249286378 509646901 /nfs/dbraw/zinc/64/69/01/509646901.db2.gz LREYSRGJQDMBAE-MNZLEMJZSA-N 2 0 357.458 2.538 20 5 FFBDRP C[C@H]1C[NH+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000170689576 509722976 /nfs/dbraw/zinc/72/29/76/509722976.db2.gz FEFIBMJWPXRDFQ-IRXDYDNUSA-N 2 0 361.486 2.959 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000268962969 510163512 /nfs/dbraw/zinc/16/35/12/510163512.db2.gz XTKZXXZCQCZLRP-OALUTQOASA-N 2 0 361.486 2.742 20 5 FFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269001131 510185555 /nfs/dbraw/zinc/18/55/55/510185555.db2.gz LMJBIDAPUXVMQS-CQSZACIVSA-N 2 0 360.458 2.918 20 5 FFBDRP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000271184713 511112209 /nfs/dbraw/zinc/11/22/09/511112209.db2.gz DLBLSYSSGNTKFR-UHFFFAOYSA-N 2 0 360.502 2.894 20 5 FFBDRP O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000397484430 512946727 /nfs/dbraw/zinc/94/67/27/512946727.db2.gz AJVBFDYSFFYBAP-UHFFFAOYSA-N 2 0 373.428 2.851 20 5 FFBDRP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422781922 513930532 /nfs/dbraw/zinc/93/05/32/513930532.db2.gz FPMKTPZPTLEKLP-XLIONFOSSA-N 2 0 353.422 2.983 20 5 FFBDRP COc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000422947968 513988036 /nfs/dbraw/zinc/98/80/36/513988036.db2.gz RHSOOZTZMNKITJ-JXFKEZNVSA-N 2 0 369.421 2.949 20 5 FFBDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000490063815 515087443 /nfs/dbraw/zinc/08/74/43/515087443.db2.gz YQFBXUBGOXAWEQ-UHFFFAOYSA-N 2 0 365.474 2.926 20 5 FFBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000569855793 518325832 /nfs/dbraw/zinc/32/58/32/518325832.db2.gz GOEQYQJNQOVHTR-UHFFFAOYSA-N 2 0 360.458 2.780 20 5 FFBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589196694 518946962 /nfs/dbraw/zinc/94/69/62/518946962.db2.gz UARMADJTFWQHRK-KRWDZBQOSA-N 2 0 352.454 2.582 20 5 FFBDRP Cn1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591282627 519574272 /nfs/dbraw/zinc/57/42/72/519574272.db2.gz IASHVDHQGBVYSH-INIZCTEOSA-N 2 0 355.442 2.760 20 5 FFBDRP C[NH+](C)CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000591742772 520019691 /nfs/dbraw/zinc/01/96/91/520019691.db2.gz DTIDRCMANPDTIC-INIZCTEOSA-N 2 0 350.463 2.879 20 5 FFBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492579 520417040 /nfs/dbraw/zinc/41/70/40/520417040.db2.gz AXYQFCXKWFQABD-OWCLPIDISA-N 2 0 360.458 2.633 20 5 FFBDRP C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CCC[NH3+] ZINC000595904218 520811873 /nfs/dbraw/zinc/81/18/73/520811873.db2.gz ATPCRGUKTPACFB-CZUORRHYSA-N 2 0 359.430 2.984 20 5 FFBDRP C[NH+](C)CCCC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611274250 521073225 /nfs/dbraw/zinc/07/32/25/521073225.db2.gz KXAFBJONZMRLGS-UHFFFAOYSA-N 2 0 363.458 2.920 20 5 FFBDRP O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000593727054 521178218 /nfs/dbraw/zinc/17/82/18/521178218.db2.gz BJCBWXLYATYPDF-UHFFFAOYSA-N 2 0 352.438 2.563 20 5 FFBDRP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000596655374 521192310 /nfs/dbraw/zinc/19/23/10/521192310.db2.gz WBVLZUBDPMRVMU-GOSISDBHSA-N 2 0 362.474 2.626 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000602561809 521412212 /nfs/dbraw/zinc/41/22/12/521412212.db2.gz GGOSALGLYLUMNG-UHFFFAOYSA-N 2 0 369.465 2.884 20 5 FFBDRP C[NH+](C)C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000866011552 731021357 /nfs/dbraw/zinc/02/13/57/731021357.db2.gz HDRYKNQPZWCUAH-ZIAGYGMSSA-N 2 0 356.417 2.708 20 5 FFBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000844903118 748132622 /nfs/dbraw/zinc/13/26/22/748132622.db2.gz SRMUBSFWYXBIAS-CKEIUWERSA-N 2 0 353.850 2.967 20 5 FFBDRP C[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000877496420 1014600468 /nfs/dbraw/zinc/60/04/68/1014600468.db2.gz SGUCWOKIOXIVLM-QLOJAFMTSA-N 2 0 369.469 2.997 20 5 FFBDRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000904392790 980263135 /nfs/dbraw/zinc/26/31/35/980263135.db2.gz ZWTOOIICMHVONT-CQSZACIVSA-N 2 0 371.384 2.526 20 5 FFBDRP Cc1nn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294534 985132827 /nfs/dbraw/zinc/13/28/27/985132827.db2.gz XHRHCXHTHDJAMR-INIZCTEOSA-N 2 0 357.458 2.874 20 5 FFBDRP C[NH+](C)CCOc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809734328 994584683 /nfs/dbraw/zinc/58/46/83/994584683.db2.gz AOKDFWYGOUTMIN-UHFFFAOYSA-N 2 0 358.442 2.501 20 5 FFBDRP [NH3+]Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 ZINC000844907554 998214305 /nfs/dbraw/zinc/21/43/05/998214305.db2.gz KOIJRORKOMQRKT-UHFFFAOYSA-N 2 0 358.417 2.951 20 5 FFBDRP Cn1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000903959476 1016332997 /nfs/dbraw/zinc/33/29/97/1016332997.db2.gz IQVZTBXVHQJGKG-HXUWFJFHSA-N 2 0 369.469 2.961 20 5 FFBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819275536 1008097819 /nfs/dbraw/zinc/09/78/19/1008097819.db2.gz WVMUDIRSGWFRGN-XLIONFOSSA-N 2 0 355.438 2.740 20 5 FFBDRP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1O ZINC001181125585 1009984680 /nfs/dbraw/zinc/98/46/80/1009984680.db2.gz QKDLKICVRWXMIO-UZLBHIALSA-N 2 0 361.486 2.552 20 5 FFBDRP C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C[NH+](C)C ZINC000866011373 1010906400 /nfs/dbraw/zinc/90/64/00/1010906400.db2.gz DNBFHVQEAMEGTI-CHWSQXEVSA-N 2 0 374.407 2.789 20 5 FFBDRP CCC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000925855111 1017876652 /nfs/dbraw/zinc/87/66/52/1017876652.db2.gz OISQEYFBBYSQHY-DLBZAZTESA-N 2 0 361.442 2.711 20 5 FFBDRP C[NH+](C)CCOc1cc(N[C@H]2C[NH2+]Cc3ccsc32)ccc1[N+](=O)[O-] ZINC001163229423 1028850025 /nfs/dbraw/zinc/85/00/25/1028850025.db2.gz IXKFMCXXDSHNJU-AWEZNQCLSA-N 2 0 362.455 2.853 20 5 FFBDRP [NH3+]CCc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000841032180 1029991736 /nfs/dbraw/zinc/99/17/36/1029991736.db2.gz OHCXRAFRODXXEB-UHFFFAOYSA-N 2 0 354.454 2.855 20 5 FFBDRP [NH3+]C[C@@]1(F)CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246551826 1039393013 /nfs/dbraw/zinc/39/30/13/1039393013.db2.gz RNBDLHGHBPKIRH-GOSISDBHSA-N 2 0 350.438 2.717 20 5 FFBDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001474603593 1065561207 /nfs/dbraw/zinc/56/12/07/1065561207.db2.gz RBJAHONZHLINER-TYKWCNGQSA-N 3 0 374.529 2.779 20 5 FFBDRP Cc1cc(NC2CCN(CC[NH+](C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302159750 258091565 /nfs/dbraw/zinc/09/15/65/258091565.db2.gz JOXUKHJWXZTNTO-UHFFFAOYSA-N 2 0 357.458 2.889 20 5 FFBDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072803518 507855516 /nfs/dbraw/zinc/85/55/16/507855516.db2.gz GBSYUKNNWJSSIG-INIZCTEOSA-N 2 0 362.474 2.896 20 5 FFBDRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000092381114 508066785 /nfs/dbraw/zinc/06/67/85/508066785.db2.gz YRJOIBVWCKCYFZ-UHFFFAOYSA-N 2 0 351.447 2.776 20 5 FFBDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081569868 508191626 /nfs/dbraw/zinc/19/16/26/508191626.db2.gz AXRHQBUURLCIJU-MRXNPFEDSA-N 2 0 362.474 2.896 20 5 FFBDRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192666028 509589239 /nfs/dbraw/zinc/58/92/39/509589239.db2.gz UVMXMDIULIDOBC-HXUWFJFHSA-N 2 0 360.502 2.980 20 5 FFBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186586931 509788344 /nfs/dbraw/zinc/78/83/44/509788344.db2.gz KHGUZKPBQCCCEC-NSHGMRRFSA-N 2 0 374.529 2.922 20 5 FFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269001129 510186095 /nfs/dbraw/zinc/18/60/95/510186095.db2.gz LMJBIDAPUXVMQS-AWEZNQCLSA-N 2 0 360.458 2.918 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178224287 510496535 /nfs/dbraw/zinc/49/65/35/510496535.db2.gz YKPQEDGBNNRRSS-OAHLLOKOSA-N 2 0 355.442 2.592 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285428160 510902785 /nfs/dbraw/zinc/90/27/85/510902785.db2.gz HHYJMMLNHYCFEF-FKEKPDDDSA-N 2 0 360.458 2.789 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285566306 510958781 /nfs/dbraw/zinc/95/87/81/510958781.db2.gz RYLBOOWCZPPJST-FKEKPDDDSA-N 2 0 360.458 2.789 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000271454072 511209811 /nfs/dbraw/zinc/20/98/11/511209811.db2.gz FAVGCHHYVXISQP-CEWLAPEOSA-N 2 0 373.497 2.883 20 5 FFBDRP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292212270 511507904 /nfs/dbraw/zinc/50/79/04/511507904.db2.gz UESHDRGNVAKQTG-FZKQIMNGSA-N 2 0 357.414 2.733 20 5 FFBDRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293785054 512083350 /nfs/dbraw/zinc/08/33/50/512083350.db2.gz QIUKUOPGVXAGGF-CQSZACIVSA-N 2 0 358.442 2.968 20 5 FFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884611 513357023 /nfs/dbraw/zinc/35/70/23/513357023.db2.gz PQDYQCDPPWWFMC-AWEZNQCLSA-N 2 0 360.458 2.776 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)o2)c1 ZINC000420386757 514122907 /nfs/dbraw/zinc/12/29/07/514122907.db2.gz VOSVCFBYWYZIES-IBGZPJMESA-N 2 0 356.426 2.868 20 5 FFBDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417318053 514292148 /nfs/dbraw/zinc/29/21/48/514292148.db2.gz XYVXAAZRPMGDPZ-FQEVSTJZSA-N 2 0 360.502 2.978 20 5 FFBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000449743892 514331418 /nfs/dbraw/zinc/33/14/18/514331418.db2.gz BXHLHKIDEOXFSP-UHFFFAOYSA-N 2 0 354.882 2.754 20 5 FFBDRP COc1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])cc1OC(F)F ZINC000572121529 519454898 /nfs/dbraw/zinc/45/48/98/519454898.db2.gz ZUKKLMJTUICGES-QGZVFWFLSA-N 2 0 371.384 2.780 20 5 FFBDRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000572226623 519506076 /nfs/dbraw/zinc/50/60/76/519506076.db2.gz WJUGMBMBYNPLAS-FQEVSTJZSA-N 2 0 360.502 2.980 20 5 FFBDRP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000594503819 520006536 /nfs/dbraw/zinc/00/65/36/520006536.db2.gz BRODSGLIPRUWSX-YLJYHZDGSA-N 2 0 367.449 2.939 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)OCCO2 ZINC000594736108 520124000 /nfs/dbraw/zinc/12/40/00/520124000.db2.gz PWXIAYJONSUZOB-OAHLLOKOSA-N 2 0 361.442 2.578 20 5 FFBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493521 520416107 /nfs/dbraw/zinc/41/61/07/520416107.db2.gz UBORCMQXIKAKSB-HOTGVXAUSA-N 2 0 360.458 2.553 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600762508 520455085 /nfs/dbraw/zinc/45/50/85/520455085.db2.gz CWWQJDGXXPSVLT-GOSISDBHSA-N 2 0 363.458 2.584 20 5 FFBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900785 520808589 /nfs/dbraw/zinc/80/85/89/520808589.db2.gz LFQWOIBPDUZOLK-GDBMZVCRSA-N 2 0 360.458 2.633 20 5 FFBDRP CCCC[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602536272 521400957 /nfs/dbraw/zinc/40/09/57/521400957.db2.gz SRHARUZKKCTGEI-UHFFFAOYSA-N 2 0 361.490 2.813 20 5 FFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000602824049 521553320 /nfs/dbraw/zinc/55/33/20/521553320.db2.gz LITNZQAQVKWTKF-GOSISDBHSA-N 2 0 371.485 2.990 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000872033407 731722616 /nfs/dbraw/zinc/72/26/16/731722616.db2.gz GRCLEUJSUHOTJM-UONOGXRCSA-N 2 0 352.504 2.603 20 5 FFBDRP COc1c(O)ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000892588361 734577493 /nfs/dbraw/zinc/57/74/93/734577493.db2.gz FLUBRLCEPOWHJF-UHFFFAOYSA-N 2 0 351.447 2.911 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870250 1008907256 /nfs/dbraw/zinc/90/72/56/1008907256.db2.gz UAXKTOJUHKUTOU-LJQANCHMSA-N 2 0 360.458 2.697 20 5 FFBDRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010466 1012178935 /nfs/dbraw/zinc/17/89/35/1012178935.db2.gz XAXIIKCHVBNXJA-AAEUAGOBSA-N 2 0 354.401 2.701 20 5 FFBDRP CC(C)([NH3+])C(C)(C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010416 1012179602 /nfs/dbraw/zinc/17/96/02/1012179602.db2.gz VDBFTIRESQVODZ-UHFFFAOYSA-N 2 0 356.417 2.947 20 5 FFBDRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000925886384 1017883127 /nfs/dbraw/zinc/88/31/27/1017883127.db2.gz FTGDBBYEBURQQS-MLYOOKFZSA-N 2 0 369.469 2.924 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843363261 1031356249 /nfs/dbraw/zinc/35/62/49/1031356249.db2.gz UVFASRNUZDALMQ-CZUORRHYSA-N 2 0 364.421 2.527 20 5 FFBDRP COc1cc(N2CCC([NH2+]CCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256083428 1038368335 /nfs/dbraw/zinc/36/83/35/1038368335.db2.gz UVYSVUOWOPCYPT-UHFFFAOYSA-N 2 0 362.474 2.648 20 5 FFBDRP [NH3+]C[C@H]1CCCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246583756 1039406464 /nfs/dbraw/zinc/40/64/64/1039406464.db2.gz RWCITXMNXPMZJL-CYBMUJFWSA-N 2 0 368.428 2.903 20 5 FFBDRP Nc1cc2nc3ccccc3nc2cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210269125 1039459472 /nfs/dbraw/zinc/45/94/72/1039459472.db2.gz NXTFUCYITMRUAR-UHFFFAOYSA-N 2 0 371.448 2.913 20 5 FFBDRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602509 1040833131 /nfs/dbraw/zinc/83/31/31/1040833131.db2.gz FZURHIMKULZOGR-OAQYLSRUSA-N 2 0 374.529 2.802 20 5 FFBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC001352760001 1055772226 /nfs/dbraw/zinc/77/22/26/1055772226.db2.gz IDWDROPODDXYGD-XHSDSOJGSA-N 2 0 357.458 2.873 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868553 250412408 /nfs/dbraw/zinc/41/24/08/250412408.db2.gz VQGYRCKXSDHYAE-UHFFFAOYSA-N 2 0 362.474 2.896 20 5 FFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278503135 256319595 /nfs/dbraw/zinc/31/95/95/256319595.db2.gz QRKIAPZCZJBRBO-CQSZACIVSA-N 2 0 360.458 2.776 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000153619952 508609669 /nfs/dbraw/zinc/60/96/69/508609669.db2.gz WCULJKIRRVOEFU-MRXNPFEDSA-N 2 0 364.490 2.672 20 5 FFBDRP C[NH+](C)C1CCN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000160163366 508947471 /nfs/dbraw/zinc/94/74/71/508947471.db2.gz LVCUCOYGYQIJSR-IBGZPJMESA-N 2 0 360.502 2.532 20 5 FFBDRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192828473 509662219 /nfs/dbraw/zinc/66/22/19/509662219.db2.gz HVDVBSMJPQCSPF-FQEVSTJZSA-N 2 0 360.502 2.835 20 5 FFBDRP CN1CC[NH+](CC2(C)CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000363882656 511829594 /nfs/dbraw/zinc/82/95/94/511829594.db2.gz BEISRWOIWHFDGE-FNORWQNLSA-N 2 0 372.513 2.958 20 5 FFBDRP Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000411475211 512653095 /nfs/dbraw/zinc/65/30/95/512653095.db2.gz NJHVQHPXABDNTJ-HNNXBMFYSA-N 2 0 362.474 2.543 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000367862068 512693986 /nfs/dbraw/zinc/69/39/86/512693986.db2.gz GAMFGJHQTPRDTC-QGZVFWFLSA-N 2 0 370.409 2.780 20 5 FFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000370131672 512783179 /nfs/dbraw/zinc/78/31/79/512783179.db2.gz LANIQWLLXSTZHN-MXWWQKGMSA-N 2 0 360.458 2.918 20 5 FFBDRP Cn1ccnc1[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421367276 513238613 /nfs/dbraw/zinc/23/86/13/513238613.db2.gz DKIIBXXTBLCPDO-LEOMRAHMSA-N 2 0 357.458 2.880 20 5 FFBDRP Cn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435378667 513570403 /nfs/dbraw/zinc/57/04/03/513570403.db2.gz FRHCIZBEVHGMQE-IBGZPJMESA-N 2 0 369.469 2.959 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000449160997 514098354 /nfs/dbraw/zinc/09/83/54/514098354.db2.gz DAERGSDXZAVCST-UWJYYQICSA-N 2 0 369.465 2.752 20 5 FFBDRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417320171 514294035 /nfs/dbraw/zinc/29/40/35/514294035.db2.gz JEUWEEFEAJKDRH-FQEVSTJZSA-N 2 0 360.502 2.978 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415130632 514459159 /nfs/dbraw/zinc/45/91/59/514459159.db2.gz XMAIGQJVSPGSNQ-LPHOPBHVSA-N 2 0 363.458 2.712 20 5 FFBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CC[NH+](CCO)CC1 ZINC000504921594 515409409 /nfs/dbraw/zinc/40/94/09/515409409.db2.gz UPEYSTBOQMWQPE-MRXNPFEDSA-N 2 0 367.515 2.759 20 5 FFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000589194468 518946846 /nfs/dbraw/zinc/94/68/46/518946846.db2.gz YXFOSTTWQFTECZ-JXAWBTAJSA-N 2 0 372.513 2.958 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493945 520416258 /nfs/dbraw/zinc/41/62/58/520416258.db2.gz WWLSEFSGXPFWDB-DLBZAZTESA-N 2 0 374.485 2.943 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505872 520517675 /nfs/dbraw/zinc/51/76/75/520517675.db2.gz ZQWBRMRLMOWWPA-LJQANCHMSA-N 2 0 360.458 2.650 20 5 FFBDRP COc1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000595900401 520805896 /nfs/dbraw/zinc/80/58/96/520805896.db2.gz FGSKGPMQBKOCQJ-INIZCTEOSA-N 2 0 363.458 2.694 20 5 FFBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593315999 520903101 /nfs/dbraw/zinc/90/31/01/520903101.db2.gz OKTRDCMNEGDRMU-CKEIUWERSA-N 2 0 353.850 2.967 20 5 FFBDRP CC[NH+](CC)CC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611254625 521060953 /nfs/dbraw/zinc/06/09/53/521060953.db2.gz QMJCOMCBNSQLFC-UHFFFAOYSA-N 2 0 363.458 2.920 20 5 FFBDRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000602600337 521432591 /nfs/dbraw/zinc/43/25/91/521432591.db2.gz IDIOEEMIPTWDBP-UHFFFAOYSA-N 2 0 355.866 2.616 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873292768 1013465463 /nfs/dbraw/zinc/46/54/63/1013465463.db2.gz VWYVCEUXWQXNII-ZWKOTPCHSA-N 2 0 359.470 2.664 20 5 FFBDRP C[N@@H+]1CCc2c(-n3cc(CC[NH3+])c4cc(O)ccc43)ccc([N+](=O)[O-])c2C1 ZINC001167988445 966081129 /nfs/dbraw/zinc/08/11/29/966081129.db2.gz YCMXDHFQWBMKAY-UHFFFAOYSA-N 2 0 366.421 2.733 20 5 FFBDRP [NH3+]CCC[C@H]([NH3+])Nc1cnc(Cl)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC001170897276 1007896222 /nfs/dbraw/zinc/89/62/22/1007896222.db2.gz LIGRFFLAOPKBSC-GFCCVEGCSA-N 2 0 368.850 2.625 20 5 FFBDRP C[C@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1O ZINC001181125570 1009985471 /nfs/dbraw/zinc/98/54/71/1009985471.db2.gz QKDLKICVRWXMIO-OXJNMPFZSA-N 2 0 361.486 2.552 20 5 FFBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000866307114 1010974133 /nfs/dbraw/zinc/97/41/33/1010974133.db2.gz QYWXHECUQMJJTC-XVGQJIODSA-N 2 0 365.449 2.632 20 5 FFBDRP CC[NH+](CC)CCN1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172908416 1012081293 /nfs/dbraw/zinc/08/12/93/1012081293.db2.gz MNGQIQFYLVHRKF-HXUWFJFHSA-N 2 0 374.529 2.802 20 5 FFBDRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173012374 1012184369 /nfs/dbraw/zinc/18/43/69/1012184369.db2.gz RNNFSJQURIHOGC-ZDUSSCGKSA-N 2 0 368.428 2.773 20 5 FFBDRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000925811338 1017857313 /nfs/dbraw/zinc/85/73/13/1017857313.db2.gz ZYWIJOBSGWOFEE-INIZCTEOSA-N 2 0 354.454 2.851 20 5 FFBDRP COc1cc(CN2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000931431307 1020462198 /nfs/dbraw/zinc/46/21/98/1020462198.db2.gz KPDCNXQBZVNPEP-WCQYABFASA-N 2 0 371.384 2.588 20 5 FFBDRP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)(c2ccccc2)CC1 ZINC001120580523 1023370184 /nfs/dbraw/zinc/37/01/84/1023370184.db2.gz BREKDDMTPCBINP-HXUWFJFHSA-N 2 0 369.465 2.881 20 5 FFBDRP C[NH+]1CCC(N(c2nccc3ccc([N+](=O)[O-])cc32)C2CC[NH2+]CC2)CC1 ZINC001158588884 1027070864 /nfs/dbraw/zinc/07/08/64/1027070864.db2.gz IREBIFVMXKOMJJ-UHFFFAOYSA-N 2 0 369.469 2.796 20 5 FFBDRP CSc1nc(Cl)c([N+](=O)[O-])c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160944489 1027934414 /nfs/dbraw/zinc/93/44/14/1027934414.db2.gz NFZCXSOBMYGZHB-UHFFFAOYSA-N 2 0 364.818 2.600 20 5 FFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841031912 1029990674 /nfs/dbraw/zinc/99/06/74/1029990674.db2.gz BHJGUKQNNDLGDM-CQSZACIVSA-N 2 0 356.426 2.603 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001204790607 1031441749 /nfs/dbraw/zinc/44/17/49/1031441749.db2.gz OEJHRMIPYLKKFU-OAQYLSRUSA-N 2 0 373.497 2.962 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3CCCC[C@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246593811 1039409212 /nfs/dbraw/zinc/40/92/12/1039409212.db2.gz NZQJDGWOWFCWTK-OAHLLOKOSA-N 2 0 362.474 2.633 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C1)CC2 ZINC001246658073 1039430194 /nfs/dbraw/zinc/43/01/94/1039430194.db2.gz TWNSOUIXOLSGLV-ZOBUZTSGSA-N 2 0 369.387 2.926 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC001254586938 1040818613 /nfs/dbraw/zinc/81/86/13/1040818613.db2.gz UBDPKRDZAPMEOX-HXUWFJFHSA-N 2 0 366.465 2.959 20 5 FFBDRP Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302512899 258104937 /nfs/dbraw/zinc/10/49/37/258104937.db2.gz TZMZQNRNCAMXAU-CQSZACIVSA-N 2 0 358.442 2.733 20 5 FFBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CCC[NH+](C)C)CC1 ZINC000123159431 508645169 /nfs/dbraw/zinc/64/51/69/508645169.db2.gz FGHIJJLETKHZJE-OAHLLOKOSA-N 2 0 362.474 2.976 20 5 FFBDRP CC[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000155337078 508979916 /nfs/dbraw/zinc/97/99/16/508979916.db2.gz QWEWMYGCHQCPPJ-ZWKOTPCHSA-N 2 0 362.474 2.578 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000274839751 511960063 /nfs/dbraw/zinc/96/00/63/511960063.db2.gz LTVBUGPOCDQLMQ-LPHOPBHVSA-N 2 0 365.474 2.700 20 5 FFBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000374426293 512828213 /nfs/dbraw/zinc/82/82/13/512828213.db2.gz DCFVKCCDCGNGLO-INMHGKMJSA-N 2 0 353.850 2.932 20 5 FFBDRP Cn1ccnc1[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423426006 514139963 /nfs/dbraw/zinc/13/99/63/514139963.db2.gz OSBFRNIOAKUNNA-IIDMSEBBSA-N 2 0 357.458 2.772 20 5 FFBDRP Cc1c(NC(=O)CC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000424301147 514450001 /nfs/dbraw/zinc/45/00/01/514450001.db2.gz XFBNDNILJVYXII-CQSZACIVSA-N 2 0 360.458 2.696 20 5 FFBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169872 516158292 /nfs/dbraw/zinc/15/82/92/516158292.db2.gz LFPLDUYDOIDYMO-XMJIKXADSA-N 2 0 358.486 2.710 20 5 FFBDRP CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532538421 517024234 /nfs/dbraw/zinc/02/42/34/517024234.db2.gz VHWXODBOOBOQNI-OAHLLOKOSA-N 2 0 362.474 2.974 20 5 FFBDRP COc1cccc([N+](=O)[O-])c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000566478226 519513288 /nfs/dbraw/zinc/51/32/88/519513288.db2.gz MAQHDNJXQRKFNW-UHFFFAOYSA-N 2 0 371.441 2.623 20 5 FFBDRP C[N@H+](CCOCC[NH3+])Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000600776265 520463246 /nfs/dbraw/zinc/46/32/46/520463246.db2.gz QQITYNKVTKQQSM-UHFFFAOYSA-N 2 0 363.389 2.933 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900608 520806228 /nfs/dbraw/zinc/80/62/28/520806228.db2.gz IEADAWXVCBULGL-KRWDZBQOSA-N 2 0 374.485 2.943 20 5 FFBDRP Cc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596565979 521133239 /nfs/dbraw/zinc/13/32/39/521133239.db2.gz JQVGTXDJTMGMLG-INIZCTEOSA-N 2 0 358.442 2.998 20 5 FFBDRP Cc1ccncc1N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000619623773 521800652 /nfs/dbraw/zinc/80/06/52/521800652.db2.gz GZYVEHBBLRPUAY-UHFFFAOYSA-N 2 0 356.426 2.889 20 5 FFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872024234 731721784 /nfs/dbraw/zinc/72/17/84/731721784.db2.gz ZHPGOSOQKOKPRP-LSDHHAIUSA-N 2 0 366.531 2.993 20 5 FFBDRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033167 731722572 /nfs/dbraw/zinc/72/25/72/731722572.db2.gz GBCFAITUKKPVFG-AWEZNQCLSA-N 2 0 352.454 2.658 20 5 FFBDRP O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843125998 747777346 /nfs/dbraw/zinc/77/73/46/747777346.db2.gz DKQYOZLENFFNDU-UHFFFAOYSA-N 2 0 354.248 2.933 20 5 FFBDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000877684152 1014676140 /nfs/dbraw/zinc/67/61/40/1014676140.db2.gz IVORCTYFMJPQAT-UHFFFAOYSA-N 2 0 361.442 2.769 20 5 FFBDRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000922390384 988545047 /nfs/dbraw/zinc/54/50/47/988545047.db2.gz ZDTFRCAAAHSGFQ-GPBTULNPSA-N 2 0 359.470 2.677 20 5 FFBDRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850482048 1005818068 /nfs/dbraw/zinc/81/80/68/1005818068.db2.gz DCFVQANHLKFFNN-AWEZNQCLSA-N 2 0 362.474 2.719 20 5 FFBDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000887132837 1009044797 /nfs/dbraw/zinc/04/47/97/1009044797.db2.gz OJEVFCLYYIPRDR-OAHLLOKOSA-N 2 0 369.425 2.529 20 5 FFBDRP C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000866012535 1010906909 /nfs/dbraw/zinc/90/69/09/1010906909.db2.gz GSPRGXOMXGSXBF-CHWSQXEVSA-N 2 0 374.407 2.789 20 5 FFBDRP C[C@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1n1ccnc1 ZINC000121676929 1011068714 /nfs/dbraw/zinc/06/87/14/1011068714.db2.gz OOZXQPLWAAWOJO-YOEHRIQHSA-N 2 0 367.413 2.590 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CC[NH+](C3COC3)CC1)CC2 ZINC001172908789 1012081635 /nfs/dbraw/zinc/08/16/35/1012081635.db2.gz YZQBDIUYBRVUFD-SFHVURJKSA-N 2 0 359.470 2.543 20 5 FFBDRP C[NH+](C)CCC[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014626 1012187223 /nfs/dbraw/zinc/18/72/23/1012187223.db2.gz VFGSGESPVVMKFH-UHFFFAOYSA-N 2 0 356.417 2.725 20 5 FFBDRP [NH3+]CCCC[NH2+]CCCNc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001162294457 1028494975 /nfs/dbraw/zinc/49/49/75/1028494975.db2.gz JHZZKDRWPNMMIG-UHFFFAOYSA-N 2 0 351.838 2.927 20 5 FFBDRP C[NH+]1CCC(C[NH+]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC001157842157 1029674252 /nfs/dbraw/zinc/67/42/52/1029674252.db2.gz NPOLUXHNSXVFJQ-UHFFFAOYSA-N 2 0 369.469 2.607 20 5 FFBDRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842474333 1030750430 /nfs/dbraw/zinc/75/04/30/1030750430.db2.gz NVKQSYULAPZNMB-GUYCJALGSA-N 2 0 364.421 2.527 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001204790606 1031441377 /nfs/dbraw/zinc/44/13/77/1031441377.db2.gz OEJHRMIPYLKKFU-NRFANRHFSA-N 2 0 373.497 2.962 20 5 FFBDRP COc1cc(N2CCC([NH2+]C(C)(C)C(C)(C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256103667 1038387328 /nfs/dbraw/zinc/38/73/28/1038387328.db2.gz XJRILUIGZCSVAS-UHFFFAOYSA-N 2 0 350.463 2.678 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC[C@H]2C)c1F ZINC001246115571 1039246208 /nfs/dbraw/zinc/24/62/08/1039246208.db2.gz ZZUDEFSJUKLXGR-RDBSUJKOSA-N 2 0 353.438 2.899 20 5 FFBDRP CC[C@@]1(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCC[NH2+]1 ZINC001246455812 1039362221 /nfs/dbraw/zinc/36/22/21/1039362221.db2.gz KERMTGOSXIDNEN-SFHVURJKSA-N 2 0 368.428 2.964 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3CCC[C@@](C)([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001246548282 1039392498 /nfs/dbraw/zinc/39/24/98/1039392498.db2.gz FKNDLWGOFUHTKD-LJQANCHMSA-N 2 0 362.474 2.776 20 5 FFBDRP C[N@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)CC1(CO)CC1 ZINC001560769222 1076298242 /nfs/dbraw/zinc/29/82/42/1076298242.db2.gz VBLWRGWLTXYNSP-UHFFFAOYSA-N 2 0 361.486 2.554 20 5 FFBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279139857 256386215 /nfs/dbraw/zinc/38/62/15/256386215.db2.gz RUWGNTQPUYSACH-HNAYVOBHSA-N 2 0 360.502 2.933 20 5 FFBDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081570823 508191458 /nfs/dbraw/zinc/19/14/58/508191458.db2.gz PTCDCWXPRKVSCW-INIZCTEOSA-N 2 0 362.474 2.896 20 5 FFBDRP C[NH+](C)CC[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000116396830 508507532 /nfs/dbraw/zinc/50/75/32/508507532.db2.gz FRIIVFNHBFOMMO-IAGOWNOFSA-N 2 0 362.474 2.656 20 5 FFBDRP C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@@H]21 ZINC000158661904 508736202 /nfs/dbraw/zinc/73/62/02/508736202.db2.gz SDFZJKDHEZVBTR-ZBFHGGJFSA-N 2 0 357.414 2.561 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159165013 508801972 /nfs/dbraw/zinc/80/19/72/508801972.db2.gz WKSHBCDVIIPHOZ-MRXNPFEDSA-N 2 0 369.469 2.901 20 5 FFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245436445 509934073 /nfs/dbraw/zinc/93/40/73/509934073.db2.gz QZEDUSYWWSDMSM-YJBOKZPZSA-N 2 0 362.474 2.894 20 5 FFBDRP O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000378302590 512685736 /nfs/dbraw/zinc/68/57/36/512685736.db2.gz ZYDYRSDNLBTKPZ-UHFFFAOYSA-N 2 0 369.469 2.779 20 5 FFBDRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000442928602 513817513 /nfs/dbraw/zinc/81/75/13/513817513.db2.gz QCPRWDSVMUXROZ-NSHDSACASA-N 2 0 359.373 2.766 20 5 FFBDRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414990566 514390423 /nfs/dbraw/zinc/39/04/23/514390423.db2.gz ABNZPRXIDGJPDN-YPMHNXCESA-N 2 0 373.400 2.854 20 5 FFBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415044051 514413952 /nfs/dbraw/zinc/41/39/52/514413952.db2.gz ADCLVIBZQRTXLY-IVMQYODDSA-N 2 0 360.502 2.722 20 5 FFBDRP NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133804 514460281 /nfs/dbraw/zinc/46/02/81/514460281.db2.gz NQXMYVMFVHNSMO-UHFFFAOYSA-N 2 0 354.454 2.678 20 5 FFBDRP Cc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cn2ccnc12 ZINC000502825985 514795385 /nfs/dbraw/zinc/79/53/85/514795385.db2.gz BFWNQTKYRWFBAI-UHFFFAOYSA-N 2 0 362.349 2.989 20 5 FFBDRP CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532538420 517023638 /nfs/dbraw/zinc/02/36/38/517023638.db2.gz VHWXODBOOBOQNI-HNNXBMFYSA-N 2 0 362.474 2.974 20 5 FFBDRP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000520666558 517472992 /nfs/dbraw/zinc/47/29/92/517472992.db2.gz FBVXGWHFWSYLHE-UHFFFAOYSA-N 2 0 369.487 2.529 20 5 FFBDRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566229731 519381233 /nfs/dbraw/zinc/38/12/33/519381233.db2.gz MLIHAHPWISUXSB-DLBZAZTESA-N 2 0 369.469 2.817 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493033 520416773 /nfs/dbraw/zinc/41/67/73/520416773.db2.gz MUNIEVNUEFMLNL-BZUAXINKSA-N 2 0 360.458 2.633 20 5 FFBDRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595900915 520808797 /nfs/dbraw/zinc/80/87/97/520808797.db2.gz OXSPACROBVVOFQ-MRXNPFEDSA-N 2 0 360.458 2.635 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000872063841 731725691 /nfs/dbraw/zinc/72/56/91/731725691.db2.gz UEEQQZBHFAFHBF-HUUCEWRRSA-N 2 0 366.531 2.993 20 5 FFBDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892937288 734625896 /nfs/dbraw/zinc/62/58/96/734625896.db2.gz DFDRSUJXATYGBO-UHFFFAOYSA-N 2 0 354.882 2.611 20 5 FFBDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000892948055 734627601 /nfs/dbraw/zinc/62/76/01/734627601.db2.gz LRKWIXSRKKQXFW-HNNXBMFYSA-N 2 0 352.866 2.506 20 5 FFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000751230806 735855489 /nfs/dbraw/zinc/85/54/89/735855489.db2.gz UFZHDBDPOPWIEA-UHFFFAOYSA-N 2 0 365.503 2.914 20 5 FFBDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641356 739267388 /nfs/dbraw/zinc/26/73/88/739267388.db2.gz DOELGMMWRJHFPS-QLFBSQMISA-N 2 0 350.463 2.717 20 5 FFBDRP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000841088086 747266481 /nfs/dbraw/zinc/26/64/81/747266481.db2.gz WKCVHIHPFUBXCS-UHFFFAOYSA-N 2 0 352.866 2.554 20 5 FFBDRP O=C(CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134942917 960550781 /nfs/dbraw/zinc/55/07/81/960550781.db2.gz GEZRZMHTPNXOPD-QAPCUYQASA-N 2 0 372.469 2.872 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCC[C@@H](O)CC3)CC2)cc1 ZINC001206042657 1032121449 /nfs/dbraw/zinc/12/14/49/1032121449.db2.gz ZGURVKCHWVCKTK-HXUWFJFHSA-N 2 0 361.486 2.696 20 5 FFBDRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571425 1006704261 /nfs/dbraw/zinc/70/42/61/1006704261.db2.gz DJAZVZKWJRKSQF-AWEZNQCLSA-N 2 0 358.442 2.968 20 5 FFBDRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246115648 1039245656 /nfs/dbraw/zinc/24/56/56/1039245656.db2.gz ZNEZJIXQJOJVDD-STQMWFEESA-N 2 0 368.428 2.820 20 5 FFBDRP [NH3+]C[C@]1(F)CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246551827 1039392353 /nfs/dbraw/zinc/39/23/53/1039392353.db2.gz RNBDLHGHBPKIRH-SFHVURJKSA-N 2 0 350.438 2.717 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001343916843 1052487381 /nfs/dbraw/zinc/48/73/81/1052487381.db2.gz OXNRIVRTRXXLAR-OAHLLOKOSA-N 2 0 369.469 2.780 20 5 FFBDRP CN(C)CC(C)(C)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308805508 1052501793 /nfs/dbraw/zinc/50/17/93/1052501793.db2.gz BDOHPGGFOWMNIZ-UHFFFAOYSA-N 2 0 362.518 2.779 20 5 FFBDRP C[N@@H+]1C[C@]23C[NH+](CCC(=O)Nc4ccccc4[N+](=O)[O-])C[C@@]2(C1)CCCC3 ZINC001473902287 1065412972 /nfs/dbraw/zinc/41/29/72/1065412972.db2.gz SDOCXJRBWCMDSU-BGYRXZFFSA-N 2 0 372.469 2.731 20 5 FFBDRP Cc1nocc1C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001474544502 1065545991 /nfs/dbraw/zinc/54/59/91/1065545991.db2.gz PQOHEHKSXQXYGY-UHFFFAOYSA-N 2 0 358.442 2.936 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]CCC3(O)CCC3)CC2)cc1 ZINC001560817129 1076301345 /nfs/dbraw/zinc/30/13/45/1076301345.db2.gz PGUGTAQWGUPSNB-UHFFFAOYSA-N 2 0 361.486 2.744 20 5 FFBDRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057847530 507341716 /nfs/dbraw/zinc/34/17/16/507341716.db2.gz NRUZIBHYJVDPAK-UHFFFAOYSA-N 2 0 362.474 2.977 20 5 FFBDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072823446 507858102 /nfs/dbraw/zinc/85/81/02/507858102.db2.gz NEHAWUGAJCMTQL-MRXNPFEDSA-N 2 0 362.474 2.896 20 5 FFBDRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245439945 509935207 /nfs/dbraw/zinc/93/52/07/509935207.db2.gz UAPKAZZVTKUAJJ-WFASDCNBSA-N 2 0 368.865 2.849 20 5 FFBDRP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245711214 510100437 /nfs/dbraw/zinc/10/04/37/510100437.db2.gz STPCRHRMIOFILM-RHSMWYFYSA-N 2 0 357.414 2.703 20 5 FFBDRP Cc1c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000270961431 511037887 /nfs/dbraw/zinc/03/78/87/511037887.db2.gz VDMIMFXWWIGXSR-UHFFFAOYSA-N 2 0 360.502 2.894 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368294244 512888335 /nfs/dbraw/zinc/88/83/35/512888335.db2.gz PIZRNWGDIDOJBA-UHFFFAOYSA-N 2 0 360.502 2.753 20 5 FFBDRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448592652 513797192 /nfs/dbraw/zinc/79/71/92/513797192.db2.gz QYIASAICGXGGBL-HNNXBMFYSA-N 2 0 371.441 2.775 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422742836 513918845 /nfs/dbraw/zinc/91/88/45/513918845.db2.gz QTLOKWPQDDOBQF-AZUAARDMSA-N 2 0 353.422 2.983 20 5 FFBDRP CCc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423179120 514070812 /nfs/dbraw/zinc/07/08/12/514070812.db2.gz HBFNJOLNFBFDPF-HXUWFJFHSA-N 2 0 372.469 2.725 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000449232996 514125686 /nfs/dbraw/zinc/12/56/86/514125686.db2.gz JXTUZQNEBJLXNN-OXJNMPFZSA-N 2 0 369.465 2.882 20 5 FFBDRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417300242 514282472 /nfs/dbraw/zinc/28/24/72/514282472.db2.gz ACJRQTGEETXVIU-APWZRJJASA-N 2 0 374.485 2.539 20 5 FFBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCN2CC[NH2+]CC2)s1 ZINC000414786613 514294096 /nfs/dbraw/zinc/29/40/96/514294096.db2.gz XJOAGWKAENGNHP-UHFFFAOYSA-N 2 0 360.483 2.708 20 5 FFBDRP COCC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]CC1 ZINC000414965926 514379049 /nfs/dbraw/zinc/37/90/49/514379049.db2.gz BBDVBNVDMOVSQR-UHFFFAOYSA-N 2 0 359.426 2.961 20 5 FFBDRP NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415140314 514464833 /nfs/dbraw/zinc/46/48/33/514464833.db2.gz YQLAKRHPWZFMEU-UHFFFAOYSA-N 2 0 354.454 2.678 20 5 FFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000468740934 515498361 /nfs/dbraw/zinc/49/83/61/515498361.db2.gz VERKGYDSJZPMPG-DPEYORQISA-N 2 0 359.470 2.966 20 5 FFBDRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169870 516159397 /nfs/dbraw/zinc/15/93/97/516159397.db2.gz LFPLDUYDOIDYMO-NXNYUAIASA-N 2 0 358.486 2.710 20 5 FFBDRP CN(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000572732060 518335924 /nfs/dbraw/zinc/33/59/24/518335924.db2.gz PJVAZPMSLYGULX-QZTJIDSGSA-N 2 0 357.458 2.997 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479448 520407367 /nfs/dbraw/zinc/40/73/67/520407367.db2.gz ZQFOKSJASCDSOH-DOTOQJQBSA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592493962 520416046 /nfs/dbraw/zinc/41/60/46/520416046.db2.gz XYYBOBQYTZPRSZ-BBWFWOEESA-N 2 0 374.485 2.942 20 5 FFBDRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595900376 520805942 /nfs/dbraw/zinc/80/59/42/520805942.db2.gz DPQXWRUQCPGWMU-INIZCTEOSA-N 2 0 360.458 2.635 20 5 FFBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000593735958 521181979 /nfs/dbraw/zinc/18/19/79/521181979.db2.gz AYJYDPNHUMBGQB-FRFSOERESA-N 2 0 353.850 2.967 20 5 FFBDRP Cc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000866012565 731021301 /nfs/dbraw/zinc/02/13/01/731021301.db2.gz IPIYYRGDSQCOIS-ZIAGYGMSSA-N 2 0 354.882 2.732 20 5 FFBDRP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000906517753 980674898 /nfs/dbraw/zinc/67/48/98/980674898.db2.gz OVWWYPKKBOIACK-WKILWMFISA-N 2 0 357.410 2.762 20 5 FFBDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000130504821 987370201 /nfs/dbraw/zinc/37/02/01/987370201.db2.gz OOERUPSOCYESIJ-IBGZPJMESA-N 2 0 369.469 2.983 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000811500656 995169419 /nfs/dbraw/zinc/16/94/19/995169419.db2.gz JWHMPEHEIHGGEL-UHFFFAOYSA-N 2 0 361.442 2.689 20 5 FFBDRP CCN1CCC([N@@H+]2CCCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000817285762 1007507755 /nfs/dbraw/zinc/50/77/55/1007507755.db2.gz NQKWTQZAOLRYMR-UHFFFAOYSA-N 2 0 364.465 2.726 20 5 FFBDRP C[C@H](O)C[N@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001206489655 1032309908 /nfs/dbraw/zinc/30/99/08/1032309908.db2.gz FEYXJGFKQAVMJB-INIZCTEOSA-N 2 0 361.486 2.695 20 5 FFBDRP Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130429085 1009336131 /nfs/dbraw/zinc/33/61/31/1009336131.db2.gz OHLNCPKOWRMSST-UHFFFAOYSA-N 2 0 359.430 2.759 20 5 FFBDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910828 1012122556 /nfs/dbraw/zinc/12/25/56/1012122556.db2.gz OPAPHFQLCGMYNC-HLAWJBBLSA-N 2 0 372.513 2.552 20 5 FFBDRP CC1(C)C[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000925848465 1017870543 /nfs/dbraw/zinc/87/05/43/1017870543.db2.gz BCNURZBUILWHKW-RHSMWYFYSA-N 2 0 373.453 2.592 20 5 FFBDRP C[NH+](C)CCOc1cc(N2C[C@@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001162853357 1028679211 /nfs/dbraw/zinc/67/92/11/1028679211.db2.gz IHKZQIKYPTZPRO-HNNXBMFYSA-N 2 0 356.426 2.557 20 5 FFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421754 1029825794 /nfs/dbraw/zinc/82/57/94/1029825794.db2.gz FSUOAGVAJXLZKI-FKBYEOEOSA-N 2 0 359.473 2.826 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000842472346 1030748031 /nfs/dbraw/zinc/74/80/31/1030748031.db2.gz XCNXSHUMMZCMSC-CYBMUJFWSA-N 2 0 372.391 2.735 20 5 FFBDRP COc1cc(N2CCC([NH2+]Cc3ccccc3C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256101123 1038385388 /nfs/dbraw/zinc/38/53/88/1038385388.db2.gz MXRWJZIAHIIIJP-UHFFFAOYSA-N 2 0 370.453 2.821 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@@H]3CC[C@H](C)[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001246089732 1039242251 /nfs/dbraw/zinc/24/22/51/1039242251.db2.gz DIVWEWKGTGZEFU-LSDHHAIUSA-N 2 0 362.474 2.550 20 5 FFBDRP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246101508 1039243171 /nfs/dbraw/zinc/24/31/71/1039243171.db2.gz QLGIUARELODMHK-OLZOCXBDSA-N 2 0 368.428 2.677 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC001246561247 1039399809 /nfs/dbraw/zinc/39/98/09/1039399809.db2.gz JPOMULALJUZDSG-RDBSUJKOSA-N 2 0 353.438 2.980 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCOC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246633198 1039422713 /nfs/dbraw/zinc/42/27/13/1039422713.db2.gz FBRQXYUKSPNGEI-AZUAARDMSA-N 2 0 359.470 2.544 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(COCC[NH+]3CCCC3)CC1)C2 ZINC001254601028 1040833044 /nfs/dbraw/zinc/83/30/44/1040833044.db2.gz XJMZHQQOZJDXGZ-OAQYLSRUSA-N 2 0 373.497 2.886 20 5 FFBDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279209502 256393075 /nfs/dbraw/zinc/39/30/75/256393075.db2.gz YBKAHLNTUQKKIM-LJQANCHMSA-N 2 0 360.502 2.934 20 5 FFBDRP CC[NH+]1CCN([C@@H](C)CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000302162903 258092335 /nfs/dbraw/zinc/09/23/35/258092335.db2.gz KHNBNTZIMHCONN-HNNXBMFYSA-N 2 0 357.458 2.889 20 5 FFBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000373173113 512204901 /nfs/dbraw/zinc/20/49/01/512204901.db2.gz MKZALQJPANREPS-UZLBHIALSA-N 2 0 358.486 2.730 20 5 FFBDRP C[NH+](C)CC[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000116396838 508507690 /nfs/dbraw/zinc/50/76/90/508507690.db2.gz FRIIVFNHBFOMMO-DLBZAZTESA-N 2 0 362.474 2.656 20 5 FFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000155573443 509030055 /nfs/dbraw/zinc/03/00/55/509030055.db2.gz PADGXTXDQNEGQA-VQIMIIECSA-N 2 0 360.502 2.532 20 5 FFBDRP CC(C)[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000192648098 509581886 /nfs/dbraw/zinc/58/18/86/509581886.db2.gz HNBCFBYCLBTZPZ-UXHICEINSA-N 2 0 360.502 2.834 20 5 FFBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000271135021 511093501 /nfs/dbraw/zinc/09/35/01/511093501.db2.gz MSXQGCZLWXDQID-HOTGVXAUSA-N 2 0 366.531 2.691 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420387715 514123090 /nfs/dbraw/zinc/12/30/90/514123090.db2.gz GMQCYCBYGGHIRL-MAUKXSAKSA-N 2 0 360.458 2.696 20 5 FFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417319289 514293504 /nfs/dbraw/zinc/29/35/04/514293504.db2.gz HMDIQTIKAOSCNW-UZLBHIALSA-N 2 0 360.502 2.978 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000567990264 518820025 /nfs/dbraw/zinc/82/00/25/518820025.db2.gz OSYNFZWQNIIDKP-IYBDPMFKSA-N 2 0 356.426 2.724 20 5 FFBDRP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591282628 519573326 /nfs/dbraw/zinc/57/33/26/519573326.db2.gz IASHVDHQGBVYSH-MRXNPFEDSA-N 2 0 355.442 2.760 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000595023344 520259912 /nfs/dbraw/zinc/25/99/12/520259912.db2.gz VZVWJHHNSDJOPR-DOPJRALCSA-N 2 0 363.458 2.632 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600729386 520428386 /nfs/dbraw/zinc/42/83/86/520428386.db2.gz YLLWWWFHWFOAGT-OCCSQVGLSA-N 2 0 361.364 2.953 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901565 520808676 /nfs/dbraw/zinc/80/86/76/520808676.db2.gz YCFUHQMLAHWIKP-KRWDZBQOSA-N 2 0 374.485 2.943 20 5 FFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000593321579 520908188 /nfs/dbraw/zinc/90/81/88/520908188.db2.gz ZZZYOHVOTUUQMK-GFCCVEGCSA-N 2 0 360.389 2.700 20 5 FFBDRP Cn1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])n1 ZINC000602482943 521371457 /nfs/dbraw/zinc/37/14/57/521371457.db2.gz HMZCSBWIWMDWTO-UHFFFAOYSA-N 2 0 369.469 2.816 20 5 FFBDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602513226 521388518 /nfs/dbraw/zinc/38/85/18/521388518.db2.gz AUBRRIIWPDPMGK-CYBMUJFWSA-N 2 0 374.407 2.729 20 5 FFBDRP C[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000602538952 521399989 /nfs/dbraw/zinc/39/99/89/521399989.db2.gz GBYCVGSYUPFOHL-CYBMUJFWSA-N 2 0 374.407 2.587 20 5 FFBDRP CC[N@H+](CCC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1)CC(C)C ZINC000602664412 521469028 /nfs/dbraw/zinc/46/90/28/521469028.db2.gz WWLKSLHAUKKXEK-UHFFFAOYSA-N 2 0 351.495 2.908 20 5 FFBDRP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925764086 738528643 /nfs/dbraw/zinc/52/86/43/738528643.db2.gz VRDAQQJORXTZFK-ZKYQVNSYSA-N 2 0 354.248 2.835 20 5 FFBDRP CC(C)[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000872020347 731721382 /nfs/dbraw/zinc/72/13/82/731721382.db2.gz GJNAAKDXYZWAGP-WMLDXEAASA-N 2 0 352.454 2.657 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000872041573 731723323 /nfs/dbraw/zinc/72/33/23/731723323.db2.gz UPAVXJPNVREVOA-CQSZACIVSA-N 2 0 366.531 2.993 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000872063842 731725634 /nfs/dbraw/zinc/72/56/34/731725634.db2.gz UEEQQZBHFAFHBF-LSDHHAIUSA-N 2 0 366.531 2.993 20 5 FFBDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641358 739267354 /nfs/dbraw/zinc/26/73/54/739267354.db2.gz DOELGMMWRJHFPS-ZNMIVQPWSA-N 2 0 350.463 2.717 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873292767 1013465268 /nfs/dbraw/zinc/46/52/68/1013465268.db2.gz VWYVCEUXWQXNII-ROUUACIJSA-N 2 0 359.470 2.664 20 5 FFBDRP C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877168437 1014496515 /nfs/dbraw/zinc/49/65/15/1014496515.db2.gz UJBNMZSALXHTEE-BJMVHTGZSA-N 2 0 369.469 2.995 20 5 FFBDRP CCOc1cc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)ccc1[N+](=O)[O-] ZINC000903910380 1016300900 /nfs/dbraw/zinc/30/09/00/1016300900.db2.gz MAGPZNFPMCHVHO-ALOPSCKCSA-N 2 0 374.485 2.646 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571426 1006704635 /nfs/dbraw/zinc/70/46/35/1006704635.db2.gz DJAZVZKWJRKSQF-CQSZACIVSA-N 2 0 358.442 2.968 20 5 FFBDRP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232898 1012364520 /nfs/dbraw/zinc/36/45/20/1012364520.db2.gz JCAOECYSCUZLOQ-GOSISDBHSA-N 2 0 362.518 2.875 20 5 FFBDRP C[NH+]1CCC(N(c2ccc3cccc([N+](=O)[O-])c3n2)C2CC[NH2+]CC2)CC1 ZINC001158581483 1027066039 /nfs/dbraw/zinc/06/60/39/1027066039.db2.gz UTPXTKZFIJDCPM-UHFFFAOYSA-N 2 0 369.469 2.796 20 5 FFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782509787 1029725254 /nfs/dbraw/zinc/72/52/54/1029725254.db2.gz QVRDQORDRXMNDS-ZIAGYGMSSA-N 2 0 366.437 2.867 20 5 FFBDRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001158186325 1029752090 /nfs/dbraw/zinc/75/20/90/1029752090.db2.gz FOTCJAHGDBNLOO-UDOFLQGHSA-N 2 0 359.473 2.813 20 5 FFBDRP C[NH+]1CCC2(CCC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)CC1 ZINC000798957449 1031595412 /nfs/dbraw/zinc/59/54/12/1031595412.db2.gz XLYRNCMXEKJZEO-UHFFFAOYSA-N 2 0 361.442 2.674 20 5 FFBDRP C[NH+]1CCC2(CC[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)CC1 ZINC001254479926 1040745184 /nfs/dbraw/zinc/74/51/84/1040745184.db2.gz QKIOPZLPPPOZRA-UHFFFAOYSA-N 2 0 358.486 2.981 20 5 FFBDRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581122 1040814058 /nfs/dbraw/zinc/81/40/58/1040814058.db2.gz KSUMIGDIGFNANT-GOSISDBHSA-N 2 0 355.438 2.792 20 5 FFBDRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC001334357109 1049387290 /nfs/dbraw/zinc/38/72/90/1049387290.db2.gz RCLWWAYDIGNSAX-SQWLQELKSA-N 2 0 363.458 2.774 20 5 FFBDRP CC[C@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC001474356277 1065501159 /nfs/dbraw/zinc/50/11/59/1065501159.db2.gz YQBUIRHTAVYKPZ-ICSRJNTNSA-N 2 0 361.486 2.552 20 5 FFBDRP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105454286 250213962 /nfs/dbraw/zinc/21/39/62/250213962.db2.gz WQTSMGXAABYBLF-UHFFFAOYSA-N 2 0 357.458 2.817 20 5 FFBDRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128345492 508579906 /nfs/dbraw/zinc/57/99/06/508579906.db2.gz ZYVAPLVCASJFDQ-UHFFFAOYSA-N 2 0 366.437 2.726 20 5 FFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245440541 509936322 /nfs/dbraw/zinc/93/63/22/509936322.db2.gz UPSVCKKXTQQYLP-YOEHRIQHSA-N 2 0 362.474 2.894 20 5 FFBDRP C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1n1ccnc1 ZINC000247014326 510798929 /nfs/dbraw/zinc/79/89/29/510798929.db2.gz DFRWGSJKLRESGA-XJKSGUPXSA-N 2 0 368.397 2.924 20 5 FFBDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)CC1 ZINC000421381956 513243047 /nfs/dbraw/zinc/24/30/47/513243047.db2.gz XQJOLELYLQVXSQ-UHFFFAOYSA-N 2 0 360.502 2.895 20 5 FFBDRP Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000421766659 513415071 /nfs/dbraw/zinc/41/50/71/513415071.db2.gz GQTGHLGQIFPYPC-UHFFFAOYSA-N 2 0 364.490 2.557 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415132453 514460366 /nfs/dbraw/zinc/46/03/66/514460366.db2.gz UGJKMBHYPBPFJM-PKOBYXMFSA-N 2 0 363.458 2.712 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468626818 515443397 /nfs/dbraw/zinc/44/33/97/515443397.db2.gz JKVLOQNSLDDQLW-FSEPTYSPSA-N 2 0 360.502 2.861 20 5 FFBDRP Cc1cc(C)c([N+](=O)[O-])c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000554621814 516550183 /nfs/dbraw/zinc/55/01/83/516550183.db2.gz GVLOGRUVCIOZKS-UHFFFAOYSA-N 2 0 370.457 2.626 20 5 FFBDRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000548761167 517195985 /nfs/dbraw/zinc/19/59/85/517195985.db2.gz LACALNCSLNLMCC-HOTGVXAUSA-N 2 0 362.474 2.881 20 5 FFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000589194470 518947358 /nfs/dbraw/zinc/94/73/58/518947358.db2.gz YXFOSTTWQFTECZ-NBVRZTHBSA-N 2 0 372.513 2.958 20 5 FFBDRP CN1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000571801507 519282292 /nfs/dbraw/zinc/28/22/92/519282292.db2.gz YESALXXQXSQFCH-INIZCTEOSA-N 2 0 374.416 2.601 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478720 520407034 /nfs/dbraw/zinc/40/70/34/520407034.db2.gz ITGSKIVCVWQHOH-YJBOKZPZSA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492896 520417027 /nfs/dbraw/zinc/41/70/27/520417027.db2.gz GSGLSVLTSAUBAH-IRXDYDNUSA-N 2 0 374.485 2.943 20 5 FFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000596097510 520909974 /nfs/dbraw/zinc/90/99/74/520909974.db2.gz YKBCKTIXDPLJFW-KZNAEPCWSA-N 2 0 361.490 2.987 20 5 FFBDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602593166 521429051 /nfs/dbraw/zinc/42/90/51/521429051.db2.gz MSBNMSMVSUXKQG-UHFFFAOYSA-N 2 0 374.407 2.731 20 5 FFBDRP CC[N@H+](CCC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1)CC1CC1 ZINC000602798453 521540588 /nfs/dbraw/zinc/54/05/88/521540588.db2.gz NZGNEANZHHBLHT-UHFFFAOYSA-N 2 0 363.506 2.934 20 5 FFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602809364 521545564 /nfs/dbraw/zinc/54/55/64/521545564.db2.gz BXADCXHULZBGMD-MAUKXSAKSA-N 2 0 357.458 2.600 20 5 FFBDRP COc1c(O)ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892583314 734576555 /nfs/dbraw/zinc/57/65/55/734576555.db2.gz CCNQZIVLALKBOB-CQSZACIVSA-N 2 0 351.447 2.911 20 5 FFBDRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000892762602 734600437 /nfs/dbraw/zinc/60/04/37/734600437.db2.gz GHZNUOBURNHQAE-UHFFFAOYSA-N 2 0 366.893 2.896 20 5 FFBDRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000922394538 738136960 /nfs/dbraw/zinc/13/69/60/738136960.db2.gz XBJASLBKKKGERX-JHNDHUHGSA-N 2 0 353.488 2.616 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507408 1015943522 /nfs/dbraw/zinc/94/35/22/1015943522.db2.gz YKMLJTATZSLLNT-ZYSHUDEJSA-N 2 0 358.486 2.865 20 5 FFBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)C1 ZINC001169019595 1000017428 /nfs/dbraw/zinc/01/74/28/1000017428.db2.gz GSNAMIYUYWHECH-VQTJNVASSA-N 2 0 373.497 2.799 20 5 FFBDRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CCC[NH3+] ZINC000852760273 1006171338 /nfs/dbraw/zinc/17/13/38/1006171338.db2.gz XWFLPSMUFTVJKT-CXAGYDPISA-N 2 0 366.437 2.902 20 5 FFBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000819206245 1008064654 /nfs/dbraw/zinc/06/46/54/1008064654.db2.gz RQJDXVKIEOBNFT-IBGZPJMESA-N 2 0 356.426 2.529 20 5 FFBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001173224830 1012356921 /nfs/dbraw/zinc/35/69/21/1012356921.db2.gz PGCHAUUPQWZNJF-MRXNPFEDSA-N 2 0 354.454 2.957 20 5 FFBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001173224827 1012359012 /nfs/dbraw/zinc/35/90/12/1012359012.db2.gz PGCHAUUPQWZNJF-INIZCTEOSA-N 2 0 354.454 2.957 20 5 FFBDRP C[NH+]1CCC(N(c2ncc([N+](=O)[O-])c3ccccc32)C2CC[NH2+]CC2)CC1 ZINC001158581769 1027066754 /nfs/dbraw/zinc/06/67/54/1027066754.db2.gz VCEKXTRNQILUEP-UHFFFAOYSA-N 2 0 369.469 2.796 20 5 FFBDRP C[NH+](C)CCOc1cc(N2C[C@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001162853358 1028679085 /nfs/dbraw/zinc/67/90/85/1028679085.db2.gz IHKZQIKYPTZPRO-OAHLLOKOSA-N 2 0 356.426 2.557 20 5 FFBDRP COc1cc(N2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC001256086779 1038370367 /nfs/dbraw/zinc/37/03/67/1038370367.db2.gz DSFFHWHGEFMAKV-BJWYYQGGSA-N 2 0 374.485 2.787 20 5 FFBDRP O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CCCC[NH2+]C3)CC2)c(F)c1 ZINC001246091825 1039241151 /nfs/dbraw/zinc/24/11/51/1039241151.db2.gz QPNVVFGGKUKFDQ-CYBMUJFWSA-N 2 0 354.401 2.574 20 5 FFBDRP C[C@H]1CC[C@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[NH2+]1 ZINC001246098881 1039243106 /nfs/dbraw/zinc/24/31/06/1039243106.db2.gz QCIDIIIZEWBQAX-STQMWFEESA-N 2 0 368.428 2.820 20 5 FFBDRP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[NH2+]C1 ZINC001246108305 1039245409 /nfs/dbraw/zinc/24/54/09/1039245409.db2.gz UVYGIGRMYHQSQD-OCCSQVGLSA-N 2 0 368.428 2.820 20 5 FFBDRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158506518 508714820 /nfs/dbraw/zinc/71/48/20/508714820.db2.gz WEVLQDDCMGPGIR-LJQANCHMSA-N 2 0 369.469 2.983 20 5 FFBDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000159155861 508801077 /nfs/dbraw/zinc/80/10/77/508801077.db2.gz BOCDKXHRQQWHBD-MRXNPFEDSA-N 2 0 369.469 2.901 20 5 FFBDRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173428986 509593232 /nfs/dbraw/zinc/59/32/32/509593232.db2.gz DJTMYFMVEFSTHI-HNNXBMFYSA-N 2 0 370.453 2.737 20 5 FFBDRP O=[N+]([O-])c1cccc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)c1 ZINC000180486413 509951795 /nfs/dbraw/zinc/95/17/95/509951795.db2.gz RUEHHIKXTCCPDU-OAQYLSRUSA-N 2 0 369.465 2.978 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246487513 510515803 /nfs/dbraw/zinc/51/58/03/510515803.db2.gz GYGPZIODBMOILR-CLCXKQKWSA-N 2 0 372.469 2.871 20 5 FFBDRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422921507 513977181 /nfs/dbraw/zinc/97/71/81/513977181.db2.gz QFKOIUOCDFVMST-GJZGRUSLSA-N 2 0 363.458 2.875 20 5 FFBDRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417300243 514282343 /nfs/dbraw/zinc/28/23/43/514282343.db2.gz ACJRQTGEETXVIU-LPHOPBHVSA-N 2 0 374.485 2.539 20 5 FFBDRP C[C@@H]1CC2(C[N@@H+]1Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC[NH2+]CC2 ZINC000424283767 514446639 /nfs/dbraw/zinc/44/66/39/514446639.db2.gz BZQZSBFUZHLKIU-CYBMUJFWSA-N 2 0 357.414 2.609 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000589325613 518981150 /nfs/dbraw/zinc/98/11/50/518981150.db2.gz UAWSSVYZDYRJCV-UHFFFAOYSA-N 2 0 353.488 2.911 20 5 FFBDRP C[NH+]1CCC2(CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)CC1 ZINC000602875811 519941947 /nfs/dbraw/zinc/94/19/47/519941947.db2.gz ASBCQQMOHVYXAM-UHFFFAOYSA-N 2 0 357.414 2.563 20 5 FFBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900242 520806120 /nfs/dbraw/zinc/80/61/20/520806120.db2.gz BYWQFHGDNHUXNU-INIZCTEOSA-N 2 0 360.458 2.553 20 5 FFBDRP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900787 520808307 /nfs/dbraw/zinc/80/83/07/520808307.db2.gz LFQWOIBPDUZOLK-HOCLYGCPSA-N 2 0 360.458 2.633 20 5 FFBDRP Cn1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601970004 521048121 /nfs/dbraw/zinc/04/81/21/521048121.db2.gz IJTJWTUDHHWFSM-MRXNPFEDSA-N 2 0 357.458 2.863 20 5 FFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc3c2CC[NH2+]C3)n1 ZINC000602023609 521085126 /nfs/dbraw/zinc/08/51/26/521085126.db2.gz YQMCOEREJPEUQM-MSOLQXFVSA-N 2 0 355.442 2.711 20 5 FFBDRP CC(C)[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C)CC1 ZINC000236695358 729554840 /nfs/dbraw/zinc/55/48/40/729554840.db2.gz XQLNJHARGAUOML-QGZVFWFLSA-N 2 0 354.882 2.610 20 5 FFBDRP Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896520514 971534950 /nfs/dbraw/zinc/53/49/50/971534950.db2.gz DALUVAPWFDVKAW-INIZCTEOSA-N 2 0 356.426 2.539 20 5 FFBDRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)[C@H]1C(C)C ZINC000922392709 988553393 /nfs/dbraw/zinc/55/33/93/988553393.db2.gz GOGRAJNCOPJJOR-NCXUSEDFSA-N 2 0 365.449 2.693 20 5 FFBDRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2)[C@@H]1C(C)C ZINC000922395031 988556409 /nfs/dbraw/zinc/55/64/09/988556409.db2.gz PXTJJXHWUROENQ-LMCOJAPRSA-N 2 0 361.486 2.863 20 5 FFBDRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046844 1000018395 /nfs/dbraw/zinc/01/83/95/1000018395.db2.gz NSUJAKNRPBACJT-RTBURBONSA-N 2 0 354.539 2.562 20 5 FFBDRP C[N@H+](C[C@@H]1CCOC1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180219274 1009597887 /nfs/dbraw/zinc/59/78/87/1009597887.db2.gz LVKZAYTVHGUPEZ-IBGZPJMESA-N 2 0 361.486 2.818 20 5 FFBDRP C[C@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1O ZINC001181125569 1009984629 /nfs/dbraw/zinc/98/46/29/1009984629.db2.gz QKDLKICVRWXMIO-JXFKEZNVSA-N 2 0 361.486 2.552 20 5 FFBDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866232339 1010956401 /nfs/dbraw/zinc/95/64/01/1010956401.db2.gz JZRDSYJKOKIWDU-MRXNPFEDSA-N 2 0 366.481 2.672 20 5 FFBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001173224079 1012357765 /nfs/dbraw/zinc/35/77/65/1012357765.db2.gz LLEOWPIEDMYYBC-INIZCTEOSA-N 2 0 354.454 2.957 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000842472348 1030747737 /nfs/dbraw/zinc/74/77/37/1030747737.db2.gz XCNXSHUMMZCMSC-ZDUSSCGKSA-N 2 0 372.391 2.735 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843363259 1031355264 /nfs/dbraw/zinc/35/52/64/1031355264.db2.gz UVFASRNUZDALMQ-BBRMVZONSA-N 2 0 364.421 2.527 20 5 FFBDRP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246115645 1039246012 /nfs/dbraw/zinc/24/60/12/1039246012.db2.gz ZNEZJIXQJOJVDD-OLZOCXBDSA-N 2 0 368.428 2.820 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3CCCC[C@@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246593810 1039408614 /nfs/dbraw/zinc/40/86/14/1039408614.db2.gz NZQJDGWOWFCWTK-HNNXBMFYSA-N 2 0 362.474 2.633 20 5 FFBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001210683422 1039668334 /nfs/dbraw/zinc/66/83/34/1039668334.db2.gz SYDWFHFXGHITFY-UHFFFAOYSA-N 2 0 373.457 2.705 20 5 FFBDRP CCC[NH+]1C[C@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC001254482103 1040749519 /nfs/dbraw/zinc/74/95/19/1040749519.db2.gz IHTXMETWYRGWNL-IRXDYDNUSA-N 2 0 358.486 2.837 20 5 FFBDRP COc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272639284 252087753 /nfs/dbraw/zinc/08/77/53/252087753.db2.gz OFSUVCRZQCYBRO-UHFFFAOYSA-N 2 0 371.384 2.599 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153581637 508602466 /nfs/dbraw/zinc/60/24/66/508602466.db2.gz LTZXVXYXQGKPJV-HOTGVXAUSA-N 2 0 364.490 2.528 20 5 FFBDRP CN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000154345107 508764912 /nfs/dbraw/zinc/76/49/12/508764912.db2.gz WEFFLAJNBTYEAT-IBGZPJMESA-N 2 0 360.502 2.533 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139854115 508795837 /nfs/dbraw/zinc/79/58/37/508795837.db2.gz UVHXXHFGUIQRJF-QAPCUYQASA-N 2 0 360.458 2.648 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)N2CCC(c3ncc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000266785914 509192739 /nfs/dbraw/zinc/19/27/39/509192739.db2.gz WBMOZTNVRAPIHV-ZDUSSCGKSA-N 2 0 357.414 2.833 20 5 FFBDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000192464477 509530795 /nfs/dbraw/zinc/53/07/95/509530795.db2.gz FKNWIXYOJCSTJX-HNNXBMFYSA-N 2 0 355.442 2.592 20 5 FFBDRP COCC[NH+](CCOC)C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000285558631 510955381 /nfs/dbraw/zinc/95/53/81/510955381.db2.gz SHPYELRERSOTBH-INIZCTEOSA-N 2 0 365.474 2.715 20 5 FFBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000271064068 511073623 /nfs/dbraw/zinc/07/36/23/511073623.db2.gz CQTCLIVDDQMADD-CQSZACIVSA-N 2 0 353.488 2.512 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1(C)C ZINC000441362804 513550752 /nfs/dbraw/zinc/55/07/52/513550752.db2.gz VLRXMPFWCVDDFC-UHFFFAOYSA-N 2 0 372.469 2.970 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000449225659 514121703 /nfs/dbraw/zinc/12/17/03/514121703.db2.gz USKYRAQTTAKKPX-OAHLLOKOSA-N 2 0 358.442 2.651 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)o2)c1 ZINC000420386758 514122763 /nfs/dbraw/zinc/12/27/63/514122763.db2.gz VOSVCFBYWYZIES-LJQANCHMSA-N 2 0 356.426 2.868 20 5 FFBDRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433169957 514406057 /nfs/dbraw/zinc/40/60/57/514406057.db2.gz ZDLDLJNQJAZVCO-LJQANCHMSA-N 2 0 360.502 2.933 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415132449 514459203 /nfs/dbraw/zinc/45/92/03/514459203.db2.gz UGJKMBHYPBPFJM-IEBWSBKVSA-N 2 0 363.458 2.712 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)s2)cc1 ZINC000491250233 515400977 /nfs/dbraw/zinc/40/09/77/515400977.db2.gz QGMGNQNDRSRVQD-QGZVFWFLSA-N 2 0 372.494 2.803 20 5 FFBDRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000482118389 515579837 /nfs/dbraw/zinc/57/98/37/515579837.db2.gz COFQWWRVKFMCPP-KRWDZBQOSA-N 2 0 369.469 2.853 20 5 FFBDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000576101330 518430613 /nfs/dbraw/zinc/43/06/13/518430613.db2.gz PHYZZSKIAYXUOD-MRXNPFEDSA-N 2 0 362.474 2.881 20 5 FFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000569531983 519595404 /nfs/dbraw/zinc/59/54/04/519595404.db2.gz QNHJLZCMRFYARQ-VKAVYKQESA-N 2 0 360.502 2.956 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000594973618 520236367 /nfs/dbraw/zinc/23/63/67/520236367.db2.gz GVZNTPPFNSCTNL-HXUWFJFHSA-N 2 0 355.438 2.760 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000592433773 520389886 /nfs/dbraw/zinc/38/98/86/520389886.db2.gz WNDVAYFTCRZBNS-GJZGRUSLSA-N 2 0 361.442 2.578 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479451 520407641 /nfs/dbraw/zinc/40/76/41/520407641.db2.gz ZQFOKSJASCDSOH-WBVHZDCISA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493948 520416504 /nfs/dbraw/zinc/41/65/04/520416504.db2.gz WWLSEFSGXPFWDB-IRXDYDNUSA-N 2 0 374.485 2.943 20 5 FFBDRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595900377 520806204 /nfs/dbraw/zinc/80/62/04/520806204.db2.gz DPQXWRUQCPGWMU-MRXNPFEDSA-N 2 0 360.458 2.635 20 5 FFBDRP COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c([N+](=O)[O-])c1 ZINC000595904552 520811708 /nfs/dbraw/zinc/81/17/08/520811708.db2.gz FSDBWZDLIJJCSR-GDBMZVCRSA-N 2 0 351.447 2.822 20 5 FFBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000610798637 520849573 /nfs/dbraw/zinc/84/95/73/520849573.db2.gz IBNHHVDMGCKPBP-GOSISDBHSA-N 2 0 360.502 2.532 20 5 FFBDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611262642 521064274 /nfs/dbraw/zinc/06/42/74/521064274.db2.gz WSLDUXYJMSUGPP-UHFFFAOYSA-N 2 0 363.458 2.918 20 5 FFBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000611276065 521075436 /nfs/dbraw/zinc/07/54/36/521075436.db2.gz JVUMXUPXUYEJOG-SUOMESGTSA-N 2 0 358.486 2.708 20 5 FFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000602808857 521546292 /nfs/dbraw/zinc/54/62/92/521546292.db2.gz FGXGHVCYZDOGHH-HZPDHXFCSA-N 2 0 371.485 2.846 20 5 FFBDRP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925764079 738528585 /nfs/dbraw/zinc/52/85/85/738528585.db2.gz VRDAQQJORXTZFK-SCDSUCTJSA-N 2 0 354.248 2.835 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000872021173 731721210 /nfs/dbraw/zinc/72/12/10/731721210.db2.gz NVJYADBRRIXSQP-AWEZNQCLSA-N 2 0 366.531 2.993 20 5 FFBDRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641357 739267179 /nfs/dbraw/zinc/26/71/79/739267179.db2.gz DOELGMMWRJHFPS-RBSFLKMASA-N 2 0 350.463 2.717 20 5 FFBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001169021543 1000017674 /nfs/dbraw/zinc/01/76/74/1000017674.db2.gz LJWAMRQGRKRDRJ-HKUYNNGSSA-N 2 0 358.486 2.815 20 5 FFBDRP CCN(C)[C@H]1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001184441638 1002601517 /nfs/dbraw/zinc/60/15/17/1002601517.db2.gz YSTJWRDHXUGQSV-NRFANRHFSA-N 2 0 374.529 2.875 20 5 FFBDRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001200911842 1005142196 /nfs/dbraw/zinc/14/21/96/1005142196.db2.gz VMCJTTTWAMRXND-UHFFFAOYSA-N 2 0 372.469 2.970 20 5 FFBDRP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1O ZINC001181125583 1009985441 /nfs/dbraw/zinc/98/54/41/1009985441.db2.gz QKDLKICVRWXMIO-OXQOHEQNSA-N 2 0 361.486 2.552 20 5 FFBDRP C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014927 1012186853 /nfs/dbraw/zinc/18/68/53/1012186853.db2.gz WOZUKYJIEWLORX-SJCJKPOMSA-N 2 0 368.428 2.772 20 5 FFBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001173232448 1012365196 /nfs/dbraw/zinc/36/51/96/1012365196.db2.gz GPOIPSCOTDXCKU-KRWDZBQOSA-N 2 0 350.507 2.731 20 5 FFBDRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000925886383 1017883474 /nfs/dbraw/zinc/88/34/74/1017883474.db2.gz FTGDBBYEBURQQS-CGBFIWBNSA-N 2 0 369.469 2.924 20 5 FFBDRP COc1cc([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc([N+](=O)[O-])c1 ZINC000903123907 1020689509 /nfs/dbraw/zinc/68/95/09/1020689509.db2.gz CTPURCUYXAYGLV-MJXNMMHHSA-N 2 0 363.458 2.632 20 5 FFBDRP CSc1nc(Cl)nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1[N+](=O)[O-] ZINC001160945772 1027934293 /nfs/dbraw/zinc/93/42/93/1027934293.db2.gz LLNFWMHOLDGYOW-UHFFFAOYSA-N 2 0 364.818 2.600 20 5 FFBDRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC001334357104 1049386801 /nfs/dbraw/zinc/38/68/01/1049386801.db2.gz RCLWWAYDIGNSAX-LZWOXQAQSA-N 2 0 363.458 2.774 20 5 FFBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC001353286582 1056260668 /nfs/dbraw/zinc/26/06/68/1056260668.db2.gz CCGYNSRGRUBIPP-FQEVSTJZSA-N 2 0 370.453 2.525 20 5 FFBDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000105476369 508373290 /nfs/dbraw/zinc/37/32/90/508373290.db2.gz BKBGJMOSMCTGCW-UHFFFAOYSA-N 2 0 372.469 2.972 20 5 FFBDRP Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129312756 508711615 /nfs/dbraw/zinc/71/16/15/508711615.db2.gz DCBYVURMUKMNGB-UHFFFAOYSA-N 2 0 363.393 2.590 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150804664 508896800 /nfs/dbraw/zinc/89/68/00/508896800.db2.gz VNAWACPNCUUOTC-MRXNPFEDSA-N 2 0 360.458 2.650 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192823685 509658883 /nfs/dbraw/zinc/65/88/83/509658883.db2.gz DIVNSLQBRXHOEZ-JXFKEZNVSA-N 2 0 360.502 2.835 20 5 FFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000176820210 509708547 /nfs/dbraw/zinc/70/85/47/509708547.db2.gz SNLVXVWPOBTTGZ-UHFFFAOYSA-N 2 0 359.474 2.853 20 5 FFBDRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180018288 509711665 /nfs/dbraw/zinc/71/16/65/509711665.db2.gz YCCJKFILROMMDA-OAQYLSRUSA-N 2 0 368.481 2.911 20 5 FFBDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000189952222 509849664 /nfs/dbraw/zinc/84/96/64/509849664.db2.gz LREYSRGJQDMBAE-HZPDHXFCSA-N 2 0 357.458 2.538 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000442879030 513802146 /nfs/dbraw/zinc/80/21/46/513802146.db2.gz UZHUGDDHCSXRQI-MJGOQNOKSA-N 2 0 374.529 2.922 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000442879029 513802733 /nfs/dbraw/zinc/80/27/33/513802733.db2.gz UZHUGDDHCSXRQI-IEBWSBKVSA-N 2 0 374.529 2.922 20 5 FFBDRP COc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000422947970 513987508 /nfs/dbraw/zinc/98/75/08/513987508.db2.gz RHSOOZTZMNKITJ-OXQOHEQNSA-N 2 0 369.421 2.949 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333252 514098435 /nfs/dbraw/zinc/09/84/35/514098435.db2.gz FHBXFGUYXXDVPT-SFHVURJKSA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420387722 514122700 /nfs/dbraw/zinc/12/27/00/514122700.db2.gz GMQCYCBYGGHIRL-YJBOKZPZSA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402921 514133090 /nfs/dbraw/zinc/13/30/90/514133090.db2.gz RAYBUSUTKZVNPG-MAUKXSAKSA-N 2 0 360.458 2.696 20 5 FFBDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417325464 514295999 /nfs/dbraw/zinc/29/59/99/514295999.db2.gz QRSHLUGSLCNBFF-FQEVSTJZSA-N 2 0 360.502 2.980 20 5 FFBDRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414847889 514323153 /nfs/dbraw/zinc/32/31/53/514323153.db2.gz WJAGNJJXCVTVBG-LBPRGKRZSA-N 2 0 373.400 2.727 20 5 FFBDRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000482118390 515580172 /nfs/dbraw/zinc/58/01/72/515580172.db2.gz COFQWWRVKFMCPP-QGZVFWFLSA-N 2 0 369.469 2.853 20 5 FFBDRP Cn1cc(C[N@H+](C)CCCn2ccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000554883295 516679217 /nfs/dbraw/zinc/67/92/17/516679217.db2.gz AULDBSDPINZIPV-UHFFFAOYSA-N 2 0 354.414 2.714 20 5 FFBDRP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000594503817 520005548 /nfs/dbraw/zinc/00/55/48/520005548.db2.gz BRODSGLIPRUWSX-XLIONFOSSA-N 2 0 367.449 2.939 20 5 FFBDRP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595066141 520275615 /nfs/dbraw/zinc/27/56/15/520275615.db2.gz CQKWALIWZIVBQI-XLIONFOSSA-N 2 0 367.449 2.939 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592478845 520407175 /nfs/dbraw/zinc/40/71/75/520407175.db2.gz KBSYNKOONYQHQZ-WBVHZDCISA-N 2 0 360.458 2.696 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592494015 520415517 /nfs/dbraw/zinc/41/55/17/520415517.db2.gz ZHJZLYUSVJSRHO-HZPDHXFCSA-N 2 0 360.458 2.635 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000592492983 520416903 /nfs/dbraw/zinc/41/69/03/520416903.db2.gz LAFKKPKJURYOSQ-CVEARBPZSA-N 2 0 371.441 2.856 20 5 FFBDRP COc1cc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000601335858 520745615 /nfs/dbraw/zinc/74/56/15/520745615.db2.gz YWTNCMCIJFYJQL-YPMHNXCESA-N 2 0 371.384 2.779 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593316803 520904949 /nfs/dbraw/zinc/90/49/49/520904949.db2.gz XSTOSIDBOQRWFF-QOKNQOGYSA-N 2 0 363.458 2.712 20 5 FFBDRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593319830 520906201 /nfs/dbraw/zinc/90/62/01/520906201.db2.gz YSGDHPHMRIIQEH-CQSZACIVSA-N 2 0 356.426 2.821 20 5 FFBDRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593319829 520906743 /nfs/dbraw/zinc/90/67/43/520906743.db2.gz YSGDHPHMRIIQEH-AWEZNQCLSA-N 2 0 356.426 2.821 20 5 FFBDRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000596653883 521193128 /nfs/dbraw/zinc/19/31/28/521193128.db2.gz MBCKTARZXKAZAO-OAHLLOKOSA-N 2 0 362.474 2.544 20 5 FFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872024231 731721763 /nfs/dbraw/zinc/72/17/63/731721763.db2.gz ZHPGOSOQKOKPRP-CABCVRRESA-N 2 0 366.531 2.993 20 5 FFBDRP O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000923333075 738272076 /nfs/dbraw/zinc/27/20/76/738272076.db2.gz TWKSDSDLYWDOPA-UHFFFAOYSA-N 2 0 354.248 2.933 20 5 FFBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000844903341 748133362 /nfs/dbraw/zinc/13/33/62/748133362.db2.gz XQEUCXROZXHCAV-MJEQTWJJSA-N 2 0 353.850 2.967 20 5 FFBDRP C[N@@H+]1CCC[C@@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC[C@H]21 ZINC000765102803 984962925 /nfs/dbraw/zinc/96/29/25/984962925.db2.gz ARQINOGTULVIOJ-VQIMIIECSA-N 2 0 355.442 2.832 20 5 FFBDRP C[NH+](C)C[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000884569720 1007479955 /nfs/dbraw/zinc/47/99/55/1007479955.db2.gz VURRAGGNEIRDKW-CHWSQXEVSA-N 2 0 374.407 2.789 20 5 FFBDRP CCC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000925855125 1017877941 /nfs/dbraw/zinc/87/79/41/1017877941.db2.gz OISQEYFBBYSQHY-SJORKVTESA-N 2 0 361.442 2.711 20 5 FFBDRP CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160740188 1027847363 /nfs/dbraw/zinc/84/73/63/1027847363.db2.gz YPPFFRZTGJDWHG-NRFANRHFSA-N 2 0 359.473 2.760 20 5 FFBDRP C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001162465083 1028547244 /nfs/dbraw/zinc/54/72/44/1028547244.db2.gz BUDVTVYCOLIFBD-GJZGRUSLSA-N 2 0 350.463 2.583 20 5 FFBDRP C[NH+](C)CCOc1cc(NCc2ccc3c(c2)CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001162809904 1028665069 /nfs/dbraw/zinc/66/50/69/1028665069.db2.gz LNVLXCIQRGUHHF-UHFFFAOYSA-N 2 0 370.453 2.793 20 5 FFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782509784 1029725908 /nfs/dbraw/zinc/72/59/08/1029725908.db2.gz QVRDQORDRXMNDS-KGLIPLIRSA-N 2 0 366.437 2.867 20 5 FFBDRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246101510 1039243082 /nfs/dbraw/zinc/24/30/82/1039243082.db2.gz QLGIUARELODMHK-STQMWFEESA-N 2 0 368.428 2.677 20 5 FFBDRP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246122593 1039248861 /nfs/dbraw/zinc/24/88/61/1039248861.db2.gz XPLJIXAPKGVFSP-QWHCGFSZSA-N 2 0 368.428 2.677 20 5 FFBDRP [NH3+][C@H]1CC[C@H]([N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CCOCC2)CC1 ZINC001254587633 1040818533 /nfs/dbraw/zinc/81/85/33/1040818533.db2.gz RQMLCTNDFGAUGU-MBOZVWFJSA-N 2 0 359.470 2.813 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH+]3CC4(C3)CCOCC4)CC2)cc1 ZINC001308809581 1052502269 /nfs/dbraw/zinc/50/22/69/1052502269.db2.gz NKWIXBJVYFPNAD-UHFFFAOYSA-N 2 0 373.497 2.962 20 5 FFBDRP CC1([NH+]2CCC2)CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC001352088830 1055183071 /nfs/dbraw/zinc/18/30/71/1055183071.db2.gz PNXRNEOYKUURIX-UHFFFAOYSA-N 2 0 373.501 2.955 20 5 FFBDRP CCCN1CC[C@H]([NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001462458519 1061631695 /nfs/dbraw/zinc/63/16/95/1061631695.db2.gz OVCWOEKRZGEDQR-FQEVSTJZSA-N 2 0 374.529 2.923 20 5 FFBDRP CC[NH+]1CCN([C@H]2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000302155537 258091636 /nfs/dbraw/zinc/09/16/36/258091636.db2.gz IRNZJNMKINTRAI-KRWDZBQOSA-N 2 0 369.469 2.668 20 5 FFBDRP Cc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000375245649 512229453 /nfs/dbraw/zinc/22/94/53/512229453.db2.gz OMSOLLPCVDAAJY-UHFFFAOYSA-N 2 0 360.502 2.753 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153581432 508602677 /nfs/dbraw/zinc/60/26/77/508602677.db2.gz LTZXVXYXQGKPJV-CVEARBPZSA-N 2 0 364.490 2.528 20 5 FFBDRP CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC[NH+](C)CC1 ZINC000132410899 509028197 /nfs/dbraw/zinc/02/81/97/509028197.db2.gz WBDWXGKMYFMZCD-FPOVZHCZSA-N 2 0 374.529 2.778 20 5 FFBDRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000192775309 509640552 /nfs/dbraw/zinc/64/05/52/509640552.db2.gz USWJJXVLBZDRST-UHFFFAOYSA-N 2 0 360.502 2.975 20 5 FFBDRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180018275 509711601 /nfs/dbraw/zinc/71/16/01/509711601.db2.gz YCCJKFILROMMDA-NRFANRHFSA-N 2 0 368.481 2.911 20 5 FFBDRP O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)c1 ZINC000180486391 509951996 /nfs/dbraw/zinc/95/19/96/509951996.db2.gz RUEHHIKXTCCPDU-NRFANRHFSA-N 2 0 369.465 2.978 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000271481722 511219674 /nfs/dbraw/zinc/21/96/74/511219674.db2.gz NPSMRMKGRIXIGK-VQIMIIECSA-N 2 0 365.474 2.700 20 5 FFBDRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000411472011 512652081 /nfs/dbraw/zinc/65/20/81/512652081.db2.gz GTNJUAAXMZTSIE-GOSISDBHSA-N 2 0 362.474 2.625 20 5 FFBDRP Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000447049760 513387790 /nfs/dbraw/zinc/38/77/90/513387790.db2.gz WTUOMJXROZUMMT-UHFFFAOYSA-N 2 0 355.442 2.922 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000417338920 514300496 /nfs/dbraw/zinc/30/04/96/514300496.db2.gz ZPOXOYVKTJLEQZ-LJQANCHMSA-N 2 0 360.502 2.978 20 5 FFBDRP CC(C)[N@H+](C)CC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533409090 517448619 /nfs/dbraw/zinc/44/86/19/517448619.db2.gz RLPZMOBXDUQXEA-UHFFFAOYSA-N 2 0 362.474 2.610 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000589505954 519019771 /nfs/dbraw/zinc/01/97/71/519019771.db2.gz RXBUTUCJHSEMOL-SUMWQHHRSA-N 2 0 358.398 2.661 20 5 FFBDRP C[NH+]1CCC2(CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)CC1 ZINC000602878454 519944673 /nfs/dbraw/zinc/94/46/73/519944673.db2.gz WNQDERRDWSTLRY-UHFFFAOYSA-N 2 0 357.414 2.563 20 5 FFBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492820 520415814 /nfs/dbraw/zinc/41/58/14/520415814.db2.gz DJZLNBOLVZQACJ-BZUAXINKSA-N 2 0 360.458 2.633 20 5 FFBDRP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900729 520804553 /nfs/dbraw/zinc/80/45/53/520804553.db2.gz JIJDNWLLSDOAFS-NVXWUHKLSA-N 2 0 374.485 2.942 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900418 520805512 /nfs/dbraw/zinc/80/55/12/520805512.db2.gz FPDRYIQGRKHZBA-KRWDZBQOSA-N 2 0 374.485 2.943 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900742 520806242 /nfs/dbraw/zinc/80/62/42/520806242.db2.gz JQOPVEQPFYGXPQ-KRWDZBQOSA-N 2 0 374.485 2.943 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595901453 520807559 /nfs/dbraw/zinc/80/75/59/520807559.db2.gz WLEZAXLOWVCROV-MRXNPFEDSA-N 2 0 360.458 2.635 20 5 FFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc3c2CC[NH2+]C3)n1 ZINC000602023612 521084300 /nfs/dbraw/zinc/08/43/00/521084300.db2.gz YQMCOEREJPEUQM-ZWKOTPCHSA-N 2 0 355.442 2.711 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000872030848 731722491 /nfs/dbraw/zinc/72/24/91/731722491.db2.gz CQXDEILGHXSOIL-GJZGRUSLSA-N 2 0 366.531 2.851 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000872030850 731722509 /nfs/dbraw/zinc/72/25/09/731722509.db2.gz CQXDEILGHXSOIL-LSDHHAIUSA-N 2 0 366.531 2.851 20 5 FFBDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000841104795 747270866 /nfs/dbraw/zinc/27/08/66/747270866.db2.gz SQBLGKCSZNKNSC-PBHICJAKSA-N 2 0 353.850 2.967 20 5 FFBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000876967765 1014435293 /nfs/dbraw/zinc/43/52/93/1014435293.db2.gz AUGQNUMARZXCAB-UHFFFAOYSA-N 2 0 369.469 2.997 20 5 FFBDRP C[NH+]1CCC2(CC1)CC[NH+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000879249476 1015438962 /nfs/dbraw/zinc/43/89/62/1015438962.db2.gz RAUIDFZZYRPUMS-UHFFFAOYSA-N 2 0 360.458 2.731 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC001206637016 1032371756 /nfs/dbraw/zinc/37/17/56/1032371756.db2.gz UOEUXQYBYUXRQU-WOJBJXKFSA-N 2 0 361.486 2.742 20 5 FFBDRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906100 1012076600 /nfs/dbraw/zinc/07/66/00/1012076600.db2.gz XAPXVYIUMPMNAU-BZSNNMDCSA-N 2 0 359.470 2.813 20 5 FFBDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903066349 1020659753 /nfs/dbraw/zinc/65/97/53/1020659753.db2.gz KTMURAJXQHAYLX-MRXNPFEDSA-N 2 0 364.490 2.672 20 5 FFBDRP C[NH+]1CCC(C[NH+]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)CC1 ZINC001157842834 1029674374 /nfs/dbraw/zinc/67/43/74/1029674374.db2.gz ZQOUCXQUJPNCRX-UHFFFAOYSA-N 2 0 369.469 2.607 20 5 FFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421753 1029825434 /nfs/dbraw/zinc/82/54/34/1029825434.db2.gz FSUOAGVAJXLZKI-FDFHNCONSA-N 2 0 359.473 2.826 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843363260 1031355614 /nfs/dbraw/zinc/35/56/14/1031355614.db2.gz UVFASRNUZDALMQ-CJNGLKHVSA-N 2 0 364.421 2.527 20 5 FFBDRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C[NH2+]1 ZINC001219683879 1033746429 /nfs/dbraw/zinc/74/64/29/1033746429.db2.gz GSKHMJSWQZDXPU-MCFFVMPBSA-N 2 0 361.489 2.977 20 5 FFBDRP Cc1cc(N2CCN([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)nc(C)n1 ZINC001254562133 1040798694 /nfs/dbraw/zinc/79/86/94/1040798694.db2.gz JUNFOFRCOHXTJF-HNNXBMFYSA-N 2 0 355.442 2.755 20 5 FFBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC001338468868 1055543049 /nfs/dbraw/zinc/54/30/49/1055543049.db2.gz YWVXDZKLICDWAQ-FQEVSTJZSA-N 2 0 370.453 2.525 20 5 FFBDRP Cc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC001461119782 1061218135 /nfs/dbraw/zinc/21/81/35/1061218135.db2.gz HJFOBMCDANUJKT-UHFFFAOYSA-N 2 0 369.469 2.600 20 5 FFBDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473810091 1065373625 /nfs/dbraw/zinc/37/36/25/1065373625.db2.gz UIENKVUBWPQYIP-MRXNPFEDSA-N 2 0 356.426 2.969 20 5 FFBDRP C[C@]1(O)CCC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001474360720 1065502511 /nfs/dbraw/zinc/50/25/11/1065502511.db2.gz DBILIDKXWDQEGP-FQEVSTJZSA-N 2 0 361.486 2.696 20 5 FFBDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081568920 508190832 /nfs/dbraw/zinc/19/08/32/508190832.db2.gz XBIDZCGFFFSKCX-MRXNPFEDSA-N 2 0 362.474 2.896 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000186582765 509784225 /nfs/dbraw/zinc/78/42/25/509784225.db2.gz GTDPFUTXZYAOTC-CVEARBPZSA-N 2 0 364.490 2.670 20 5 FFBDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000189952199 509849788 /nfs/dbraw/zinc/84/97/88/509849788.db2.gz LREYSRGJQDMBAE-HOTGVXAUSA-N 2 0 357.458 2.538 20 5 FFBDRP Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181523799 510453660 /nfs/dbraw/zinc/45/36/60/510453660.db2.gz ZSEDIUXDGXCYTM-HNNXBMFYSA-N 2 0 356.426 2.610 20 5 FFBDRP [NH3+]CCCOC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000430579620 513695431 /nfs/dbraw/zinc/69/54/31/513695431.db2.gz CLRMEMGHBJRTOI-UHFFFAOYSA-N 2 0 374.441 2.622 20 5 FFBDRP Cn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430916402 513779852 /nfs/dbraw/zinc/77/98/52/513779852.db2.gz AMCRGPABBQODHH-UHFFFAOYSA-N 2 0 355.442 2.571 20 5 FFBDRP O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420321678 514092761 /nfs/dbraw/zinc/09/27/61/514092761.db2.gz RIQSMUROKMIIFO-CYBMUJFWSA-N 2 0 372.391 2.735 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402923 514133718 /nfs/dbraw/zinc/13/37/18/514133718.db2.gz RAYBUSUTKZVNPG-YJBOKZPZSA-N 2 0 360.458 2.696 20 5 FFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417319286 514293413 /nfs/dbraw/zinc/29/34/13/514293413.db2.gz HMDIQTIKAOSCNW-JXFKEZNVSA-N 2 0 360.502 2.978 20 5 FFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433166943 514404831 /nfs/dbraw/zinc/40/48/31/514404831.db2.gz LVXNKAZADVCMPV-KXBFYZLASA-N 2 0 360.502 2.933 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470972876 514700775 /nfs/dbraw/zinc/70/07/75/514700775.db2.gz BBLAXIRDIYIFJR-QGZVFWFLSA-N 2 0 374.485 2.896 20 5 FFBDRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000472553977 515310665 /nfs/dbraw/zinc/31/06/65/515310665.db2.gz IUMNMFFLMZQHEM-IBGZPJMESA-N 2 0 372.469 2.503 20 5 FFBDRP Cn1ccnc1[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721777 515770043 /nfs/dbraw/zinc/77/00/43/515770043.db2.gz AWKLXBXGFCNSJU-CRAIPNDOSA-N 2 0 357.458 2.739 20 5 FFBDRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533270861 517376866 /nfs/dbraw/zinc/37/68/66/517376866.db2.gz QRQOADUKNIQBNR-UHFFFAOYSA-N 2 0 362.474 2.976 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000589505942 519020197 /nfs/dbraw/zinc/02/01/97/519020197.db2.gz RXBUTUCJHSEMOL-CXAGYDPISA-N 2 0 358.398 2.661 20 5 FFBDRP O=C(CC[NH2+]C1CC[NH+](C2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000566112738 519308747 /nfs/dbraw/zinc/30/87/47/519308747.db2.gz RQPTZVZLRZTDJU-UHFFFAOYSA-N 2 0 360.458 2.920 20 5 FFBDRP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000594503814 520005872 /nfs/dbraw/zinc/00/58/72/520005872.db2.gz BRODSGLIPRUWSX-FXAWDEMLSA-N 2 0 367.449 2.939 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000595007480 520254755 /nfs/dbraw/zinc/25/47/55/520254755.db2.gz OEVJQLGTRDBTIL-MAUKXSAKSA-N 2 0 364.490 2.526 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000592433774 520390385 /nfs/dbraw/zinc/39/03/85/520390385.db2.gz WNDVAYFTCRZBNS-HUUCEWRRSA-N 2 0 361.442 2.578 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000872063840 731725518 /nfs/dbraw/zinc/72/55/18/731725518.db2.gz UEEQQZBHFAFHBF-GJZGRUSLSA-N 2 0 366.531 2.993 20 5 FFBDRP O=[N+]([O-])c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Cl ZINC000841087166 747265968 /nfs/dbraw/zinc/26/59/68/747265968.db2.gz JRJKIQGLJNTLHY-UHFFFAOYSA-N 2 0 352.866 2.554 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873292966 1013464651 /nfs/dbraw/zinc/46/46/51/1013464651.db2.gz WVRINTHHBAYIRX-GOEBONIOSA-N 2 0 363.458 2.803 20 5 FFBDRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000903793041 1016202140 /nfs/dbraw/zinc/20/21/40/1016202140.db2.gz LFNGBDHWAIHOLK-LJQANCHMSA-N 2 0 355.438 2.621 20 5 FFBDRP [NH3+]CCCP(CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006507 1000014975 /nfs/dbraw/zinc/01/49/75/1000014975.db2.gz YFEONQSNIPDDSP-HSQXHLSASA-N 2 0 351.431 2.568 20 5 FFBDRP O=C(CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000886874716 1008910719 /nfs/dbraw/zinc/91/07/19/1008910719.db2.gz UYOIQJYQXIWEQR-GOSISDBHSA-N 2 0 364.421 2.528 20 5 FFBDRP Cc1nccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130592090 1009350436 /nfs/dbraw/zinc/35/04/36/1009350436.db2.gz BXJLJLULNAVHDW-AWEZNQCLSA-N 2 0 359.430 2.757 20 5 FFBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000866307115 1010974213 /nfs/dbraw/zinc/97/42/13/1010974213.db2.gz QYWXHECUQMJJTC-XVSDVWIESA-N 2 0 365.449 2.632 20 5 FFBDRP COc1cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903064938 1020659820 /nfs/dbraw/zinc/65/98/20/1020659820.db2.gz CBIGZESDGKLCQW-BEFAXECRSA-N 2 0 364.490 2.526 20 5 FFBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C1CC[NH2+]CC1 ZINC001219005690 1033456479 /nfs/dbraw/zinc/45/64/79/1033456479.db2.gz TYBGNWAHEMVNME-UHFFFAOYSA-N 2 0 364.449 2.895 20 5 FFBDRP C[C@@H]([NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccnn1C ZINC001207218641 1037257199 /nfs/dbraw/zinc/25/71/99/1037257199.db2.gz PWNUFBOSPQTBOV-MRXNPFEDSA-N 2 0 371.485 2.934 20 5 FFBDRP C[C@H]([NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccnn1C ZINC001207218640 1037257604 /nfs/dbraw/zinc/25/76/04/1037257604.db2.gz PWNUFBOSPQTBOV-INIZCTEOSA-N 2 0 371.485 2.934 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)c1F ZINC001246097844 1039244667 /nfs/dbraw/zinc/24/46/67/1039244667.db2.gz OTOCKVWQESBBJW-IHRRRGAJSA-N 2 0 353.438 2.899 20 5 FFBDRP COc1cc(N2CCC([NH2+][C@@]34CC[C@@]([NH3+])(C3)CCC4)CC2)ccc1[N+](=O)[O-] ZINC001246342810 1039316635 /nfs/dbraw/zinc/31/66/35/1039316635.db2.gz UZHRWKLQVFOWEU-UXHICEINSA-N 2 0 374.485 2.966 20 5 FFBDRP NC1=CC=C(C2CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)[NH2+]C1 ZINC001246492943 1039371549 /nfs/dbraw/zinc/37/15/49/1039371549.db2.gz FRDVHODXBJVKAQ-IBGZPJMESA-N 2 0 368.481 2.884 20 5 FFBDRP CC(C)[N@H+](C)Cc1nn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c1CC[NH2+]C2 ZINC001254598773 1040830173 /nfs/dbraw/zinc/83/01/73/1040830173.db2.gz XIYMGJHEUDEDQK-QGZVFWFLSA-N 2 0 369.469 2.617 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(COCC[NH+]3CCCC3)CC1)C2 ZINC001254601027 1040831651 /nfs/dbraw/zinc/83/16/51/1040831651.db2.gz XJMZHQQOZJDXGZ-NRFANRHFSA-N 2 0 373.497 2.886 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001326584331 1046989124 /nfs/dbraw/zinc/98/91/24/1046989124.db2.gz WRWVYMGFFLHPDS-UHFFFAOYSA-N 2 0 357.414 2.610 20 5 FFBDRP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1 ZINC001335419672 1053349896 /nfs/dbraw/zinc/34/98/96/1053349896.db2.gz DENMDOHDLMZNML-HXUWFJFHSA-N 2 0 369.465 2.881 20 5 FFBDRP C[N@@H+]1C[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC001336830719 1054265723 /nfs/dbraw/zinc/26/57/23/1054265723.db2.gz UTQGAWRZPRUCNC-HOJAQTOUSA-N 2 0 355.438 2.563 20 5 FFBDRP Cn1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001349325811 1055192104 /nfs/dbraw/zinc/19/21/04/1055192104.db2.gz QWKZGRRQMQLJOJ-UHFFFAOYSA-N 2 0 369.469 2.961 20 5 FFBDRP O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC(n3ccnc3)CC2)c1 ZINC000848478057 1060100644 /nfs/dbraw/zinc/10/06/44/1060100644.db2.gz BAAXDSPMFAJRAU-UHFFFAOYSA-N 2 0 352.398 2.949 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]CC[C@H](O)C3CC3)CC2)cc1 ZINC001462657900 1061710237 /nfs/dbraw/zinc/71/02/37/1061710237.db2.gz JUEONRWTXUYQSJ-FQEVSTJZSA-N 2 0 361.486 2.600 20 5 FFBDRP C[C@H]1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001474716619 1065588245 /nfs/dbraw/zinc/58/82/45/1065588245.db2.gz QXTASHSOYHETSI-KRWDZBQOSA-N 2 0 361.486 2.960 20 5 FFBDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176226988 509389443 /nfs/dbraw/zinc/38/94/43/509389443.db2.gz FYMMJJZCFAAGAM-UHFFFAOYSA-N 2 0 357.458 2.635 20 5 FFBDRP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000173946792 509870425 /nfs/dbraw/zinc/87/04/25/509870425.db2.gz NECSQXYLOYAZMW-UHFFFAOYSA-N 2 0 363.458 2.680 20 5 FFBDRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261797086 510067866 /nfs/dbraw/zinc/06/78/66/510067866.db2.gz QPLBNLZMAPAQAI-SJORKVTESA-N 2 0 368.437 2.598 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000274839755 511959470 /nfs/dbraw/zinc/95/94/70/511959470.db2.gz LTVBUGPOCDQLMQ-QFBILLFUSA-N 2 0 365.474 2.700 20 5 FFBDRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414847887 514322261 /nfs/dbraw/zinc/32/22/61/514322261.db2.gz WJAGNJJXCVTVBG-GFCCVEGCSA-N 2 0 373.400 2.727 20 5 FFBDRP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414871085 514332850 /nfs/dbraw/zinc/33/28/50/514332850.db2.gz CVHOXWYZKRACEX-AWEZNQCLSA-N 2 0 359.426 2.867 20 5 FFBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000504896539 515404668 /nfs/dbraw/zinc/40/46/68/515404668.db2.gz YMRWMTRLLPOJOR-CABCVRRESA-N 2 0 353.488 2.512 20 5 FFBDRP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592492946 520415452 /nfs/dbraw/zinc/41/54/52/520415452.db2.gz ISXTWSBTNYKVMV-JKSUJKDBSA-N 2 0 363.458 2.694 20 5 FFBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492826 520416173 /nfs/dbraw/zinc/41/61/73/520416173.db2.gz DJZLNBOLVZQACJ-OWCLPIDISA-N 2 0 360.458 2.633 20 5 FFBDRP COc1cc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000601335856 520746177 /nfs/dbraw/zinc/74/61/77/520746177.db2.gz YWTNCMCIJFYJQL-DGCLKSJQSA-N 2 0 371.384 2.779 20 5 FFBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900788 520807365 /nfs/dbraw/zinc/80/73/65/520807365.db2.gz LFQWOIBPDUZOLK-ZBFHGGJFSA-N 2 0 360.458 2.633 20 5 FFBDRP C[NH+](C)Cc1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602592081 521427926 /nfs/dbraw/zinc/42/79/26/521427926.db2.gz HZTXSBGTEDCCHM-UHFFFAOYSA-N 2 0 369.469 2.810 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cn1 ZINC000602716927 521493905 /nfs/dbraw/zinc/49/39/05/521493905.db2.gz VHZGBUOZWGPPGI-KRWDZBQOSA-N 2 0 373.501 2.670 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000872034650 731722972 /nfs/dbraw/zinc/72/29/72/731722972.db2.gz QCLZUCJJCVLHTR-KGLIPLIRSA-N 2 0 352.504 2.603 20 5 FFBDRP Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000888283526 734031494 /nfs/dbraw/zinc/03/14/94/734031494.db2.gz SBFJYJHDZJLLNA-UHFFFAOYSA-N 2 0 371.869 2.514 20 5 FFBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000892948056 734627548 /nfs/dbraw/zinc/62/75/48/734627548.db2.gz LRKWIXSRKKQXFW-OAHLLOKOSA-N 2 0 352.866 2.506 20 5 FFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000873010594 1013346639 /nfs/dbraw/zinc/34/66/39/1013346639.db2.gz MENQBEJUQLXJPH-UHFFFAOYSA-N 2 0 369.469 2.648 20 5 FFBDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262056390 965697584 /nfs/dbraw/zinc/69/75/84/965697584.db2.gz QQQVOQGZLMTAEH-UHFFFAOYSA-N 2 0 355.442 2.571 20 5 FFBDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877665873 1014667912 /nfs/dbraw/zinc/66/79/12/1014667912.db2.gz MLCJIHVSHAORBM-XMZVIZOASA-N 2 0 369.469 2.853 20 5 FFBDRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000922394091 988554308 /nfs/dbraw/zinc/55/43/08/988554308.db2.gz UQMNQMNQMNXRAM-AFYVEPGGSA-N 2 0 361.486 2.863 20 5 FFBDRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2)[C@@H]1C(C)C ZINC000922395034 988556660 /nfs/dbraw/zinc/55/66/60/988556660.db2.gz PXTJJXHWUROENQ-RSPOEFSDSA-N 2 0 361.486 2.863 20 5 FFBDRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880258793 1015791349 /nfs/dbraw/zinc/79/13/49/1015791349.db2.gz CJZBVHCDOICJKG-OAHLLOKOSA-N 2 0 369.425 2.529 20 5 FFBDRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000903793039 1016202300 /nfs/dbraw/zinc/20/23/00/1016202300.db2.gz LFNGBDHWAIHOLK-IBGZPJMESA-N 2 0 355.438 2.621 20 5 FFBDRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046843 1000018494 /nfs/dbraw/zinc/01/84/94/1000018494.db2.gz NSUJAKNRPBACJT-RBUKOAKNSA-N 2 0 354.539 2.562 20 5 FFBDRP COc1ccc(C[C@H](C)[N@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170317450 1003107718 /nfs/dbraw/zinc/10/77/18/1003107718.db2.gz ITLUYHQHJFYQCW-BPUTZDHNSA-N 2 0 363.458 2.505 20 5 FFBDRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850482049 1005817944 /nfs/dbraw/zinc/81/79/44/1005817944.db2.gz DCFVQANHLKFFNN-CQSZACIVSA-N 2 0 362.474 2.719 20 5 FFBDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866232336 1010956409 /nfs/dbraw/zinc/95/64/09/1010956409.db2.gz JZRDSYJKOKIWDU-INIZCTEOSA-N 2 0 366.481 2.672 20 5 FFBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001173232450 1012363712 /nfs/dbraw/zinc/36/37/12/1012363712.db2.gz GPOIPSCOTDXCKU-QGZVFWFLSA-N 2 0 350.507 2.731 20 5 FFBDRP C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001162778212 1028653766 /nfs/dbraw/zinc/65/37/66/1028653766.db2.gz ZNLFTJWTLLWYJN-CYBMUJFWSA-N 2 0 369.425 2.894 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@H]3CC[C@H](C)[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001246089728 1039241044 /nfs/dbraw/zinc/24/10/44/1039241044.db2.gz DIVWEWKGTGZEFU-GJZGRUSLSA-N 2 0 362.474 2.550 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3CCC[C@@]34CCC[NH2+]C4)CC2)ccc1[N+](=O)[O-] ZINC001246607643 1039412362 /nfs/dbraw/zinc/41/23/62/1039412362.db2.gz HCILMXCHDBYXQX-HXUWFJFHSA-N 2 0 374.485 2.790 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310294 1046864444 /nfs/dbraw/zinc/86/44/44/1046864444.db2.gz BEUHSUNAFDZKTB-UHFFFAOYSA-N 2 0 360.458 2.697 20 5 FFBDRP CC(C)C1(O)C[NH+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001560875236 1076305521 /nfs/dbraw/zinc/30/55/21/1076305521.db2.gz HGVZKJPZLYZCCY-UHFFFAOYSA-N 2 0 361.486 2.552 20 5 FFBDRP Cc1cc(N2CCC([N@H+](C)CCCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272889074 252157986 /nfs/dbraw/zinc/15/79/86/252157986.db2.gz XKIKNVSJJCKAFJ-UHFFFAOYSA-N 2 0 358.442 2.734 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000140049814 508798844 /nfs/dbraw/zinc/79/88/44/508798844.db2.gz DXPAQWSPXZTRNV-CRAIPNDOSA-N 2 0 360.458 2.648 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000121123932 509133118 /nfs/dbraw/zinc/13/31/18/509133118.db2.gz CMUHXOSNRLJQAL-PXNSSMCTSA-N 2 0 374.529 2.779 20 5 FFBDRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000237388557 509637221 /nfs/dbraw/zinc/63/72/21/509637221.db2.gz ZQZITQXIWIDAEI-HNNXBMFYSA-N 2 0 357.458 2.817 20 5 FFBDRP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000180465070 509938382 /nfs/dbraw/zinc/93/83/82/509938382.db2.gz HCRZXFQSOQIXQZ-UWJYYQICSA-N 2 0 368.481 2.910 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247302650 510856252 /nfs/dbraw/zinc/85/62/52/510856252.db2.gz UVHXXHFGUIQRJF-YJBOKZPZSA-N 2 0 360.458 2.648 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000282401964 510961775 /nfs/dbraw/zinc/96/17/75/510961775.db2.gz RRCHNHCBCGJNNM-OAHLLOKOSA-N 2 0 364.490 2.670 20 5 FFBDRP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292133251 511478085 /nfs/dbraw/zinc/47/80/85/511478085.db2.gz LLBYWPTWHQNPIO-LJQANCHMSA-N 2 0 356.426 2.820 20 5 FFBDRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435385715 513572563 /nfs/dbraw/zinc/57/25/63/513572563.db2.gz SVOSMIFXQFURAJ-WBAXXEDZSA-N 2 0 355.442 2.555 20 5 FFBDRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000442928601 513816630 /nfs/dbraw/zinc/81/66/30/513816630.db2.gz QCPRWDSVMUXROZ-LLVKDONJSA-N 2 0 359.373 2.766 20 5 FFBDRP CN1CC[NH+](CC2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000589194379 518947165 /nfs/dbraw/zinc/94/71/65/518947165.db2.gz FBZYADGERUKQEV-XQRVVYSFSA-N 2 0 358.486 2.567 20 5 FFBDRP CSC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[NH+](C)CC1 ZINC000571693986 519224564 /nfs/dbraw/zinc/22/45/64/519224564.db2.gz FGPYYLGKZRYZPJ-LSDHHAIUSA-N 2 0 367.519 2.692 20 5 FFBDRP COc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])cc1OC ZINC000594736555 520122794 /nfs/dbraw/zinc/12/27/94/520122794.db2.gz RRRXQLUHUIUDBF-OAHLLOKOSA-N 2 0 363.458 2.824 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592492977 520415337 /nfs/dbraw/zinc/41/53/37/520415337.db2.gz KEERMHCJHQPWRL-HZPDHXFCSA-N 2 0 360.458 2.635 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493001 520415968 /nfs/dbraw/zinc/41/59/68/520415968.db2.gz LGPCFSNHDHSLQE-IRXDYDNUSA-N 2 0 374.485 2.943 20 5 FFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc3c2CC[NH2+]C3)n1 ZINC000602023610 521085083 /nfs/dbraw/zinc/08/50/83/521085083.db2.gz YQMCOEREJPEUQM-QZTJIDSGSA-N 2 0 355.442 2.711 20 5 FFBDRP O=[N+]([O-])c1cc(CN2CCCN(c3cc[nH+]cc3)CC2)c2c(c1)COCO2 ZINC000602846487 521566816 /nfs/dbraw/zinc/56/68/16/521566816.db2.gz QPDJVYRNPDRSSR-UHFFFAOYSA-N 2 0 370.409 2.569 20 5 FFBDRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000922385383 738134777 /nfs/dbraw/zinc/13/47/77/738134777.db2.gz ASZDZKJNAYTHMH-ZJPYXAASSA-N 2 0 367.877 2.818 20 5 FFBDRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818339930 742265009 /nfs/dbraw/zinc/26/50/09/742265009.db2.gz GFBBXEAJEPIENJ-LBPRGKRZSA-N 2 0 366.849 2.651 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCC[C@H](O)CC3)CC2)cc1 ZINC001206042656 1032120407 /nfs/dbraw/zinc/12/04/07/1032120407.db2.gz ZGURVKCHWVCKTK-FQEVSTJZSA-N 2 0 361.486 2.696 20 5 FFBDRP CC1(C)[C@@H](O)CC[N@@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001182009014 1010357859 /nfs/dbraw/zinc/35/78/59/1010357859.db2.gz XRIOVZFGOVULAP-IBGZPJMESA-N 2 0 361.486 2.695 20 5 FFBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000866307112 1010973910 /nfs/dbraw/zinc/97/39/10/1010973910.db2.gz QYWXHECUQMJJTC-FMEYXAORSA-N 2 0 365.449 2.632 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001173191016 1012331798 /nfs/dbraw/zinc/33/17/98/1012331798.db2.gz ZNNGHEUQVGLGSF-CYBMUJFWSA-N 2 0 353.438 2.947 20 5 FFBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001173219631 1012351544 /nfs/dbraw/zinc/35/15/44/1012351544.db2.gz ONARVALBXRIDSY-CZUORRHYSA-N 2 0 366.462 2.705 20 5 FFBDRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000925886385 1017883974 /nfs/dbraw/zinc/88/39/74/1017883974.db2.gz FTGDBBYEBURQQS-PNYFIKQUSA-N 2 0 369.469 2.924 20 5 FFBDRP COc1cc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000903131399 1020694027 /nfs/dbraw/zinc/69/40/27/1020694027.db2.gz RWIFCAQWQUUBBU-CQSZACIVSA-N 2 0 374.441 2.790 20 5 FFBDRP N=C(NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21)SCC[NH3+] ZINC001220106194 1033985916 /nfs/dbraw/zinc/98/59/16/1033985916.db2.gz DYGYAVWOXHCPLC-SFHVURJKSA-N 2 0 366.490 2.606 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001254542888 1040788388 /nfs/dbraw/zinc/78/83/88/1040788388.db2.gz PPUVAKFHEKBVCW-CZUORRHYSA-N 2 0 366.462 2.705 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC001327090259 1047185516 /nfs/dbraw/zinc/18/55/16/1047185516.db2.gz RWAANMYUPCXQRU-HNNXBMFYSA-N 2 0 360.458 2.696 20 5 FFBDRP C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001308039587 1052389924 /nfs/dbraw/zinc/38/99/24/1052389924.db2.gz GYAIJBWHDJGRQC-INIZCTEOSA-N 2 0 356.426 2.969 20 5 FFBDRP CCN1CC[C@@H]1C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462530826 1061659993 /nfs/dbraw/zinc/65/99/93/1061659993.db2.gz LMSNBPINNKIEKU-HXUWFJFHSA-N 2 0 360.502 2.533 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]C2CCN(CCOC)CC2)cc1[N+](=O)[O-] ZINC000153218610 251113551 /nfs/dbraw/zinc/11/35/51/251113551.db2.gz GTFIOHWTJVXFRI-CQSZACIVSA-N 2 0 351.447 2.755 20 5 FFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000129094366 508682088 /nfs/dbraw/zinc/68/20/88/508682088.db2.gz RRUJPDWJIDBPPS-CXAGYDPISA-N 2 0 366.437 2.725 20 5 FFBDRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158506370 508714754 /nfs/dbraw/zinc/71/47/54/508714754.db2.gz WEVLQDDCMGPGIR-IBGZPJMESA-N 2 0 369.469 2.983 20 5 FFBDRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000158872352 508762488 /nfs/dbraw/zinc/76/24/88/508762488.db2.gz CIQYNACYRXVKCD-RBUKOAKNSA-N 2 0 361.486 2.598 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000121124249 509133024 /nfs/dbraw/zinc/13/30/24/509133024.db2.gz CMUHXOSNRLJQAL-FXAWDEMLSA-N 2 0 374.529 2.779 20 5 FFBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180497663 509954943 /nfs/dbraw/zinc/95/49/43/509954943.db2.gz TZPSKPPEJSMHOR-UWJYYQICSA-N 2 0 368.481 2.910 20 5 FFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175732716 510759522 /nfs/dbraw/zinc/75/95/22/510759522.db2.gz BKGBFXCQFXPPOC-ZBFHGGJFSA-N 2 0 351.447 2.644 20 5 FFBDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293877190 510884851 /nfs/dbraw/zinc/88/48/51/510884851.db2.gz SZYNGGNNOCEQCU-UHFFFAOYSA-N 2 0 374.407 2.683 20 5 FFBDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430234399 513594727 /nfs/dbraw/zinc/59/47/27/513594727.db2.gz AAORECJVQAOIJU-UHFFFAOYSA-N 2 0 365.474 2.926 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000449328617 514167965 /nfs/dbraw/zinc/16/79/65/514167965.db2.gz KAMITTSEAHHNTG-OAHLLOKOSA-N 2 0 358.442 2.651 20 5 FFBDRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414990565 514391500 /nfs/dbraw/zinc/39/15/00/514391500.db2.gz ABNZPRXIDGJPDN-WCQYABFASA-N 2 0 373.400 2.854 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000474146941 515904117 /nfs/dbraw/zinc/90/41/17/515904117.db2.gz ZFCGWHGKUGYNAM-UHFFFAOYSA-N 2 0 355.442 2.922 20 5 FFBDRP C[NH+](C)Cc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000563806538 518132863 /nfs/dbraw/zinc/13/28/63/518132863.db2.gz ZOVISGJURFAUEI-UHFFFAOYSA-N 2 0 374.416 2.914 20 5 FFBDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000563900295 518220195 /nfs/dbraw/zinc/22/01/95/518220195.db2.gz DYHVSBHHJUVCTA-HNNXBMFYSA-N 2 0 357.458 2.815 20 5 FFBDRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566229732 519382261 /nfs/dbraw/zinc/38/22/61/519382261.db2.gz MLIHAHPWISUXSB-IAGOWNOFSA-N 2 0 369.469 2.817 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1CC[NH+](CC3CC3)CC1)OCCO2 ZINC000595000862 520251027 /nfs/dbraw/zinc/25/10/27/520251027.db2.gz MHKDUEXWHIERBI-UHFFFAOYSA-N 2 0 361.442 2.578 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493946 520415412 /nfs/dbraw/zinc/41/54/12/520415412.db2.gz WWLSEFSGXPFWDB-IAGOWNOFSA-N 2 0 374.485 2.943 20 5 FFBDRP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000595469668 520491044 /nfs/dbraw/zinc/49/10/44/520491044.db2.gz IUZKHLNZIHBBOC-QGZVFWFLSA-N 2 0 363.458 2.550 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH2+]CC[NH2+]CC3)o2)c(Cl)c1 ZINC000904396486 736248722 /nfs/dbraw/zinc/24/87/22/736248722.db2.gz INUCFNXWPLKXRT-UHFFFAOYSA-N 2 0 364.833 2.503 20 5 FFBDRP CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC[NH2+]CC1 ZINC000843360727 747817609 /nfs/dbraw/zinc/81/76/09/747817609.db2.gz NAICPWSYJFQKQS-UHFFFAOYSA-N 2 0 352.410 2.527 20 5 FFBDRP C[NH+]1CCC2(CC1)CC[NH+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000879249668 1015439113 /nfs/dbraw/zinc/43/91/13/1015439113.db2.gz YCXVTILNGKIMOR-UHFFFAOYSA-N 2 0 360.458 2.731 20 5 FFBDRP CCN(C)[C@@H]1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001184441642 1002601812 /nfs/dbraw/zinc/60/18/12/1002601812.db2.gz YSTJWRDHXUGQSV-OAQYLSRUSA-N 2 0 374.529 2.875 20 5 FFBDRP COCCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170306774 1003120244 /nfs/dbraw/zinc/12/02/44/1003120244.db2.gz BUTMOVPBAPKKHL-OAHLLOKOSA-N 2 0 365.474 2.625 20 5 FFBDRP CC(C)[N@H+](CCC[NH3+])C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011805 1012182195 /nfs/dbraw/zinc/18/21/95/1012182195.db2.gz KGGVIZRWFYUOCL-UHFFFAOYSA-N 2 0 356.417 2.901 20 5 FFBDRP C[C@@H]1CN(C)CC[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014928 1012185949 /nfs/dbraw/zinc/18/59/49/1012185949.db2.gz WOZUKYJIEWLORX-SJKOYZFVSA-N 2 0 368.428 2.772 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1F ZINC001173179431 1012321590 /nfs/dbraw/zinc/32/15/90/1012321590.db2.gz PKGOYWGQDOFAQC-KGLIPLIRSA-N 2 0 353.438 2.995 20 5 FFBDRP COc1cc([C@H](C)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc([N+](=O)[O-])c1 ZINC000903123906 1020690147 /nfs/dbraw/zinc/69/01/47/1020690147.db2.gz CTPURCUYXAYGLV-FASAQXTFSA-N 2 0 363.458 2.632 20 5 FFBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001163129855 1028814846 /nfs/dbraw/zinc/81/48/46/1028814846.db2.gz SAWDNFGLFKDCNE-UHFFFAOYSA-N 2 0 356.430 2.935 20 5 FFBDRP COc1cc(N2CCC([NH2+]CCCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001256085836 1038371490 /nfs/dbraw/zinc/37/14/90/1038371490.db2.gz RXVUZRVFNDKMPK-UHFFFAOYSA-N 2 0 364.490 2.894 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CC[NH2+]CC[C@@H]2C)c1F ZINC001246115570 1039246727 /nfs/dbraw/zinc/24/67/27/1039246727.db2.gz ZZUDEFSJUKLXGR-MELADBBJSA-N 2 0 353.438 2.899 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326276638 1046843765 /nfs/dbraw/zinc/84/37/65/1046843765.db2.gz DDKHMPKRFIQBDF-UHFFFAOYSA-N 2 0 360.458 2.697 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CCC(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000118868061 250412067 /nfs/dbraw/zinc/41/20/67/250412067.db2.gz ZGODWYMUKGRIPA-UHFFFAOYSA-N 2 0 362.474 2.896 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]C2CCN(CCOC)CC2)cc1[N+](=O)[O-] ZINC000153218713 251113986 /nfs/dbraw/zinc/11/39/86/251113986.db2.gz GTFIOHWTJVXFRI-AWEZNQCLSA-N 2 0 351.447 2.755 20 5 FFBDRP CC(C)[NH+]1CCN(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270965490 251672986 /nfs/dbraw/zinc/67/29/86/251672986.db2.gz VOLQGVUJTLJTKL-UHFFFAOYSA-N 2 0 360.502 2.628 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366864600 512224232 /nfs/dbraw/zinc/22/42/32/512224232.db2.gz LMAWRGLVBXKCCG-OAHLLOKOSA-N 2 0 360.458 2.730 20 5 FFBDRP C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000116396990 508507538 /nfs/dbraw/zinc/50/75/38/508507538.db2.gz CEYMVSGNBIKPLM-XJKSGUPXSA-N 2 0 350.463 2.878 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000152908580 508530194 /nfs/dbraw/zinc/53/01/94/508530194.db2.gz WAMAQRXXSDLIOY-CVEARBPZSA-N 2 0 364.490 2.670 20 5 FFBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000154226723 508740879 /nfs/dbraw/zinc/74/08/79/508740879.db2.gz PDTYMEBSWKSDOW-IBGZPJMESA-N 2 0 360.502 2.533 20 5 FFBDRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000158872066 508762223 /nfs/dbraw/zinc/76/22/23/508762223.db2.gz CIQYNACYRXVKCD-OALUTQOASA-N 2 0 361.486 2.598 20 5 FFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245440540 509935323 /nfs/dbraw/zinc/93/53/23/509935323.db2.gz UPSVCKKXTQQYLP-WMLDXEAASA-N 2 0 362.474 2.894 20 5 FFBDRP C[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000180465111 509937831 /nfs/dbraw/zinc/93/78/31/509937831.db2.gz HCRZXFQSOQIXQZ-LAUBAEHRSA-N 2 0 368.481 2.910 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000268962973 510162559 /nfs/dbraw/zinc/16/25/59/510162559.db2.gz XTKZXXZCQCZLRP-RTBURBONSA-N 2 0 361.486 2.742 20 5 FFBDRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000184622184 510422109 /nfs/dbraw/zinc/42/21/09/510422109.db2.gz OEHKPWIMDFYBGN-DNVCBOLYSA-N 2 0 370.453 2.665 20 5 FFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246415086 510478537 /nfs/dbraw/zinc/47/85/37/510478537.db2.gz BKGBFXCQFXPPOC-HOCLYGCPSA-N 2 0 351.447 2.644 20 5 FFBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](Cc2nccn2C)C1 ZINC000247121247 510840027 /nfs/dbraw/zinc/84/00/27/510840027.db2.gz MQOHHRHEPCOFNP-CABCVRRESA-N 2 0 371.441 2.610 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000282401959 510962218 /nfs/dbraw/zinc/96/22/18/510962218.db2.gz RRCHNHCBCGJNNM-HNNXBMFYSA-N 2 0 364.490 2.670 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397484281 512946354 /nfs/dbraw/zinc/94/63/54/512946354.db2.gz ABACCCFPBVZJIG-UHFFFAOYSA-N 2 0 355.438 2.712 20 5 FFBDRP O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000498690783 515027114 /nfs/dbraw/zinc/02/71/14/515027114.db2.gz YUQJTZGINBYTRI-UHFFFAOYSA-N 2 0 359.405 2.753 20 5 FFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000468654878 515455326 /nfs/dbraw/zinc/45/53/26/515455326.db2.gz CZBMEOGXZMIRKS-KZFLWGQDSA-N 2 0 360.502 2.860 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC([C@H]3CCC[NH2+]C3)CC1)OCCO2 ZINC000594735198 520122925 /nfs/dbraw/zinc/12/29/25/520122925.db2.gz HOATVDBLOOZZAW-HNNXBMFYSA-N 2 0 361.442 2.578 20 5 FFBDRP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000594976288 520237873 /nfs/dbraw/zinc/23/78/73/520237873.db2.gz YTJAYEQWZNZNKU-GECPCNCSSA-N 2 0 367.449 2.964 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478717 520407626 /nfs/dbraw/zinc/40/76/26/520407626.db2.gz ITGSKIVCVWQHOH-MAUKXSAKSA-N 2 0 360.458 2.696 20 5 FFBDRP C[NH+](C)CCOc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601149158 520659150 /nfs/dbraw/zinc/65/91/50/520659150.db2.gz KAFYMHBDZRYOMJ-FQEVSTJZSA-N 2 0 373.453 2.533 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900646 520804710 /nfs/dbraw/zinc/80/47/10/520804710.db2.gz IYHXWEGWCTVBBN-KRWDZBQOSA-N 2 0 374.485 2.943 20 5 FFBDRP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000903496711 736102477 /nfs/dbraw/zinc/10/24/77/736102477.db2.gz ZRJPJTDLUYYDCD-GHMZBOCLSA-N 2 0 359.373 2.622 20 5 FFBDRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000922388930 738135625 /nfs/dbraw/zinc/13/56/25/738135625.db2.gz RZBIUCSXAJRUKU-BDXSIMOUSA-N 2 0 367.877 2.818 20 5 FFBDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000817907900 742221854 /nfs/dbraw/zinc/22/18/54/742221854.db2.gz YSEVOSWLCCOGCX-LBPRGKRZSA-N 2 0 369.849 2.659 20 5 FFBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000844903348 748133324 /nfs/dbraw/zinc/13/33/24/748133324.db2.gz XQEUCXROZXHCAV-XGWLTEMNSA-N 2 0 353.850 2.967 20 5 FFBDRP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000873261708 1013449959 /nfs/dbraw/zinc/44/99/59/1013449959.db2.gz QTKUEGNXJSHTNW-NOVWEMISSA-N 2 0 355.442 2.538 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC000877684103 1014675885 /nfs/dbraw/zinc/67/58/85/1014675885.db2.gz GGMCKWPRXGNHKW-UHFFFAOYSA-N 2 0 361.442 2.689 20 5 FFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)C1 ZINC001169019594 1000017584 /nfs/dbraw/zinc/01/75/84/1000017584.db2.gz GSNAMIYUYWHECH-UXHICEINSA-N 2 0 373.497 2.799 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1F ZINC001173175265 1012320013 /nfs/dbraw/zinc/32/00/13/1012320013.db2.gz MJSOQMNBOOCCGC-CYBMUJFWSA-N 2 0 353.438 2.995 20 5 FFBDRP CC1(C)C[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000925848464 1017871446 /nfs/dbraw/zinc/87/14/46/1017871446.db2.gz BCNURZBUILWHKW-PBHICJAKSA-N 2 0 373.453 2.592 20 5 FFBDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)CC1 ZINC001157837780 1029672993 /nfs/dbraw/zinc/67/29/93/1029672993.db2.gz HPQPNPKFAZCSEO-UHFFFAOYSA-N 2 0 369.469 2.607 20 5 FFBDRP COc1ccc(OCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000799178913 1031683499 /nfs/dbraw/zinc/68/34/99/1031683499.db2.gz QTFZVNLQITXIMM-UHFFFAOYSA-N 2 0 363.458 2.790 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@H]3CC[C@@H](C)C[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC001246111247 1039246738 /nfs/dbraw/zinc/24/67/38/1039246738.db2.gz IPBGZKHFIYZNTA-GDBMZVCRSA-N 2 0 362.474 2.550 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001246558631 1039395925 /nfs/dbraw/zinc/39/59/25/1039395925.db2.gz NNNRYOPMYMLWTA-SJKOYZFVSA-N 2 0 357.401 2.826 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC001246561239 1039399395 /nfs/dbraw/zinc/39/93/95/1039399395.db2.gz JPOMULALJUZDSG-HZSPNIEDSA-N 2 0 353.438 2.980 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](Cc3cccnc3)CC1)C2 ZINC001254584722 1040816368 /nfs/dbraw/zinc/81/63/68/1040816368.db2.gz JCDFATBALMLVOZ-FQEVSTJZSA-N 2 0 366.465 2.959 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]CCN3CC=CCC3)CC2)cc1 ZINC001308728948 1052492161 /nfs/dbraw/zinc/49/21/61/1052492161.db2.gz CLSNZICTNMWZPQ-UHFFFAOYSA-N 2 0 372.513 2.701 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000152892857 508529365 /nfs/dbraw/zinc/52/93/65/508529365.db2.gz PMTJVADLMCEBQP-INIZCTEOSA-N 2 0 364.490 2.672 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000154133755 508723503 /nfs/dbraw/zinc/72/35/03/508723503.db2.gz CQMFNIBIPFITIH-HNNXBMFYSA-N 2 0 364.490 2.670 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246546181 510548414 /nfs/dbraw/zinc/54/84/14/510548414.db2.gz AVESPDCOWVNIJK-MAUKXSAKSA-N 2 0 360.458 2.648 20 5 FFBDRP C[NH+]1CCC2(CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)CC1 ZINC000374075257 512650709 /nfs/dbraw/zinc/65/07/09/512650709.db2.gz RKKISCPFLWAEFT-UHFFFAOYSA-N 2 0 371.441 2.953 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420337907 514099183 /nfs/dbraw/zinc/09/91/83/514099183.db2.gz KGIVPCZRRJQGCY-JKSUJKDBSA-N 2 0 360.458 2.553 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468626821 515444104 /nfs/dbraw/zinc/44/41/04/515444104.db2.gz JKVLOQNSLDDQLW-XUDLPTGHSA-N 2 0 360.502 2.861 20 5 FFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000468740937 515497358 /nfs/dbraw/zinc/49/73/58/515497358.db2.gz VERKGYDSJZPMPG-KISGQOJYSA-N 2 0 359.470 2.966 20 5 FFBDRP Cn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506863146 516007918 /nfs/dbraw/zinc/00/79/18/516007918.db2.gz USUPHHJBJJRNQW-UHFFFAOYSA-N 2 0 357.458 2.769 20 5 FFBDRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000511859393 516056517 /nfs/dbraw/zinc/05/65/17/516056517.db2.gz MSBHYOWFQGBCNM-UHFFFAOYSA-N 2 0 374.510 2.906 20 5 FFBDRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000521370496 517708242 /nfs/dbraw/zinc/70/82/42/517708242.db2.gz VVSPKIUYPMQHRK-KRWDZBQOSA-N 2 0 356.426 2.707 20 5 FFBDRP CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H](C[NH3+])C1 ZINC000578443102 518214286 /nfs/dbraw/zinc/21/42/86/518214286.db2.gz VVABVQUQFDGWNO-CYBMUJFWSA-N 2 0 364.833 2.583 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000578533268 518255183 /nfs/dbraw/zinc/25/51/83/518255183.db2.gz ZIEXNGCDWNZOGV-FCEWJHQRSA-N 2 0 374.485 2.544 20 5 FFBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000570389222 518580870 /nfs/dbraw/zinc/58/08/70/518580870.db2.gz WAKHMJPKIOGDTP-UYAOXDASSA-N 2 0 369.421 2.819 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000577394751 519059531 /nfs/dbraw/zinc/05/95/31/519059531.db2.gz BAPYFGOQVFDQCX-MRXNPFEDSA-N 2 0 360.458 2.553 20 5 FFBDRP CSC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[NH+](C)CC1 ZINC000571693983 519224271 /nfs/dbraw/zinc/22/42/71/519224271.db2.gz FGPYYLGKZRYZPJ-CABCVRRESA-N 2 0 367.519 2.692 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492895 520416003 /nfs/dbraw/zinc/41/60/03/520416003.db2.gz GSGLSVLTSAUBAH-IAGOWNOFSA-N 2 0 374.485 2.943 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505294 520515481 /nfs/dbraw/zinc/51/54/81/520515481.db2.gz RMTSDZSXJRZFED-LJQANCHMSA-N 2 0 360.458 2.650 20 5 FFBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593316000 520902694 /nfs/dbraw/zinc/90/26/94/520902694.db2.gz OKTRDCMNEGDRMU-CPUCHLNUSA-N 2 0 353.850 2.967 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC000602653090 521458998 /nfs/dbraw/zinc/45/89/98/521458998.db2.gz ARRRIZSWGJCNOC-UHFFFAOYSA-N 2 0 374.407 2.729 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000872021794 731721157 /nfs/dbraw/zinc/72/11/57/731721157.db2.gz QWNOCZPFGGQZAY-CQSZACIVSA-N 2 0 366.531 2.993 20 5 FFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872024232 731721531 /nfs/dbraw/zinc/72/15/31/731721531.db2.gz ZHPGOSOQKOKPRP-GJZGRUSLSA-N 2 0 366.531 2.993 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872031881 731722597 /nfs/dbraw/zinc/72/25/97/731722597.db2.gz NMIACWCFMDJAGI-CABCVRRESA-N 2 0 352.454 2.658 20 5 FFBDRP O=[N+]([O-])c1ccc(Cl)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903508671 736103888 /nfs/dbraw/zinc/10/38/88/736103888.db2.gz QDWVXXDWWRUBQP-CALCHBBNSA-N 2 0 364.877 2.649 20 5 FFBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccc(C[NH+]4CCCC4)c3)C2)c1 ZINC000877144908 1014488964 /nfs/dbraw/zinc/48/89/64/1014488964.db2.gz ZGEBBKNNZOUVPJ-UHFFFAOYSA-N 2 0 355.442 2.880 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130496197 990164130 /nfs/dbraw/zinc/16/41/30/990164130.db2.gz RQHHCUBFEMVIRU-MRXNPFEDSA-N 2 0 369.469 2.901 20 5 FFBDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000887132836 1009044868 /nfs/dbraw/zinc/04/48/68/1009044868.db2.gz OJEVFCLYYIPRDR-HNNXBMFYSA-N 2 0 369.425 2.529 20 5 FFBDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910830 1012122968 /nfs/dbraw/zinc/12/29/68/1012122968.db2.gz OPAPHFQLCGMYNC-SESVDKBCSA-N 2 0 372.513 2.552 20 5 FFBDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)CC1 ZINC001157838458 1029672953 /nfs/dbraw/zinc/67/29/53/1029672953.db2.gz YMTXDUORSCZPKV-UHFFFAOYSA-N 2 0 369.469 2.607 20 5 FFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421752 1029825985 /nfs/dbraw/zinc/82/59/85/1029825985.db2.gz FSUOAGVAJXLZKI-BHDDXSALSA-N 2 0 359.473 2.826 20 5 FFBDRP Cc1c(C[NH2+]CCc2ccc(N3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC001204111836 1031106268 /nfs/dbraw/zinc/10/62/68/1031106268.db2.gz XZGJTVOOELUNRC-UHFFFAOYSA-N 2 0 368.481 2.987 20 5 FFBDRP O=C(CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001328493506 1048326799 /nfs/dbraw/zinc/32/67/99/1048326799.db2.gz WENHUYXHLMZSRI-UHFFFAOYSA-N 2 0 364.421 2.528 20 5 FFBDRP C[C@@H]1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001474716620 1065587347 /nfs/dbraw/zinc/58/73/47/1065587347.db2.gz QXTASHSOYHETSI-QGZVFWFLSA-N 2 0 361.486 2.960 20 5 FFBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366864599 512224034 /nfs/dbraw/zinc/22/40/34/512224034.db2.gz LMAWRGLVBXKCCG-HNNXBMFYSA-N 2 0 360.458 2.730 20 5 FFBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366884817 512233490 /nfs/dbraw/zinc/23/34/90/512233490.db2.gz ORNPEGMJPZCVMJ-OAHLLOKOSA-N 2 0 360.458 2.730 20 5 FFBDRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000123446414 508688273 /nfs/dbraw/zinc/68/82/73/508688273.db2.gz COFQUPUCOFCFKC-LJQANCHMSA-N 2 0 374.485 2.754 20 5 FFBDRP CC(C)[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC[NH+](C)CC1 ZINC000132411108 509027801 /nfs/dbraw/zinc/02/78/01/509027801.db2.gz WBDWXGKMYFMZCD-TZIWHRDSSA-N 2 0 374.529 2.778 20 5 FFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175732734 510758966 /nfs/dbraw/zinc/75/89/66/510758966.db2.gz BKGBFXCQFXPPOC-GDBMZVCRSA-N 2 0 351.447 2.644 20 5 FFBDRP COCC[NH+](CCOC)C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000285558634 510955142 /nfs/dbraw/zinc/95/51/42/510955142.db2.gz SHPYELRERSOTBH-MRXNPFEDSA-N 2 0 365.474 2.715 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000271121912 511088669 /nfs/dbraw/zinc/08/86/69/511088669.db2.gz JQQCFQPGGNMJJK-RDJZCZTQSA-N 2 0 365.474 2.881 20 5 FFBDRP CC(=O)c1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000367330815 512448318 /nfs/dbraw/zinc/44/83/18/512448318.db2.gz BNBYDMMESQJQBO-BYICEURKSA-N 2 0 372.469 2.545 20 5 FFBDRP O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423010739 514007725 /nfs/dbraw/zinc/00/77/25/514007725.db2.gz HKLJAKDUIYNKCY-QUCCMNQESA-N 2 0 353.422 2.983 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000417338917 514300925 /nfs/dbraw/zinc/30/09/25/514300925.db2.gz ZPOXOYVKTJLEQZ-IBGZPJMESA-N 2 0 360.502 2.978 20 5 FFBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533271379 517377529 /nfs/dbraw/zinc/37/75/29/517377529.db2.gz JAFTXPQMIOSDML-UHFFFAOYSA-N 2 0 362.474 2.894 20 5 FFBDRP Cc1cc(NCC2([NH+]3CCCC3)CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542102781 517383801 /nfs/dbraw/zinc/38/38/01/517383801.db2.gz DVLKGFXRTVOJII-UHFFFAOYSA-N 2 0 370.453 2.930 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000578533267 518254992 /nfs/dbraw/zinc/25/49/92/518254992.db2.gz ZIEXNGCDWNZOGV-BXWFABGCSA-N 2 0 374.485 2.544 20 5 FFBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000579125614 518535404 /nfs/dbraw/zinc/53/54/04/518535404.db2.gz DVNMLSOQEKCZNZ-DJIMGWMZSA-N 2 0 356.426 2.852 20 5 FFBDRP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195499 518947008 /nfs/dbraw/zinc/94/70/08/518947008.db2.gz APUHAJUTOSPKKB-SUOMESGTSA-N 2 0 358.486 2.708 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000568512347 519076441 /nfs/dbraw/zinc/07/64/41/519076441.db2.gz NVKYPJBWSXIJCP-INIZCTEOSA-N 2 0 360.458 2.553 20 5 FFBDRP CC[N@@H+]1CCC[C@@H]1CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000583527217 519294170 /nfs/dbraw/zinc/29/41/70/519294170.db2.gz RTIKRQIXQBCSFK-JNLAIUADSA-N 2 0 360.502 2.956 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876130 519942790 /nfs/dbraw/zinc/94/27/90/519942790.db2.gz FBIBXGWLSOBTMF-UHFFFAOYSA-N 2 0 360.458 2.650 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000595023346 520260954 /nfs/dbraw/zinc/26/09/54/520260954.db2.gz VZVWJHHNSDJOPR-MORSLUCNSA-N 2 0 363.458 2.632 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000592433772 520389181 /nfs/dbraw/zinc/38/91/81/520389181.db2.gz WNDVAYFTCRZBNS-CABCVRRESA-N 2 0 361.442 2.578 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592478842 520406510 /nfs/dbraw/zinc/40/65/10/520406510.db2.gz KBSYNKOONYQHQZ-DOTOQJQBSA-N 2 0 360.458 2.696 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000592492986 520416315 /nfs/dbraw/zinc/41/63/15/520416315.db2.gz LAFKKPKJURYOSQ-JKSUJKDBSA-N 2 0 371.441 2.856 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493036 520417061 /nfs/dbraw/zinc/41/70/61/520417061.db2.gz MUNIEVNUEFMLNL-PMPSAXMXSA-N 2 0 360.458 2.633 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900609 520805046 /nfs/dbraw/zinc/80/50/46/520805046.db2.gz IEADAWXVCBULGL-QGZVFWFLSA-N 2 0 374.485 2.943 20 5 FFBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593316002 520903800 /nfs/dbraw/zinc/90/38/00/520903800.db2.gz OKTRDCMNEGDRMU-VBQJREDUSA-N 2 0 353.850 2.967 20 5 FFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000602019047 521081257 /nfs/dbraw/zinc/08/12/57/521081257.db2.gz DXOGZYPXLKMGAM-CQSZACIVSA-N 2 0 368.437 2.747 20 5 FFBDRP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C[NH+]1CCCCC1 ZINC000602519099 521392283 /nfs/dbraw/zinc/39/22/83/521392283.db2.gz VKTNPDKUSTWYRK-MRXNPFEDSA-N 2 0 361.490 2.670 20 5 FFBDRP C[NH+](C)CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)C ZINC000602547346 521405403 /nfs/dbraw/zinc/40/54/03/521405403.db2.gz SRFRAWGELSWACC-QGZVFWFLSA-N 2 0 363.506 2.915 20 5 FFBDRP CC(C)[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000872020345 731721145 /nfs/dbraw/zinc/72/11/45/731721145.db2.gz GJNAAKDXYZWAGP-PBHICJAKSA-N 2 0 352.454 2.657 20 5 FFBDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036523 731723027 /nfs/dbraw/zinc/72/30/27/731723027.db2.gz TVSPWSXVCHGJPE-UONOGXRCSA-N 2 0 350.438 2.553 20 5 FFBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000832545137 745716988 /nfs/dbraw/zinc/71/69/88/745716988.db2.gz SFZZSVGOTSQRHP-UHFFFAOYSA-N 2 0 354.882 2.754 20 5 FFBDRP CN(CCc1ccccc1[N+](=O)[O-])C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711779437 964264512 /nfs/dbraw/zinc/26/45/12/964264512.db2.gz NKUAKRMBWSVEAM-NRFANRHFSA-N 2 0 369.465 2.706 20 5 FFBDRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)[C@@H]1C(C)C ZINC000922392710 988553441 /nfs/dbraw/zinc/55/34/41/988553441.db2.gz GOGRAJNCOPJJOR-YRXWBPOGSA-N 2 0 365.449 2.693 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCC[C@@H](CO)C3)CC2)cc1 ZINC001179849835 1009470016 /nfs/dbraw/zinc/47/00/16/1009470016.db2.gz KDDDNGHAYFALCB-LJQANCHMSA-N 2 0 361.486 2.554 20 5 FFBDRP CCC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000925855119 1017876996 /nfs/dbraw/zinc/87/69/96/1017876996.db2.gz OISQEYFBBYSQHY-IRXDYDNUSA-N 2 0 361.442 2.711 20 5 FFBDRP C[NH+]1CCC(C[NH+]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC001157848572 1029674667 /nfs/dbraw/zinc/67/46/67/1029674667.db2.gz VSXYOPNTISXMAZ-UHFFFAOYSA-N 2 0 369.469 2.607 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843363262 1031356700 /nfs/dbraw/zinc/35/67/00/1031356700.db2.gz UVFASRNUZDALMQ-XJKSGUPXSA-N 2 0 364.421 2.527 20 5 FFBDRP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246122594 1039248761 /nfs/dbraw/zinc/24/87/61/1039248761.db2.gz XPLJIXAPKGVFSP-STQMWFEESA-N 2 0 368.428 2.677 20 5 FFBDRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246475294 1039365647 /nfs/dbraw/zinc/36/56/47/1039365647.db2.gz CZLQPOJYVJSTBO-CVEARBPZSA-N 2 0 354.401 2.701 20 5 FFBDRP C[NH+]1CCN(c2cccc(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)c2)CC1 ZINC001254573055 1040810460 /nfs/dbraw/zinc/81/04/60/1040810460.db2.gz WCJJZOMZQBZVNW-LJQANCHMSA-N 2 0 366.465 2.604 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001254585141 1040817057 /nfs/dbraw/zinc/81/70/57/1040817057.db2.gz KQJCKZPLRMBBPX-LJQANCHMSA-N 2 0 359.470 2.543 20 5 FFBDRP C[C@H]1C[C@@H](O)C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001462350176 1061590320 /nfs/dbraw/zinc/59/03/20/1061590320.db2.gz FFORYQFGFNXNJG-OXJNMPFZSA-N 2 0 361.486 2.552 20 5 FFBDRP CC[NH+]1CCN([C@H](C)CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000302162904 258092242 /nfs/dbraw/zinc/09/22/42/258092242.db2.gz KHNBNTZIMHCONN-OAHLLOKOSA-N 2 0 357.458 2.889 20 5 FFBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000371335376 512339179 /nfs/dbraw/zinc/33/91/79/512339179.db2.gz JVUMXUPXUYEJOG-XZXOBPBMSA-N 2 0 358.486 2.708 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157289196 508547558 /nfs/dbraw/zinc/54/75/58/508547558.db2.gz YXQNRIWIENUYGN-KRWDZBQOSA-N 2 0 360.458 2.874 20 5 FFBDRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000124334634 508817253 /nfs/dbraw/zinc/81/72/53/508817253.db2.gz ILEKRRCMDPQJAO-HXUWFJFHSA-N 2 0 374.529 2.779 20 5 FFBDRP CC(C)[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC[NH+](C)CC1 ZINC000132411322 509027866 /nfs/dbraw/zinc/02/78/66/509027866.db2.gz WBDWXGKMYFMZCD-CTNGQTDRSA-N 2 0 374.529 2.778 20 5 FFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185879978 509403435 /nfs/dbraw/zinc/40/34/35/509403435.db2.gz QKTJFRLFXVORCM-MRXNPFEDSA-N 2 0 372.469 2.970 20 5 FFBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180497681 509955825 /nfs/dbraw/zinc/95/58/25/509955825.db2.gz TZPSKPPEJSMHOR-UTKZUKDTSA-N 2 0 368.481 2.910 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000271121909 511088879 /nfs/dbraw/zinc/08/88/79/511088879.db2.gz JQQCFQPGGNMJJK-NVXWUHKLSA-N 2 0 365.474 2.881 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000274875404 511972735 /nfs/dbraw/zinc/97/27/35/511972735.db2.gz XIUYKPQCHWLSHB-IRXDYDNUSA-N 2 0 365.474 2.700 20 5 FFBDRP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378300604 512684140 /nfs/dbraw/zinc/68/41/40/512684140.db2.gz BDAKVZOSJKOPOX-UHFFFAOYSA-N 2 0 369.469 2.816 20 5 FFBDRP Cn1ccnc1[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421367508 513237481 /nfs/dbraw/zinc/23/74/81/513237481.db2.gz DXWQLNRCLLABAJ-LEOMRAHMSA-N 2 0 357.458 2.880 20 5 FFBDRP Cn1ccnc1[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421367275 513237987 /nfs/dbraw/zinc/23/79/87/513237987.db2.gz DKIIBXXTBLCPDO-HTWSVDAQSA-N 2 0 357.458 2.880 20 5 FFBDRP COCC(C)(C)[NH+]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000425285961 513491607 /nfs/dbraw/zinc/49/16/07/513491607.db2.gz XSKKCSCAPBWIPP-UHFFFAOYSA-N 2 0 358.442 2.998 20 5 FFBDRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430915655 513780565 /nfs/dbraw/zinc/78/05/65/513780565.db2.gz QSKWPHKIYWHAJR-UHFFFAOYSA-N 2 0 371.384 2.780 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423409457 514132580 /nfs/dbraw/zinc/13/25/80/514132580.db2.gz QDFLMGOIDHQGSU-AWEZNQCLSA-N 2 0 351.447 2.660 20 5 FFBDRP C[C@@H]1CC2(C[N@@H+]1Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC[NH2+]CC2 ZINC000424302108 514451466 /nfs/dbraw/zinc/45/14/66/514451466.db2.gz YYWWNTYHXZYKHM-CYBMUJFWSA-N 2 0 357.414 2.609 20 5 FFBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000504896550 515404007 /nfs/dbraw/zinc/40/40/07/515404007.db2.gz YMRWMTRLLPOJOR-LSDHHAIUSA-N 2 0 353.488 2.512 20 5 FFBDRP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000532476978 516995005 /nfs/dbraw/zinc/99/50/05/516995005.db2.gz XEBUBBSOKXOBRF-CYBMUJFWSA-N 2 0 359.430 2.979 20 5 FFBDRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000592433817 520390197 /nfs/dbraw/zinc/39/01/97/520390197.db2.gz YBIYTEATLBCQHN-CABCVRRESA-N 2 0 363.458 2.824 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592494027 520416079 /nfs/dbraw/zinc/41/60/79/520416079.db2.gz ZMKSBISBKOTHSI-HZPDHXFCSA-N 2 0 360.458 2.553 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492967 520416373 /nfs/dbraw/zinc/41/63/73/520416373.db2.gz JVAUFIOWCXKHLM-CVEARBPZSA-N 2 0 360.458 2.553 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900728 520805776 /nfs/dbraw/zinc/80/57/76/520805776.db2.gz JIJDNWLLSDOAFS-DOTOQJQBSA-N 2 0 374.485 2.942 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901511 520807181 /nfs/dbraw/zinc/80/71/81/520807181.db2.gz XRLDAXUXZCMLIQ-MRXNPFEDSA-N 2 0 360.458 2.553 20 5 FFBDRP O=C(CC[NH2+]CC1CC[NH+](CC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000596066972 520891640 /nfs/dbraw/zinc/89/16/40/520891640.db2.gz IGLPCVJFTIDXGU-UHFFFAOYSA-N 2 0 360.458 2.635 20 5 FFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000602019046 521081280 /nfs/dbraw/zinc/08/12/80/521081280.db2.gz DXOGZYPXLKMGAM-AWEZNQCLSA-N 2 0 368.437 2.747 20 5 FFBDRP CSC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[NH+](C)CC1 ZINC000602666780 521468924 /nfs/dbraw/zinc/46/89/24/521468924.db2.gz KBXBKLGVDMFVIC-UHFFFAOYSA-N 2 0 350.444 2.653 20 5 FFBDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000783631004 738821131 /nfs/dbraw/zinc/82/11/31/738821131.db2.gz WSMAMOAKDRLYIG-AWEZNQCLSA-N 2 0 352.866 2.506 20 5 FFBDRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923501768 738292624 /nfs/dbraw/zinc/29/26/24/738292624.db2.gz VHNXNQQJDDPSSP-MNOVXSKESA-N 2 0 359.373 2.622 20 5 FFBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000844903346 748133198 /nfs/dbraw/zinc/13/31/98/748133198.db2.gz XQEUCXROZXHCAV-VMGRFDJRSA-N 2 0 353.850 2.967 20 5 FFBDRP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000903978397 1016354206 /nfs/dbraw/zinc/35/42/06/1016354206.db2.gz OAYWZISEEDTZCV-VXGBXAGGSA-N 2 0 373.400 2.664 20 5 FFBDRP C[NH+](C)CCOc1cc(-n2c(CC[NH3+])cc3ccccc32)ccc1[N+](=O)[O-] ZINC001171304779 1000897174 /nfs/dbraw/zinc/89/71/74/1000897174.db2.gz XYUKKBIXVZQXDU-UHFFFAOYSA-N 2 0 368.437 2.980 20 5 FFBDRP C[N@H+](CCCC[NH+]1CCCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001197283512 1004162436 /nfs/dbraw/zinc/16/24/36/1004162436.db2.gz CBRGHNDREMBEQU-IBGZPJMESA-N 2 0 374.485 2.898 20 5 FFBDRP COc1cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903064941 1020659985 /nfs/dbraw/zinc/65/99/85/1020659985.db2.gz CBIGZESDGKLCQW-KXBFYZLASA-N 2 0 364.490 2.526 20 5 FFBDRP C[C@H]1CC[C@@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[NH2+]C1 ZINC001246108303 1039245779 /nfs/dbraw/zinc/24/57/79/1039245779.db2.gz UVYGIGRMYHQSQD-JSGCOSHPSA-N 2 0 368.428 2.820 20 5 FFBDRP [NH3+][C@@H]1CCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001246538417 1039388078 /nfs/dbraw/zinc/38/80/78/1039388078.db2.gz BWBZMDCHOCKOKY-GFCCVEGCSA-N 2 0 354.401 2.655 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCOC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246633200 1039421826 /nfs/dbraw/zinc/42/18/26/1039421826.db2.gz FBRQXYUKSPNGEI-ICSRJNTNSA-N 2 0 359.470 2.544 20 5 FFBDRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC001334357106 1049386636 /nfs/dbraw/zinc/38/66/36/1049386636.db2.gz RCLWWAYDIGNSAX-OFQRWUPVSA-N 2 0 363.458 2.774 20 5 FFBDRP CC1(C)CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001353370235 1056340188 /nfs/dbraw/zinc/34/01/88/1056340188.db2.gz QNESWVBTWZJGTC-UHFFFAOYSA-N 2 0 371.441 2.773 20 5 FFBDRP C[N@H+](CC1CC(O)C1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001560761221 1076297702 /nfs/dbraw/zinc/29/77/02/1076297702.db2.gz CKQGIRVIYJKWTG-UHFFFAOYSA-N 2 0 361.486 2.552 20 5 FFBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000271135026 251712192 /nfs/dbraw/zinc/71/21/92/251712192.db2.gz MSXQGCZLWXDQID-JKSUJKDBSA-N 2 0 366.531 2.691 20 5 FFBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000371335375 512338190 /nfs/dbraw/zinc/33/81/90/512338190.db2.gz JVUMXUPXUYEJOG-WSSFADSRSA-N 2 0 358.486 2.708 20 5 FFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000155573257 509030084 /nfs/dbraw/zinc/03/00/84/509030084.db2.gz PADGXTXDQNEGQA-APWZRJJASA-N 2 0 360.502 2.532 20 5 FFBDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000189952181 509850419 /nfs/dbraw/zinc/85/04/19/509850419.db2.gz LREYSRGJQDMBAE-MCPYQZEQSA-N 2 0 357.458 2.538 20 5 FFBDRP C[C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000180465130 509938573 /nfs/dbraw/zinc/93/85/73/509938573.db2.gz HCRZXFQSOQIXQZ-DYESRHJHSA-N 2 0 368.481 2.910 20 5 FFBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000262148731 510192061 /nfs/dbraw/zinc/19/20/61/510192061.db2.gz QSYHHADPTRSXRW-HNNXBMFYSA-N 2 0 372.494 2.803 20 5 FFBDRP C[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1n1ccnc1 ZINC000246656362 510603937 /nfs/dbraw/zinc/60/39/37/510603937.db2.gz CUWYJEIZQZVJPM-XJKSGUPXSA-N 2 0 368.397 2.924 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000430238335 513595522 /nfs/dbraw/zinc/59/55/22/513595522.db2.gz LDCBPJHAASOVDW-UHFFFAOYSA-N 2 0 363.458 2.680 20 5 FFBDRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000442926737 513816526 /nfs/dbraw/zinc/81/65/26/513816526.db2.gz ZYUMTMIUVGOBCH-GFCCVEGCSA-N 2 0 373.400 2.808 20 5 FFBDRP C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000417315668 514290024 /nfs/dbraw/zinc/29/00/24/514290024.db2.gz SQQYJHKYNACWGX-UZLBHIALSA-N 2 0 360.502 2.835 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470955780 514691371 /nfs/dbraw/zinc/69/13/71/514691371.db2.gz OOLVCLYVRHIBBZ-KRWDZBQOSA-N 2 0 374.485 2.896 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470972875 514701588 /nfs/dbraw/zinc/70/15/88/514701588.db2.gz BBLAXIRDIYIFJR-KRWDZBQOSA-N 2 0 374.485 2.896 20 5 FFBDRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467839942 515143339 /nfs/dbraw/zinc/14/33/39/515143339.db2.gz FXPOGFMFDOTFOF-QGZVFWFLSA-N 2 0 369.469 2.853 20 5 FFBDRP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000532476979 516993318 /nfs/dbraw/zinc/99/33/18/516993318.db2.gz XEBUBBSOKXOBRF-ZDUSSCGKSA-N 2 0 359.430 2.979 20 5 FFBDRP CC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000557406395 517991456 /nfs/dbraw/zinc/99/14/56/517991456.db2.gz IPSNHFBKRFMLPZ-UHFFFAOYSA-N 2 0 357.458 2.817 20 5 FFBDRP CC[N@@H+]1CCC[C@@H]1CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000583527219 519294423 /nfs/dbraw/zinc/29/44/23/519294423.db2.gz RTIKRQIXQBCSFK-QPGLYAHGSA-N 2 0 360.502 2.956 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900730 520804850 /nfs/dbraw/zinc/80/48/50/520804850.db2.gz JIJDNWLLSDOAFS-RDJZCZTQSA-N 2 0 374.485 2.942 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901458 520807928 /nfs/dbraw/zinc/80/79/28/520807928.db2.gz WMKUHIUDAYCZPB-KRWDZBQOSA-N 2 0 374.485 2.943 20 5 FFBDRP O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)nc2c1 ZINC000602704076 521487409 /nfs/dbraw/zinc/48/74/09/521487409.db2.gz BXFOXDWVJJOYOP-UHFFFAOYSA-N 2 0 374.441 2.717 20 5 FFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615724211 521512639 /nfs/dbraw/zinc/51/26/39/521512639.db2.gz WBXFULGDAWYJTP-XSVZSIDJSA-N 2 0 358.486 2.756 20 5 FFBDRP O=[N+]([O-])c1ccc2[nH]c(CN3CCCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000602847102 521567463 /nfs/dbraw/zinc/56/74/63/521567463.db2.gz SOSJNBZSJPHTJY-UHFFFAOYSA-N 2 0 352.398 2.578 20 5 FFBDRP C[NH+](C)C[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000866012259 731021355 /nfs/dbraw/zinc/02/13/55/731021355.db2.gz VYYOGLLLIYHAJC-VXGBXAGGSA-N 2 0 358.845 2.563 20 5 FFBDRP COc1cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000873222323 1013434511 /nfs/dbraw/zinc/43/45/11/1013434511.db2.gz MOZPGYTVOQTBFA-NSHDSACASA-N 2 0 373.400 2.725 20 5 FFBDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877665870 1014668380 /nfs/dbraw/zinc/66/83/80/1014668380.db2.gz MLCJIHVSHAORBM-BJMVHTGZSA-N 2 0 369.469 2.853 20 5 FFBDRP CCOc1cc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000879127491 1015376148 /nfs/dbraw/zinc/37/61/48/1015376148.db2.gz XKYXURUDZXJHHU-UHFFFAOYSA-N 2 0 365.474 2.784 20 5 FFBDRP Cc1c(C[C@H](C[NH3+])C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1C ZINC000903886982 1016289340 /nfs/dbraw/zinc/28/93/40/1016289340.db2.gz WEBGZPCEYZLULY-QGZVFWFLSA-N 2 0 359.474 2.665 20 5 FFBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000819015667 1008023666 /nfs/dbraw/zinc/02/36/66/1008023666.db2.gz MZCXRZIISUKCMA-RXVVDRJESA-N 2 0 369.465 2.782 20 5 FFBDRP C[NH+]1CCN(c2ccc(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC001179829302 1009475503 /nfs/dbraw/zinc/47/55/03/1009475503.db2.gz BOSNDWSZJYBWJA-UHFFFAOYSA-N 2 0 354.454 2.679 20 5 FFBDRP C[N@H+](C[C@H]1CCOC1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180219276 1009597181 /nfs/dbraw/zinc/59/71/81/1009597181.db2.gz LVKZAYTVHGUPEZ-LJQANCHMSA-N 2 0 361.486 2.818 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC001118263472 1022147786 /nfs/dbraw/zinc/14/77/86/1022147786.db2.gz GHSFPWOZIVZPMF-UHFFFAOYSA-N 2 0 360.458 2.697 20 5 FFBDRP Cc1nn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755780075 1023635251 /nfs/dbraw/zinc/63/52/51/1023635251.db2.gz MJDOGPFGCMEUNC-INIZCTEOSA-N 2 0 357.458 2.874 20 5 FFBDRP COc1ccc(C[C@H](C)[NH+]2CCC(C3=CC=C(N)C[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC001246494724 1039370371 /nfs/dbraw/zinc/37/03/71/1039370371.db2.gz KZPQTWVZFMVSKA-AWEZNQCLSA-N 2 0 372.469 2.576 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3CCC[C@]34CCC[NH2+]C4)CC2)ccc1[N+](=O)[O-] ZINC001246607642 1039412542 /nfs/dbraw/zinc/41/25/42/1039412542.db2.gz HCILMXCHDBYXQX-FQEVSTJZSA-N 2 0 374.485 2.790 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001254585139 1040815931 /nfs/dbraw/zinc/81/59/31/1040815931.db2.gz KQJCKZPLRMBBPX-IBGZPJMESA-N 2 0 359.470 2.543 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC001254585179 1040816291 /nfs/dbraw/zinc/81/62/91/1040816291.db2.gz LFOHKGICXHEUPF-SFHVURJKSA-N 2 0 359.470 2.543 20 5 FFBDRP CN(CC[N@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001474502917 1065535898 /nfs/dbraw/zinc/53/58/98/1065535898.db2.gz DWNHAHBKTITOFO-UHFFFAOYSA-N 2 0 374.529 2.875 20 5 FFBDRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000366890209 512235343 /nfs/dbraw/zinc/23/53/43/512235343.db2.gz YIRBHTBJGPINTE-UHFFFAOYSA-N 2 0 360.458 2.731 20 5 FFBDRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000072718497 507846339 /nfs/dbraw/zinc/84/63/39/507846339.db2.gz NZYHBHOXTFNXSC-INIZCTEOSA-N 2 0 360.458 2.731 20 5 FFBDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072823350 507858026 /nfs/dbraw/zinc/85/80/26/507858026.db2.gz OGKRAVCVCIMUAU-MRXNPFEDSA-N 2 0 362.474 2.896 20 5 FFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081095210 508136949 /nfs/dbraw/zinc/13/69/49/508136949.db2.gz PAIWRGMEBYZRNU-CRAIPNDOSA-N 2 0 362.474 2.894 20 5 FFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000081095538 508137286 /nfs/dbraw/zinc/13/72/86/508137286.db2.gz UPSVCKKXTQQYLP-RHSMWYFYSA-N 2 0 362.474 2.894 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000152908673 508530301 /nfs/dbraw/zinc/53/03/01/508530301.db2.gz WAMAQRXXSDLIOY-JKSUJKDBSA-N 2 0 364.490 2.670 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000153620031 508609970 /nfs/dbraw/zinc/60/99/70/508609970.db2.gz WCULJKIRRVOEFU-INIZCTEOSA-N 2 0 364.490 2.672 20 5 FFBDRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000123446628 508688198 /nfs/dbraw/zinc/68/81/98/508688198.db2.gz COFQUPUCOFCFKC-IBGZPJMESA-N 2 0 374.485 2.754 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139917218 508796699 /nfs/dbraw/zinc/79/66/99/508796699.db2.gz AVESPDCOWVNIJK-CRAIPNDOSA-N 2 0 360.458 2.648 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150776298 508890926 /nfs/dbraw/zinc/89/09/26/508890926.db2.gz UHBCWSASHYYVLI-MRXNPFEDSA-N 2 0 360.458 2.650 20 5 FFBDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000248949054 509552200 /nfs/dbraw/zinc/55/22/00/509552200.db2.gz DWFVBNFXFMBOIX-MNZLEMJZSA-N 2 0 357.458 2.538 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cccc1[N+](=O)[O-] ZINC000285353012 510872964 /nfs/dbraw/zinc/87/29/64/510872964.db2.gz BAMYTLHCZGFAQU-XYPWUTKMSA-N 2 0 360.458 2.789 20 5 FFBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000271064064 511073743 /nfs/dbraw/zinc/07/37/43/511073743.db2.gz CQTCLIVDDQMADD-AWEZNQCLSA-N 2 0 353.488 2.512 20 5 FFBDRP Cn1ccnc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000365627906 511568800 /nfs/dbraw/zinc/56/88/00/511568800.db2.gz KQGFYKQEWLSXPW-CQSZACIVSA-N 2 0 357.414 2.537 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000274875405 511973099 /nfs/dbraw/zinc/97/30/99/511973099.db2.gz XIUYKPQCHWLSHB-SJORKVTESA-N 2 0 365.474 2.700 20 5 FFBDRP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423042369 514016277 /nfs/dbraw/zinc/01/62/77/514016277.db2.gz KVOYMFWQEGWHIX-OWCLPIDISA-N 2 0 353.850 2.537 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340626 514101184 /nfs/dbraw/zinc/10/11/84/514101184.db2.gz MXOBJYSKCYLYNQ-CVEARBPZSA-N 2 0 360.458 2.553 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420387044 514122303 /nfs/dbraw/zinc/12/23/03/514122303.db2.gz GGCRIUDADJZYCU-CRAIPNDOSA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420387711 514123063 /nfs/dbraw/zinc/12/30/63/514123063.db2.gz GMQCYCBYGGHIRL-CRAIPNDOSA-N 2 0 360.458 2.696 20 5 FFBDRP CCOc1cc(N2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000414759366 514278023 /nfs/dbraw/zinc/27/80/23/514278023.db2.gz WGIKMUUUUNWFFR-HZPDHXFCSA-N 2 0 362.474 2.504 20 5 FFBDRP C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000417315658 514290290 /nfs/dbraw/zinc/29/02/90/514290290.db2.gz SQQYJHKYNACWGX-OXJNMPFZSA-N 2 0 360.502 2.835 20 5 FFBDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417318108 514291667 /nfs/dbraw/zinc/29/16/67/514291667.db2.gz XYVXAAZRPMGDPZ-HXUWFJFHSA-N 2 0 360.502 2.978 20 5 FFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417319288 514292953 /nfs/dbraw/zinc/29/29/53/514292953.db2.gz HMDIQTIKAOSCNW-OXQOHEQNSA-N 2 0 360.502 2.978 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468626819 515442875 /nfs/dbraw/zinc/44/28/75/515442875.db2.gz JKVLOQNSLDDQLW-WQJNHMDYSA-N 2 0 360.502 2.861 20 5 FFBDRP CN(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000572732062 518336282 /nfs/dbraw/zinc/33/62/82/518336282.db2.gz PJVAZPMSLYGULX-ZWKOTPCHSA-N 2 0 357.458 2.997 20 5 FFBDRP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594976282 520238761 /nfs/dbraw/zinc/23/87/61/520238761.db2.gz YIHRMRMDVRHTRA-LJQANCHMSA-N 2 0 355.438 2.760 20 5 FFBDRP COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000595001062 520251557 /nfs/dbraw/zinc/25/15/57/520251557.db2.gz PVDVHMQMMXWTKK-UHFFFAOYSA-N 2 0 363.458 2.824 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000595007479 520254389 /nfs/dbraw/zinc/25/43/89/520254389.db2.gz OEVJQLGTRDBTIL-CRAIPNDOSA-N 2 0 364.490 2.526 20 5 FFBDRP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592492945 520416351 /nfs/dbraw/zinc/41/63/51/520416351.db2.gz ISXTWSBTNYKVMV-HZPDHXFCSA-N 2 0 363.458 2.694 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901566 520807908 /nfs/dbraw/zinc/80/79/08/520807908.db2.gz YCFUHQMLAHWIKP-QGZVFWFLSA-N 2 0 374.485 2.943 20 5 FFBDRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892563024 734573530 /nfs/dbraw/zinc/57/35/30/734573530.db2.gz ONYVWAFCWLMTKC-UHFFFAOYSA-N 2 0 354.882 2.756 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892927214 734624732 /nfs/dbraw/zinc/62/47/32/734624732.db2.gz CFWWWSURXUXWGK-AWEZNQCLSA-N 2 0 354.882 2.611 20 5 FFBDRP C[N@H+](CC1CC[NH+](C)CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774628584 738007086 /nfs/dbraw/zinc/00/70/86/738007086.db2.gz XSDKBICVTGCLRS-UHFFFAOYSA-N 2 0 351.838 2.829 20 5 FFBDRP Cc1c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000873102215 1013386035 /nfs/dbraw/zinc/38/60/35/1013386035.db2.gz MNDVIXICFALGDN-LJQANCHMSA-N 2 0 355.438 2.760 20 5 FFBDRP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000873262396 1013450827 /nfs/dbraw/zinc/45/08/27/1013450827.db2.gz YNAJRNFCDQQYDT-NOVWEMISSA-N 2 0 355.442 2.538 20 5 FFBDRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000922394093 988555129 /nfs/dbraw/zinc/55/51/29/988555129.db2.gz UQMNQMNQMNXRAM-RSPOEFSDSA-N 2 0 361.486 2.863 20 5 FFBDRP O=C(CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000886874717 1008910479 /nfs/dbraw/zinc/91/04/79/1008910479.db2.gz UYOIQJYQXIWEQR-SFHVURJKSA-N 2 0 364.421 2.528 20 5 FFBDRP C[NH+](C)C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000866011490 1010906356 /nfs/dbraw/zinc/90/63/56/1010906356.db2.gz FEBYSKJRWGFYSP-CHWSQXEVSA-N 2 0 374.407 2.789 20 5 FFBDRP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000866226188 1010955547 /nfs/dbraw/zinc/95/55/47/1010955547.db2.gz HCLLTTOKXJVHMZ-HNAYVOBHSA-N 2 0 366.481 2.527 20 5 FFBDRP CCN1CCC[C@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007421 1012176518 /nfs/dbraw/zinc/17/65/18/1012176518.db2.gz OLQDLMKLUMMAIH-AWEZNQCLSA-N 2 0 368.428 2.916 20 5 FFBDRP [NH3+]C1CC[NH+](CCc2cn(-c3cc([N+](=O)[O-])ccn3)c3ccccc23)CC1 ZINC001159460644 1027398454 /nfs/dbraw/zinc/39/84/54/1027398454.db2.gz WDLYKLQWBZJWRT-UHFFFAOYSA-N 2 0 365.437 2.899 20 5 FFBDRP [NH3+]CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000843376753 1031363512 /nfs/dbraw/zinc/36/35/12/1031363512.db2.gz DJBYVMWBWNHXGG-UHFFFAOYSA-N 2 0 374.416 2.914 20 5 FFBDRP COc1cc(N2CCC([NH2+]CC34CC[NH+](CC3)CC4)CC2)ccc1[N+](=O)[O-] ZINC001256090489 1038375009 /nfs/dbraw/zinc/37/50/09/1038375009.db2.gz VEUJCCVCMGHIJS-UHFFFAOYSA-N 2 0 374.485 2.648 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)c1F ZINC001246097848 1039244160 /nfs/dbraw/zinc/24/41/60/1039244160.db2.gz OTOCKVWQESBBJW-RDBSUJKOSA-N 2 0 353.438 2.899 20 5 FFBDRP Cc1c(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291519 1040063438 /nfs/dbraw/zinc/06/34/38/1040063438.db2.gz HEMYMUHAWYXRQX-UHFFFAOYSA-N 2 0 372.385 2.702 20 5 FFBDRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581124 1040814743 /nfs/dbraw/zinc/81/47/43/1040814743.db2.gz KSUMIGDIGFNANT-SFHVURJKSA-N 2 0 355.438 2.792 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000152832722 251073258 /nfs/dbraw/zinc/07/32/58/251073258.db2.gz WYPHOXOGVITGPV-HNNXBMFYSA-N 2 0 364.490 2.670 20 5 FFBDRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000072720094 507847283 /nfs/dbraw/zinc/84/72/83/507847283.db2.gz CLODKSJNMAWUAP-MRXNPFEDSA-N 2 0 360.458 2.731 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090038819 507903851 /nfs/dbraw/zinc/90/38/51/507903851.db2.gz NJNPKBNXGPKTOR-OAHLLOKOSA-N 2 0 370.453 2.737 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000140049957 508798978 /nfs/dbraw/zinc/79/89/78/508798978.db2.gz DXPAQWSPXZTRNV-QAPCUYQASA-N 2 0 360.458 2.648 20 5 FFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185867057 509395005 /nfs/dbraw/zinc/39/50/05/509395005.db2.gz ZJKUZQHDPDTWDC-MRXNPFEDSA-N 2 0 372.469 2.970 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262107113 510178745 /nfs/dbraw/zinc/17/87/45/510178745.db2.gz JSMFGJXIZCXISC-KRWDZBQOSA-N 2 0 372.494 2.803 20 5 FFBDRP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175012954 510436338 /nfs/dbraw/zinc/43/63/38/510436338.db2.gz ZNDGVASYFSFNGK-FUHWJXTLSA-N 2 0 357.458 2.958 20 5 FFBDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178224269 510497024 /nfs/dbraw/zinc/49/70/24/510497024.db2.gz YKPQEDGBNNRRSS-HNNXBMFYSA-N 2 0 355.442 2.592 20 5 FFBDRP C[NH+]1CCC2(CCC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CC1 ZINC000374075227 512650791 /nfs/dbraw/zinc/65/07/91/512650791.db2.gz RBAROOAJMQOLIW-SFHVURJKSA-N 2 0 372.469 2.508 20 5 FFBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)CC1 ZINC000370624068 513021160 /nfs/dbraw/zinc/02/11/60/513021160.db2.gz GOTWQTBXNGWYNZ-UYAOXDASSA-N 2 0 372.513 2.674 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422742837 513919209 /nfs/dbraw/zinc/91/92/09/513919209.db2.gz QTLOKWPQDDOBQF-ICSRJNTNSA-N 2 0 353.422 2.983 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000449086718 514067255 /nfs/dbraw/zinc/06/72/55/514067255.db2.gz SMZLOPURXAQVNA-OAHLLOKOSA-N 2 0 355.442 2.785 20 5 FFBDRP CCC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423449204 514144032 /nfs/dbraw/zinc/14/40/32/514144032.db2.gz FZWBCCSAYLJHND-GGPKGHCWSA-N 2 0 374.485 2.672 20 5 FFBDRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417300246 514282703 /nfs/dbraw/zinc/28/27/03/514282703.db2.gz ACJRQTGEETXVIU-VQIMIIECSA-N 2 0 374.485 2.539 20 5 FFBDRP COc1cc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415054043 514418621 /nfs/dbraw/zinc/41/86/21/514418621.db2.gz LFOOMEMNYHIZAA-PIGZYNQJSA-N 2 0 373.400 2.664 20 5 FFBDRP CC[NH+]1CCC(N2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000420984122 514421705 /nfs/dbraw/zinc/42/17/05/514421705.db2.gz SLIVDFXMHFLSLP-UHFFFAOYSA-N 2 0 360.502 2.629 20 5 FFBDRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000524370327 516702886 /nfs/dbraw/zinc/70/28/86/516702886.db2.gz DSIYIDNXQSVKHN-UHFFFAOYSA-N 2 0 373.400 2.978 20 5 FFBDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000548761169 517195791 /nfs/dbraw/zinc/19/57/91/517195791.db2.gz LACALNCSLNLMCC-IYBDPMFKSA-N 2 0 362.474 2.881 20 5 FFBDRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])ccn2)CC1 ZINC000521272271 517677560 /nfs/dbraw/zinc/67/75/60/517677560.db2.gz WPKPDMUAWULZPC-GOSISDBHSA-N 2 0 367.453 2.519 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000589505950 519019540 /nfs/dbraw/zinc/01/95/40/519019540.db2.gz RXBUTUCJHSEMOL-GUYCJALGSA-N 2 0 358.398 2.661 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000589505987 519019848 /nfs/dbraw/zinc/01/98/48/519019848.db2.gz SVUPVLKBWIWCPX-YJBOKZPZSA-N 2 0 373.453 2.830 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000589505949 519020018 /nfs/dbraw/zinc/02/00/18/519020018.db2.gz RXBUTUCJHSEMOL-DYVFJYSZSA-N 2 0 358.398 2.661 20 5 FFBDRP O=[N+]([O-])c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000594952950 520228501 /nfs/dbraw/zinc/22/85/01/520228501.db2.gz GAKSCJLLLHJMOT-UHFFFAOYSA-N 2 0 351.422 2.715 20 5 FFBDRP Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594976281 520238508 /nfs/dbraw/zinc/23/85/08/520238508.db2.gz YIHRMRMDVRHTRA-IBGZPJMESA-N 2 0 355.438 2.760 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505023 520515242 /nfs/dbraw/zinc/51/52/42/520515242.db2.gz PKTZHOBACJDRJO-LJQANCHMSA-N 2 0 360.458 2.650 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000595900358 520804674 /nfs/dbraw/zinc/80/46/74/520804674.db2.gz DBUJNHSPUOYBEO-INIZCTEOSA-N 2 0 371.441 2.856 20 5 FFBDRP COc1ccc(OCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000595901415 520807137 /nfs/dbraw/zinc/80/71/37/520807137.db2.gz VJNPCLWYAOBNJB-MRXNPFEDSA-N 2 0 363.458 2.694 20 5 FFBDRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593320725 520908267 /nfs/dbraw/zinc/90/82/67/520908267.db2.gz FENSVCNIWAJLPI-CQSZACIVSA-N 2 0 356.426 2.821 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000611248098 521055723 /nfs/dbraw/zinc/05/57/23/521055723.db2.gz RYXVJDYXWIPFCG-HNNXBMFYSA-N 2 0 364.490 2.670 20 5 FFBDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602504070 521383752 /nfs/dbraw/zinc/38/37/52/521383752.db2.gz RPBSHHOMAIWHMW-MRXNPFEDSA-N 2 0 361.490 2.813 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000872021933 731721287 /nfs/dbraw/zinc/72/12/87/731721287.db2.gz GJQUZHQVAIFIFJ-OAHLLOKOSA-N 2 0 366.531 2.995 20 5 FFBDRP CC(C)[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000872020346 731721419 /nfs/dbraw/zinc/72/14/19/731721419.db2.gz GJNAAKDXYZWAGP-RHSMWYFYSA-N 2 0 352.454 2.657 20 5 FFBDRP O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508683 736103853 /nfs/dbraw/zinc/10/38/53/736103853.db2.gz QMHVNVUOJWTIFG-CALCHBBNSA-N 2 0 364.877 2.649 20 5 FFBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000825275517 743239367 /nfs/dbraw/zinc/23/93/67/743239367.db2.gz REXUZMBQKZNRCH-UHFFFAOYSA-N 2 0 354.882 2.754 20 5 FFBDRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CC[NH3+] ZINC000846225409 748434101 /nfs/dbraw/zinc/43/41/01/748434101.db2.gz ASPDCUZDUIFHTI-MLGOLLRUSA-N 2 0 352.410 2.512 20 5 FFBDRP C[C@@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@H+](C)Cc1ccccc1 ZINC000877079674 1014470702 /nfs/dbraw/zinc/47/07/02/1014470702.db2.gz ITHJLSISUDDYOG-ZLPCBKJTSA-N 2 0 357.458 2.995 20 5 FFBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449024 991147750 /nfs/dbraw/zinc/14/77/50/991147750.db2.gz JPWRFARGXVLYLI-QGZVFWFLSA-N 2 0 363.458 2.712 20 5 FFBDRP COc1ccc(C[C@@H](C)[N@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170317451 1003107761 /nfs/dbraw/zinc/10/77/61/1003107761.db2.gz ITLUYHQHJFYQCW-FVQBIDKESA-N 2 0 363.458 2.505 20 5 FFBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000819016292 1008024887 /nfs/dbraw/zinc/02/48/87/1008024887.db2.gz WUNFZMFPRUVYMT-RXVVDRJESA-N 2 0 369.465 2.782 20 5 FFBDRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccccc1C[N+](C)(C)CC ZINC001162733610 1028638744 /nfs/dbraw/zinc/63/87/44/1028638744.db2.gz PVWSUZMIJWFRGZ-IBGZPJMESA-N 2 0 350.527 2.826 20 5 FFBDRP Cc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782947198 1029860416 /nfs/dbraw/zinc/86/04/16/1029860416.db2.gz FAMDSBZHOXJCSY-KRWDZBQOSA-N 2 0 370.453 2.929 20 5 FFBDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979125 1033441327 /nfs/dbraw/zinc/44/13/27/1033441327.db2.gz DCCLGTCSNASVAG-INIZCTEOSA-N 2 0 351.454 2.781 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256085215 1038371417 /nfs/dbraw/zinc/37/14/17/1038371417.db2.gz LSIBMBZDGGGKCU-OAHLLOKOSA-N 2 0 362.474 2.504 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1N1CC[NH2+]CC1 ZINC001246318481 1039313539 /nfs/dbraw/zinc/31/35/39/1039313539.db2.gz JYAHYVVQLVJXLI-MRXNPFEDSA-N 2 0 354.454 2.725 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC001246561244 1039399981 /nfs/dbraw/zinc/39/99/81/1039399981.db2.gz JPOMULALJUZDSG-MELADBBJSA-N 2 0 353.438 2.980 20 5 FFBDRP [NH3+]CCCC[C@H]([NH3+])Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248223507 1040181931 /nfs/dbraw/zinc/18/19/31/1040181931.db2.gz LBHNLWKOZFWJPP-HNNXBMFYSA-N 2 0 362.437 2.832 20 5 FFBDRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254469922 1040736703 /nfs/dbraw/zinc/73/67/03/1040736703.db2.gz JLDFLRACKCLCRK-JCNLHEQBSA-N 2 0 374.485 2.534 20 5 FFBDRP CO[C@H]1C[C@H](C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001308916758 1052518564 /nfs/dbraw/zinc/51/85/64/1052518564.db2.gz CVGAPTFQYHCZLL-KESTWPANSA-N 2 0 361.486 2.864 20 5 FFBDRP C[C@@]1(O)CCC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001474360722 1065501628 /nfs/dbraw/zinc/50/16/28/1065501628.db2.gz DBILIDKXWDQEGP-HXUWFJFHSA-N 2 0 361.486 2.696 20 5 FFBDRP C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000279134976 256385519 /nfs/dbraw/zinc/38/55/19/256385519.db2.gz RHIIAZJICQPVQU-BEFAXECRSA-N 2 0 360.502 2.790 20 5 FFBDRP C[N@@H+]1CCC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@H]21 ZINC000246541522 510546611 /nfs/dbraw/zinc/54/66/11/510546611.db2.gz AQULGWWXIFFQHG-GDBMZVCRSA-N 2 0 357.414 2.561 20 5 FFBDRP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292212266 511507973 /nfs/dbraw/zinc/50/79/73/511507973.db2.gz UESHDRGNVAKQTG-ACJLOTCBSA-N 2 0 357.414 2.733 20 5 FFBDRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284238636 511652682 /nfs/dbraw/zinc/65/26/82/511652682.db2.gz UYOGFRHFKXDCNQ-AWEZNQCLSA-N 2 0 358.442 2.968 20 5 FFBDRP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422781920 513930602 /nfs/dbraw/zinc/93/06/02/513930602.db2.gz FPMKTPZPTLEKLP-FXAWDEMLSA-N 2 0 353.422 2.983 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000449108425 514075796 /nfs/dbraw/zinc/07/57/96/514075796.db2.gz QPBQUUITQLMQGZ-MRXNPFEDSA-N 2 0 360.502 2.674 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420337903 514099528 /nfs/dbraw/zinc/09/95/28/514099528.db2.gz KGIVPCZRRJQGCY-HOTGVXAUSA-N 2 0 360.458 2.553 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420344289 514101767 /nfs/dbraw/zinc/10/17/67/514101767.db2.gz SNZJELLNLMEZPY-HRCADAONSA-N 2 0 360.458 2.552 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000420346226 514103877 /nfs/dbraw/zinc/10/38/77/514103877.db2.gz XUAMKTOTPXNKLO-KRWDZBQOSA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420387719 514122343 /nfs/dbraw/zinc/12/23/43/514122343.db2.gz GMQCYCBYGGHIRL-QAPCUYQASA-N 2 0 360.458 2.696 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCC2 ZINC000423508997 514155536 /nfs/dbraw/zinc/15/55/36/514155536.db2.gz LVJJVMJLWKKIKO-UHYCVJNDSA-N 2 0 358.486 2.778 20 5 FFBDRP CC(C)c1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000414986640 514388791 /nfs/dbraw/zinc/38/87/91/514388791.db2.gz NWRHHNIQYOMOMO-INIZCTEOSA-N 2 0 374.407 2.644 20 5 FFBDRP [NH3+]C1(CNCc2csc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415139949 514465250 /nfs/dbraw/zinc/46/52/50/514465250.db2.gz YBYXERHEXVRFPU-UHFFFAOYSA-N 2 0 360.483 2.739 20 5 FFBDRP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494600344 515893719 /nfs/dbraw/zinc/89/37/19/515893719.db2.gz JFSALYJYVWLHSO-UHFFFAOYSA-N 2 0 373.400 2.679 20 5 FFBDRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])ccn2)CC1 ZINC000521272272 517676767 /nfs/dbraw/zinc/67/67/67/517676767.db2.gz WPKPDMUAWULZPC-SFHVURJKSA-N 2 0 367.453 2.519 20 5 FFBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589196697 518946793 /nfs/dbraw/zinc/94/67/93/518946793.db2.gz UARMADJTFWQHRK-QGZVFWFLSA-N 2 0 352.454 2.582 20 5 FFBDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cn2)CC1 ZINC000566473489 519511816 /nfs/dbraw/zinc/51/18/16/519511816.db2.gz BKYFLCLCCSTOKV-GOSISDBHSA-N 2 0 367.453 2.519 20 5 FFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000595101905 520294568 /nfs/dbraw/zinc/29/45/68/520294568.db2.gz GGWIDBVEPNKSMZ-MSOLQXFVSA-N 2 0 361.490 2.987 20 5 FFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000595101908 520295046 /nfs/dbraw/zinc/29/50/46/520295046.db2.gz GGWIDBVEPNKSMZ-ZWKOTPCHSA-N 2 0 361.490 2.987 20 5 FFBDRP COc1cc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000601335857 520745177 /nfs/dbraw/zinc/74/51/77/520745177.db2.gz YWTNCMCIJFYJQL-WCQYABFASA-N 2 0 371.384 2.779 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901459 520807349 /nfs/dbraw/zinc/80/73/49/520807349.db2.gz WMKUHIUDAYCZPB-QGZVFWFLSA-N 2 0 374.485 2.943 20 5 FFBDRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000596653880 521192500 /nfs/dbraw/zinc/19/25/00/521192500.db2.gz MBCKTARZXKAZAO-HNNXBMFYSA-N 2 0 362.474 2.544 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000872033408 731722606 /nfs/dbraw/zinc/72/26/06/731722606.db2.gz GRCLEUJSUHOTJM-ZIAGYGMSSA-N 2 0 352.504 2.603 20 5 FFBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000844902200 748131973 /nfs/dbraw/zinc/13/19/73/748131973.db2.gz KZGIVXHBXUNEKP-QEORTHHSSA-N 2 0 353.850 2.967 20 5 FFBDRP COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC[NH+](C)CC1 ZINC000877664297 1014666283 /nfs/dbraw/zinc/66/62/83/1014666283.db2.gz MGDHDWVZDCHRPQ-UHFFFAOYSA-N 2 0 362.430 2.526 20 5 FFBDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nnc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000879250851 1015438720 /nfs/dbraw/zinc/43/87/20/1015438720.db2.gz KCOYBSKVAHANIA-UHFFFAOYSA-N 2 0 371.441 2.953 20 5 FFBDRP COc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000903973404 1016351823 /nfs/dbraw/zinc/35/18/23/1016351823.db2.gz COTMKFJZKXJJSD-VXGBXAGGSA-N 2 0 373.400 2.583 20 5 FFBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)C1 ZINC001169019596 1000017421 /nfs/dbraw/zinc/01/74/21/1000017421.db2.gz GSNAMIYUYWHECH-WOJBJXKFSA-N 2 0 373.497 2.799 20 5 FFBDRP [NH3+]C1CC[NH+](CCc2cn(-c3cccnc3[N+](=O)[O-])c3ccccc23)CC1 ZINC001170528600 1004636703 /nfs/dbraw/zinc/63/67/03/1004636703.db2.gz UNGSGCOOBXHCAN-UHFFFAOYSA-N 2 0 365.437 2.899 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850509799 1005819606 /nfs/dbraw/zinc/81/96/06/1005819606.db2.gz STVYZGDXGSDOKZ-KDOFPFPSSA-N 2 0 370.453 2.594 20 5 FFBDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2ccc3ccc(Br)nc3c2n1 ZINC001170900125 1007899685 /nfs/dbraw/zinc/89/96/85/1007899685.db2.gz IQENUZZNBSSTGK-CYBMUJFWSA-N 2 0 360.259 2.981 20 5 FFBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000866270174 1010966948 /nfs/dbraw/zinc/96/69/48/1010966948.db2.gz SOQOJBIFWLFPHK-GJZGRUSLSA-N 2 0 365.449 2.755 20 5 FFBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001173219632 1012352725 /nfs/dbraw/zinc/35/27/25/1012352725.db2.gz ONARVALBXRIDSY-XJKSGUPXSA-N 2 0 366.462 2.705 20 5 FFBDRP O=C(CN1CCCC2(CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001118197760 1022113056 /nfs/dbraw/zinc/11/30/56/1022113056.db2.gz BFYITJSSRMSKED-UHFFFAOYSA-N 2 0 366.849 2.652 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3C[C@H]4CCCN(C)[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256101343 1038387161 /nfs/dbraw/zinc/38/71/61/1038387161.db2.gz FMPGJPWTXYBQDE-BEFAXECRSA-N 2 0 374.485 2.598 20 5 FFBDRP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001343916842 1052487467 /nfs/dbraw/zinc/48/74/67/1052487467.db2.gz OXNRIVRTRXXLAR-HNNXBMFYSA-N 2 0 369.469 2.780 20 5 FFBDRP CC(C)[C@H](CO)C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308749363 1052494670 /nfs/dbraw/zinc/49/46/70/1052494670.db2.gz RZZRCRPGVYBECA-IBGZPJMESA-N 2 0 363.502 2.703 20 5 FFBDRP [NH2+]=C(NCc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849058670 1055611796 /nfs/dbraw/zinc/61/17/96/1055611796.db2.gz KRZWQOIUTYKPEK-UHFFFAOYSA-N 2 0 367.453 2.873 20 5 FFBDRP Cc1c(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC001461054642 1061197766 /nfs/dbraw/zinc/19/77/66/1061197766.db2.gz RZIBIWSCDPZRTC-UHFFFAOYSA-N 2 0 368.481 2.940 20 5 FFBDRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001473759282 1065349107 /nfs/dbraw/zinc/34/91/07/1065349107.db2.gz BYYKZBBRJWIYTB-OAHLLOKOSA-N 2 0 369.425 2.529 20 5 FFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279139855 256386030 /nfs/dbraw/zinc/38/60/30/256386030.db2.gz RUWGNTQPUYSACH-DNVCBOLYSA-N 2 0 360.502 2.933 20 5 FFBDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000289400895 257279358 /nfs/dbraw/zinc/27/93/58/257279358.db2.gz GMRICAGDTBRLGJ-UHFFFAOYSA-N 2 0 372.469 2.924 20 5 FFBDRP C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367211236 512387936 /nfs/dbraw/zinc/38/79/36/512387936.db2.gz JOSSHXGOOVXSQW-NNQSOWQGSA-N 2 0 364.421 2.620 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153581332 508602483 /nfs/dbraw/zinc/60/24/83/508602483.db2.gz LTZXVXYXQGKPJV-HZPDHXFCSA-N 2 0 364.490 2.528 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173429001 509593793 /nfs/dbraw/zinc/59/37/93/509593793.db2.gz DJTMYFMVEFSTHI-OAHLLOKOSA-N 2 0 370.453 2.737 20 5 FFBDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000245569861 510015271 /nfs/dbraw/zinc/01/52/71/510015271.db2.gz YSILAMZJZXBKFV-ICSRJNTNSA-N 2 0 374.529 2.923 20 5 FFBDRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175012903 510436201 /nfs/dbraw/zinc/43/62/01/510436201.db2.gz ZNDGVASYFSFNGK-AEFFLSMTSA-N 2 0 357.458 2.958 20 5 FFBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000271024209 511061381 /nfs/dbraw/zinc/06/13/81/511061381.db2.gz AYHQGVKDHWTBTM-HZPDHXFCSA-N 2 0 366.531 2.691 20 5 FFBDRP CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000283662569 511453324 /nfs/dbraw/zinc/45/33/24/511453324.db2.gz BZZAAGJLLMQGIK-XLIONFOSSA-N 2 0 368.437 2.958 20 5 FFBDRP Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000411475212 512653593 /nfs/dbraw/zinc/65/35/93/512653593.db2.gz NJHVQHPXABDNTJ-OAHLLOKOSA-N 2 0 362.474 2.543 20 5 FFBDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448592653 513797780 /nfs/dbraw/zinc/79/77/80/513797780.db2.gz QYIASAICGXGGBL-OAHLLOKOSA-N 2 0 371.441 2.775 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000442869121 513800047 /nfs/dbraw/zinc/80/00/47/513800047.db2.gz AORYXDQUGDTTNF-SFHVURJKSA-N 2 0 360.502 2.933 20 5 FFBDRP COc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000422947971 513987352 /nfs/dbraw/zinc/98/73/52/513987352.db2.gz RHSOOZTZMNKITJ-UZLBHIALSA-N 2 0 369.421 2.949 20 5 FFBDRP COc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000422947969 513988134 /nfs/dbraw/zinc/98/81/34/513988134.db2.gz RHSOOZTZMNKITJ-OXJNMPFZSA-N 2 0 369.421 2.949 20 5 FFBDRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423200434 514078993 /nfs/dbraw/zinc/07/89/93/514078993.db2.gz FOJNHVPATDECLE-CQSZACIVSA-N 2 0 360.483 2.879 20 5 FFBDRP C[NH+](C)CCN1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433169954 514406320 /nfs/dbraw/zinc/40/63/20/514406320.db2.gz ZDLDLJNQJAZVCO-IBGZPJMESA-N 2 0 360.502 2.933 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415130631 514459222 /nfs/dbraw/zinc/45/92/22/514459222.db2.gz XMAIGQJVSPGSNQ-APWZRJJASA-N 2 0 363.458 2.712 20 5 FFBDRP Cc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000514213692 516905819 /nfs/dbraw/zinc/90/58/19/516905819.db2.gz HZJUAGJSSFSWCW-UHFFFAOYSA-N 2 0 355.442 2.922 20 5 FFBDRP Cc1cc(N2CCC(OCC[NH+](C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542120326 517391656 /nfs/dbraw/zinc/39/16/56/517391656.db2.gz ZSDMJTQKSHHYTQ-UHFFFAOYSA-N 2 0 358.442 2.998 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000577394749 519059625 /nfs/dbraw/zinc/05/96/25/519059625.db2.gz BAPYFGOQVFDQCX-INIZCTEOSA-N 2 0 360.458 2.553 20 5 FFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000569531982 519595626 /nfs/dbraw/zinc/59/56/26/519595626.db2.gz QNHJLZCMRFYARQ-SAPNQHFASA-N 2 0 360.502 2.956 20 5 FFBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492580 520415561 /nfs/dbraw/zinc/41/55/61/520415561.db2.gz AXYQFCXKWFQABD-PMPSAXMXSA-N 2 0 360.458 2.633 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592494026 520415713 /nfs/dbraw/zinc/41/57/13/520415713.db2.gz ZMKSBISBKOTHSI-HOTGVXAUSA-N 2 0 360.458 2.553 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592492978 520415853 /nfs/dbraw/zinc/41/58/53/520415853.db2.gz KEERMHCJHQPWRL-JKSUJKDBSA-N 2 0 360.458 2.635 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592492975 520416464 /nfs/dbraw/zinc/41/64/64/520416464.db2.gz KEERMHCJHQPWRL-CVEARBPZSA-N 2 0 360.458 2.635 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592494025 520416738 /nfs/dbraw/zinc/41/67/38/520416738.db2.gz ZMKSBISBKOTHSI-CVEARBPZSA-N 2 0 360.458 2.553 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600729387 520429069 /nfs/dbraw/zinc/42/90/69/520429069.db2.gz YLLWWWFHWFOAGT-TZMCWYRMSA-N 2 0 361.364 2.953 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595901452 520806765 /nfs/dbraw/zinc/80/67/65/520806765.db2.gz WLEZAXLOWVCROV-INIZCTEOSA-N 2 0 360.458 2.635 20 5 FFBDRP C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593735705 521182971 /nfs/dbraw/zinc/18/29/71/521182971.db2.gz ZHELPGDCRUUCHJ-BXUZGUMPSA-N 2 0 354.838 2.636 20 5 FFBDRP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000596655375 521192713 /nfs/dbraw/zinc/19/27/13/521192713.db2.gz WBVLZUBDPMRVMU-SFHVURJKSA-N 2 0 362.474 2.626 20 5 FFBDRP CC1CC[NH+](CCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602503534 521383427 /nfs/dbraw/zinc/38/34/27/521383427.db2.gz PZUHRHQIKURTDK-UHFFFAOYSA-N 2 0 361.490 2.670 20 5 FFBDRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602588021 521424829 /nfs/dbraw/zinc/42/48/29/521424829.db2.gz LQOWGHRTPBAOSY-UHFFFAOYSA-N 2 0 374.407 2.729 20 5 FFBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249600 1015439079 /nfs/dbraw/zinc/43/90/79/1015439079.db2.gz VTRPQYSDRSTIQH-OAHLLOKOSA-N 2 0 360.458 2.730 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000846218521 1000233141 /nfs/dbraw/zinc/23/31/41/1000233141.db2.gz WHNFUMXRLWSIHN-UHFFFAOYSA-N 2 0 352.438 2.563 20 5 FFBDRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001197283514 1004163114 /nfs/dbraw/zinc/16/31/14/1004163114.db2.gz CBRGHNDREMBEQU-LJQANCHMSA-N 2 0 374.485 2.898 20 5 FFBDRP O=[N+]([O-])c1c(F)cccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000748308556 1017065687 /nfs/dbraw/zinc/06/56/87/1017065687.db2.gz SWKASYODOSVDPH-UHFFFAOYSA-N 2 0 359.405 2.753 20 5 FFBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000819016293 1008024831 /nfs/dbraw/zinc/02/48/31/1008024831.db2.gz WUNFZMFPRUVYMT-WIYYLYMNSA-N 2 0 369.465 2.782 20 5 FFBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000819206246 1008064705 /nfs/dbraw/zinc/06/47/05/1008064705.db2.gz RQJDXVKIEOBNFT-LJQANCHMSA-N 2 0 356.426 2.529 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C[C@H]3CC[N@H+](C2)[C@@H]3C)c1F ZINC001173182686 1012327499 /nfs/dbraw/zinc/32/74/99/1012327499.db2.gz KEYMIENDDDAFEM-DGAVXFQQSA-N 2 0 351.422 2.746 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC3(C[NH+](C)C3)CC2)c1F ZINC001173194281 1012338981 /nfs/dbraw/zinc/33/89/81/1012338981.db2.gz YZXVNYNYGJZAJZ-ZDUSSCGKSA-N 2 0 351.422 2.701 20 5 FFBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001173219629 1012352883 /nfs/dbraw/zinc/35/28/83/1012352883.db2.gz ONARVALBXRIDSY-BBRMVZONSA-N 2 0 366.462 2.705 20 5 FFBDRP COc1cc(N2CCC([N@H+](C)C3CCC([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087806 1038372478 /nfs/dbraw/zinc/37/24/78/1038372478.db2.gz QLTBDLONOGULAX-UHFFFAOYSA-N 2 0 362.474 2.774 20 5 FFBDRP COc1cc(N2CCC([NH2+]CC(C)(C)C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001256087997 1038372596 /nfs/dbraw/zinc/37/25/96/1038372596.db2.gz UQHTXWBOZCWIIF-UHFFFAOYSA-N 2 0 364.490 2.750 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001246089730 1039241617 /nfs/dbraw/zinc/24/16/17/1039241617.db2.gz DIVWEWKGTGZEFU-HUUCEWRRSA-N 2 0 362.474 2.550 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001247014136 1039580543 /nfs/dbraw/zinc/58/05/43/1039580543.db2.gz JDSWKEOCZCLOTO-YJBOKZPZSA-N 2 0 374.485 2.646 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001254542889 1040788804 /nfs/dbraw/zinc/78/88/04/1040788804.db2.gz PPUVAKFHEKBVCW-XJKSGUPXSA-N 2 0 366.462 2.705 20 5 FFBDRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC001334357102 1049387631 /nfs/dbraw/zinc/38/76/31/1049387631.db2.gz RCLWWAYDIGNSAX-DZKIICNBSA-N 2 0 363.458 2.774 20 5 FFBDRP O=C(CC[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001336805737 1054243418 /nfs/dbraw/zinc/24/34/18/1054243418.db2.gz XQNHCUVZNDMCGF-MRXNPFEDSA-N 2 0 360.458 2.635 20 5 FFBDRP C[N@@H+]1C[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC001336830720 1054266085 /nfs/dbraw/zinc/26/60/85/1054266085.db2.gz UTQGAWRZPRUCNC-YZGWKJHDSA-N 2 0 355.438 2.563 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC001461994125 1061473793 /nfs/dbraw/zinc/47/37/93/1061473793.db2.gz GKHNNEWWFJBJGT-OAQYLSRUSA-N 2 0 369.465 2.884 20 5 FFBDRP CCOc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000276914637 256142143 /nfs/dbraw/zinc/14/21/43/256142143.db2.gz OBOSKJTYUDUGJO-UHFFFAOYSA-N 2 0 363.458 2.538 20 5 FFBDRP C[NH+](C)CC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000116396841 508507466 /nfs/dbraw/zinc/50/74/66/508507466.db2.gz FRIIVFNHBFOMMO-IRXDYDNUSA-N 2 0 362.474 2.656 20 5 FFBDRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173326264 509534251 /nfs/dbraw/zinc/53/42/51/509534251.db2.gz UTDCLJFZDLJGFK-HNNXBMFYSA-N 2 0 355.442 2.592 20 5 FFBDRP CC(C)[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000192648084 509581906 /nfs/dbraw/zinc/58/19/06/509581906.db2.gz HNBCFBYCLBTZPZ-WOJBJXKFSA-N 2 0 360.502 2.834 20 5 FFBDRP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237766493 509729907 /nfs/dbraw/zinc/72/99/07/509729907.db2.gz NTUHYOSHKHKRAK-AWEZNQCLSA-N 2 0 355.442 2.569 20 5 FFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000326973319 511867620 /nfs/dbraw/zinc/86/76/20/511867620.db2.gz TZTLAVFYFXJXLB-UHFFFAOYSA-N 2 0 370.881 2.594 20 5 FFBDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000374426294 512827848 /nfs/dbraw/zinc/82/78/48/512827848.db2.gz DCFVKCCDCGNGLO-VYDXJSESSA-N 2 0 353.850 2.932 20 5 FFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000468654880 515455862 /nfs/dbraw/zinc/45/58/62/515455862.db2.gz CZBMEOGXZMIRKS-PGNDWZGLSA-N 2 0 360.502 2.860 20 5 FFBDRP O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001149 517942755 /nfs/dbraw/zinc/94/27/55/517942755.db2.gz FWIMNNXQEPXXLY-QWHCGFSZSA-N 2 0 366.849 2.508 20 5 FFBDRP Cn1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567871143 518759533 /nfs/dbraw/zinc/75/95/33/518759533.db2.gz SGMWAUNCRYUUGQ-KRWDZBQOSA-N 2 0 369.469 2.817 20 5 FFBDRP CC(C)[N@@H+](C)C[C@@H](C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000573738595 518811192 /nfs/dbraw/zinc/81/11/92/518811192.db2.gz RFIJTMXFKGGKBD-OAHLLOKOSA-N 2 0 350.463 2.568 20 5 FFBDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cn2)CC1 ZINC000566473490 519512092 /nfs/dbraw/zinc/51/20/92/519512092.db2.gz BKYFLCLCCSTOKV-SFHVURJKSA-N 2 0 367.453 2.519 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592478844 520406562 /nfs/dbraw/zinc/40/65/62/520406562.db2.gz KBSYNKOONYQHQZ-RDJZCZTQSA-N 2 0 360.458 2.696 20 5 FFBDRP CN(c1ccccc1)c1ccc(C[N@H+](C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000600773392 520461521 /nfs/dbraw/zinc/46/15/21/520461521.db2.gz HQJZGNAMJSMXEX-UHFFFAOYSA-N 2 0 358.442 2.770 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505292 520514540 /nfs/dbraw/zinc/51/45/40/520514540.db2.gz RMTSDZSXJRZFED-IBGZPJMESA-N 2 0 360.458 2.650 20 5 FFBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000593735960 521182730 /nfs/dbraw/zinc/18/27/30/521182730.db2.gz AYJYDPNHUMBGQB-UNEWFSDZSA-N 2 0 353.850 2.967 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000872034653 731722985 /nfs/dbraw/zinc/72/29/85/731722985.db2.gz QCLZUCJJCVLHTR-ZIAGYGMSSA-N 2 0 352.504 2.603 20 5 FFBDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036522 731723067 /nfs/dbraw/zinc/72/30/67/731723067.db2.gz TVSPWSXVCHGJPE-KGLIPLIRSA-N 2 0 350.438 2.553 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000872034652 731723113 /nfs/dbraw/zinc/72/31/13/731723113.db2.gz QCLZUCJJCVLHTR-UONOGXRCSA-N 2 0 352.504 2.603 20 5 FFBDRP O=[N+]([O-])c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000903980092 736198636 /nfs/dbraw/zinc/19/86/36/736198636.db2.gz HBLULJOEQMQLTK-CALCHBBNSA-N 2 0 364.877 2.649 20 5 FFBDRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000922390386 988546189 /nfs/dbraw/zinc/54/61/89/988546189.db2.gz ZDTFRCAAAHSGFQ-YMBVIXEUSA-N 2 0 359.470 2.677 20 5 FFBDRP Cn1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000903959475 1016332887 /nfs/dbraw/zinc/33/28/87/1016332887.db2.gz IQVZTBXVHQJGKG-FQEVSTJZSA-N 2 0 369.469 2.961 20 5 FFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001177257212 1008542121 /nfs/dbraw/zinc/54/21/21/1008542121.db2.gz RFYIZVJMEMOLGP-INIZCTEOSA-N 2 0 372.469 2.970 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]CCC3(CO)CC3)CC2)cc1 ZINC001181795973 1010249287 /nfs/dbraw/zinc/24/92/87/1010249287.db2.gz FNWGSXLVLUVIEU-UHFFFAOYSA-N 2 0 361.486 2.602 20 5 FFBDRP Cc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866012301 1010906886 /nfs/dbraw/zinc/90/68/86/1010906886.db2.gz XKYYCWDXLOTDOW-HZPDHXFCSA-N 3 0 371.485 2.627 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3C[C@@H]4CCCN(C)[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256101345 1038387589 /nfs/dbraw/zinc/38/75/89/1038387589.db2.gz FMPGJPWTXYBQDE-HNAYVOBHSA-N 2 0 374.485 2.598 20 5 FFBDRP COc1cc[nH+]c(N([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)c1 ZINC001254610556 1040839444 /nfs/dbraw/zinc/83/94/44/1040839444.db2.gz KXWHRSATCLBPEK-SFHVURJKSA-N 2 0 368.437 2.724 20 5 FFBDRP CC(C)(C)[C@@H](CO)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308672456 1052484507 /nfs/dbraw/zinc/48/45/07/1052484507.db2.gz MTXFSVQLNXOKPK-LJQANCHMSA-N 2 0 363.502 2.846 20 5 FFBDRP CC(C)[C@@H](CO)C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308749372 1052494835 /nfs/dbraw/zinc/49/48/35/1052494835.db2.gz RZZRCRPGVYBECA-LJQANCHMSA-N 2 0 363.502 2.703 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3CO)CC2)cc1 ZINC001462242633 1061549116 /nfs/dbraw/zinc/54/91/16/1061549116.db2.gz ZHJNWGFPSNLWDV-UYAOXDASSA-N 2 0 361.486 2.600 20 5 FFBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000373173112 512205009 /nfs/dbraw/zinc/20/50/09/512205009.db2.gz MKZALQJPANREPS-OXQOHEQNSA-N 2 0 358.486 2.730 20 5 FFBDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072803520 507855429 /nfs/dbraw/zinc/85/54/29/507855429.db2.gz GBSYUKNNWJSSIG-MRXNPFEDSA-N 2 0 362.474 2.896 20 5 FFBDRP NC(=O)c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000122051685 508473885 /nfs/dbraw/zinc/47/38/85/508473885.db2.gz WOFPGYORKZJRSW-UHFFFAOYSA-N 2 0 374.485 2.782 20 5 FFBDRP C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@@H]21 ZINC000158661738 508736138 /nfs/dbraw/zinc/73/61/38/508736138.db2.gz SDFZJKDHEZVBTR-HOCLYGCPSA-N 2 0 357.414 2.561 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139917382 508797254 /nfs/dbraw/zinc/79/72/54/508797254.db2.gz AVESPDCOWVNIJK-QAPCUYQASA-N 2 0 360.458 2.648 20 5 FFBDRP CC[NH+](CC)CCCC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000182748416 509407385 /nfs/dbraw/zinc/40/73/85/509407385.db2.gz UZGHVGUPOIFNHP-UHFFFAOYSA-N 2 0 364.490 2.591 20 5 FFBDRP CC(C)[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000192648130 509582262 /nfs/dbraw/zinc/58/22/62/509582262.db2.gz HNBCFBYCLBTZPZ-PMACEKPBSA-N 2 0 360.502 2.834 20 5 FFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245433184 509929247 /nfs/dbraw/zinc/92/92/47/509929247.db2.gz PAIWRGMEBYZRNU-YJBOKZPZSA-N 2 0 362.474 2.894 20 5 FFBDRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000184622163 510421919 /nfs/dbraw/zinc/42/19/19/510421919.db2.gz OEHKPWIMDFYBGN-HNAYVOBHSA-N 2 0 370.453 2.665 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292965004 511788165 /nfs/dbraw/zinc/78/81/65/511788165.db2.gz LTARZEQZZNCUSM-IBGZPJMESA-N 2 0 360.458 2.650 20 5 FFBDRP O=[N+]([O-])c1cccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397492298 512945880 /nfs/dbraw/zinc/94/58/80/512945880.db2.gz LIKFEVOVXCHJSC-UHFFFAOYSA-N 2 0 355.438 2.712 20 5 FFBDRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422921509 513976780 /nfs/dbraw/zinc/97/67/80/513976780.db2.gz QFKOIUOCDFVMST-LSDHHAIUSA-N 2 0 363.458 2.875 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332984 514098093 /nfs/dbraw/zinc/09/80/93/514098093.db2.gz DUKHWMRJKNORDW-CVEARBPZSA-N 2 0 360.458 2.553 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340629 514101568 /nfs/dbraw/zinc/10/15/68/514101568.db2.gz MXOBJYSKCYLYNQ-JKSUJKDBSA-N 2 0 360.458 2.553 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000420346228 514103350 /nfs/dbraw/zinc/10/33/50/514103350.db2.gz XUAMKTOTPXNKLO-QGZVFWFLSA-N 2 0 360.458 2.696 20 5 FFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433166941 514403623 /nfs/dbraw/zinc/40/36/23/514403623.db2.gz LVXNKAZADVCMPV-HNAYVOBHSA-N 2 0 360.502 2.933 20 5 FFBDRP Cn1ccnc1[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721781 515769567 /nfs/dbraw/zinc/76/95/67/515769567.db2.gz AWKLXBXGFCNSJU-YJBOKZPZSA-N 2 0 357.458 2.739 20 5 FFBDRP COc1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])cc1OC(F)F ZINC000572121528 519454834 /nfs/dbraw/zinc/45/48/34/519454834.db2.gz ZUKKLMJTUICGES-KRWDZBQOSA-N 2 0 371.384 2.780 20 5 FFBDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595005568 520252526 /nfs/dbraw/zinc/25/25/26/520252526.db2.gz AQDJEUHTGLKLHS-INIZCTEOSA-N 2 0 364.490 2.672 20 5 FFBDRP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595900731 520804606 /nfs/dbraw/zinc/80/46/06/520804606.db2.gz JIJDNWLLSDOAFS-WBVHZDCISA-N 2 0 374.485 2.942 20 5 FFBDRP C[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000602538953 521400025 /nfs/dbraw/zinc/40/00/25/521400025.db2.gz GBYCVGSYUPFOHL-ZDUSSCGKSA-N 2 0 374.407 2.587 20 5 FFBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846563 521567674 /nfs/dbraw/zinc/56/76/74/521567674.db2.gz RMLBVFUADSLNLU-OAHLLOKOSA-N 2 0 369.425 2.529 20 5 FFBDRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903090859 979991783 /nfs/dbraw/zinc/99/17/83/979991783.db2.gz IJSZPHSNSRHMCF-HNNXBMFYSA-N 2 0 364.490 2.528 20 5 FFBDRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904411375 980269912 /nfs/dbraw/zinc/26/99/12/980269912.db2.gz UXAMTQGVUXTRKZ-NWDGAFQWSA-N 2 0 373.400 2.664 20 5 FFBDRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000922394092 988554424 /nfs/dbraw/zinc/55/44/24/988554424.db2.gz UQMNQMNQMNXRAM-LMCOJAPRSA-N 2 0 361.486 2.863 20 5 FFBDRP Cc1nn(C[NH+]2CCC(CCC[NH+](C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000766382110 999988815 /nfs/dbraw/zinc/98/88/15/999988815.db2.gz PNBKXUYMJHBLBG-UHFFFAOYSA-N 2 0 360.462 2.659 20 5 FFBDRP CO[C@H]1C[C@@H](C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001183196502 1002193215 /nfs/dbraw/zinc/19/32/15/1002193215.db2.gz CVGAPTFQYHCZLL-PUZFROQSSA-N 2 0 361.486 2.864 20 5 FFBDRP [NH3+]C1CC[NH+](CCc2cn(-c3ccc([N+](=O)[O-])cn3)c3ccccc23)CC1 ZINC001170522337 1004567184 /nfs/dbraw/zinc/56/71/84/1004567184.db2.gz JOUHEQRZIFQBHS-UHFFFAOYSA-N 2 0 365.437 2.899 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866260617 1010964933 /nfs/dbraw/zinc/96/49/33/1010964933.db2.gz WCSFAAGORKIDIJ-CVEARBPZSA-N 2 0 366.481 2.528 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCN(CC[NH+]3CCCC3)CC1)CC2 ZINC001172921337 1012101525 /nfs/dbraw/zinc/10/15/25/1012101525.db2.gz OWAMWYWUHYGSMF-HXUWFJFHSA-N 2 0 372.513 2.556 20 5 FFBDRP [NH3+]C1CCN(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000925810819 1017856123 /nfs/dbraw/zinc/85/61/23/1017856123.db2.gz GGWBERORVLHMTB-HXUWFJFHSA-N 2 0 354.454 2.697 20 5 FFBDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903066348 1020659975 /nfs/dbraw/zinc/65/99/75/1020659975.db2.gz KTMURAJXQHAYLX-INIZCTEOSA-N 2 0 364.490 2.672 20 5 FFBDRP COc1cc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000903131398 1020694040 /nfs/dbraw/zinc/69/40/40/1020694040.db2.gz RWIFCAQWQUUBBU-AWEZNQCLSA-N 2 0 374.441 2.790 20 5 FFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782509786 1029725445 /nfs/dbraw/zinc/72/54/45/1029725445.db2.gz QVRDQORDRXMNDS-UONOGXRCSA-N 2 0 366.437 2.867 20 5 FFBDRP COc1cc(N2CCC([NH2+]CCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001256082611 1038366998 /nfs/dbraw/zinc/36/69/98/1038366998.db2.gz KDIVLIVAGQWKBF-UHFFFAOYSA-N 2 0 350.463 2.504 20 5 FFBDRP C[C@@H]1CC[C@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[NH2+]C1 ZINC001246108306 1039246703 /nfs/dbraw/zinc/24/67/03/1039246703.db2.gz UVYGIGRMYHQSQD-TZMCWYRMSA-N 2 0 368.428 2.820 20 5 FFBDRP CCC[N@H+]1C[C@@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC001254482101 1040749171 /nfs/dbraw/zinc/74/91/71/1040749171.db2.gz IHTXMETWYRGWNL-CALCHBBNSA-N 2 0 358.486 2.837 20 5 FFBDRP CCCN1CC[C@@H]([NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001462458520 1061631903 /nfs/dbraw/zinc/63/19/03/1061631903.db2.gz OVCWOEKRZGEDQR-HXUWFJFHSA-N 2 0 374.529 2.923 20 5 FFBDRP Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000267398030 251345235 /nfs/dbraw/zinc/34/52/35/251345235.db2.gz FHHSJYSHPAQTLG-KGLIPLIRSA-N 2 0 357.414 2.833 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631984 508199630 /nfs/dbraw/zinc/19/96/30/508199630.db2.gz PJMRTFCQDHBBQA-QGZVFWFLSA-N 2 0 374.485 2.896 20 5 FFBDRP CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000155337178 508979645 /nfs/dbraw/zinc/97/96/45/508979645.db2.gz QWEWMYGCHQCPPJ-QZTJIDSGSA-N 2 0 362.474 2.578 20 5 FFBDRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236810084 509508687 /nfs/dbraw/zinc/50/86/87/509508687.db2.gz CYFKHYCLJLOUJM-OAHLLOKOSA-N 2 0 357.458 2.817 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262107117 510179044 /nfs/dbraw/zinc/17/90/44/510179044.db2.gz JSMFGJXIZCXISC-QGZVFWFLSA-N 2 0 372.494 2.803 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246192160 510351353 /nfs/dbraw/zinc/35/13/53/510351353.db2.gz UIOHIAQFRDTFHP-OLZOCXBDSA-N 2 0 368.865 2.849 20 5 FFBDRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435385712 513572463 /nfs/dbraw/zinc/57/24/63/513572463.db2.gz SVOSMIFXQFURAJ-BMGDILEWSA-N 2 0 355.442 2.555 20 5 FFBDRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430935359 513785326 /nfs/dbraw/zinc/78/53/26/513785326.db2.gz PSFOOMAPZWFJCE-JTQLQIEISA-N 2 0 359.373 2.764 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420344288 514102711 /nfs/dbraw/zinc/10/27/11/514102711.db2.gz SNZJELLNLMEZPY-ARFHVFGLSA-N 2 0 360.458 2.552 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420387046 514123076 /nfs/dbraw/zinc/12/30/76/514123076.db2.gz GGCRIUDADJZYCU-QAPCUYQASA-N 2 0 360.458 2.696 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCC2 ZINC000423508996 514155428 /nfs/dbraw/zinc/15/54/28/514155428.db2.gz LVJJVMJLWKKIKO-LBXVMSDZSA-N 2 0 358.486 2.778 20 5 FFBDRP COc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000489228688 514761220 /nfs/dbraw/zinc/76/12/20/514761220.db2.gz WDAYJQIRNHPITF-UHFFFAOYSA-N 2 0 363.458 2.538 20 5 FFBDRP Cn1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459731228 515776625 /nfs/dbraw/zinc/77/66/25/515776625.db2.gz KYOVJRVIAMROGT-OAHLLOKOSA-N 2 0 357.458 2.817 20 5 FFBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000564314782 518394099 /nfs/dbraw/zinc/39/40/99/518394099.db2.gz GURPPQODCIXKJR-UHFFFAOYSA-N 2 0 360.458 2.780 20 5 FFBDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000576101329 518430019 /nfs/dbraw/zinc/43/00/19/518430019.db2.gz PHYZZSKIAYXUOD-INIZCTEOSA-N 2 0 362.474 2.881 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000592492985 520417237 /nfs/dbraw/zinc/41/72/37/520417237.db2.gz LAFKKPKJURYOSQ-HZPDHXFCSA-N 2 0 371.441 2.856 20 5 FFBDRP C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CCC[NH3+] ZINC000595904207 520811394 /nfs/dbraw/zinc/81/13/94/520811394.db2.gz ASKDDHCZYYJAPR-CZUORRHYSA-N 2 0 359.430 2.984 20 5 FFBDRP Cc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])s1 ZINC000596099012 520910428 /nfs/dbraw/zinc/91/04/28/520910428.db2.gz WGYINTBCISWWMD-UHFFFAOYSA-N 2 0 361.471 2.984 20 5 FFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000602020003 521082662 /nfs/dbraw/zinc/08/26/62/521082662.db2.gz HNBNIAAERGPGPO-AWEZNQCLSA-N 2 0 368.437 2.747 20 5 FFBDRP C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H]1C[NH+](C)C ZINC000866011202 731021076 /nfs/dbraw/zinc/02/10/76/731021076.db2.gz WCUFEKWHOLRQGN-CHWSQXEVSA-N 2 0 356.417 2.708 20 5 FFBDRP COc1c(O)ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000892120997 734517307 /nfs/dbraw/zinc/51/73/07/734517307.db2.gz QHOATGAORFIGPN-UHFFFAOYSA-N 2 0 351.447 2.863 20 5 FFBDRP O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120173 747776627 /nfs/dbraw/zinc/77/66/27/747776627.db2.gz JLBNREPGTOTAMP-UHFFFAOYSA-N 2 0 354.248 2.933 20 5 FFBDRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387122 747821987 /nfs/dbraw/zinc/82/19/87/747821987.db2.gz FEFXJYPLBQTVHU-STQMWFEESA-N 2 0 366.849 2.508 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000236842568 971259257 /nfs/dbraw/zinc/25/92/57/971259257.db2.gz JPHNYSRPUKDFPI-HOTGVXAUSA-N 2 0 365.474 2.973 20 5 FFBDRP Cc1c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000873102214 1013386586 /nfs/dbraw/zinc/38/65/86/1013386586.db2.gz MNDVIXICFALGDN-IBGZPJMESA-N 2 0 355.438 2.760 20 5 FFBDRP C[N@@H+]1CCC[C@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC[C@H]21 ZINC000765102800 984963315 /nfs/dbraw/zinc/96/33/15/984963315.db2.gz ARQINOGTULVIOJ-QFBILLFUSA-N 2 0 355.442 2.832 20 5 FFBDRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2)[C@H]1C(C)C ZINC000922395026 988555878 /nfs/dbraw/zinc/55/58/78/988555878.db2.gz PXTJJXHWUROENQ-AFYVEPGGSA-N 2 0 361.486 2.863 20 5 FFBDRP [NH3+]CCC[C@H]([NH3+])Nc1nnc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001170898191 1007896599 /nfs/dbraw/zinc/89/65/99/1007896599.db2.gz BXVMUSGTUJTFPT-CYBMUJFWSA-N 2 0 370.335 2.506 20 5 FFBDRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC[NH2+]CC2 ZINC000818340181 1007905679 /nfs/dbraw/zinc/90/56/79/1007905679.db2.gz JKRPBFBFBALMFX-ZDUSSCGKSA-N 2 0 364.421 2.527 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000925808025 1017853916 /nfs/dbraw/zinc/85/39/16/1017853916.db2.gz JLCVSJCCHKGKOA-MRXNPFEDSA-N 2 0 354.454 2.851 20 5 FFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160649336 1027786822 /nfs/dbraw/zinc/78/68/22/1027786822.db2.gz ITDLELACMWTOQD-HBMCJLEFSA-N 2 0 365.452 2.761 20 5 FFBDRP CC(C)[PH+](CCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C(C)C ZINC001162357986 1028514586 /nfs/dbraw/zinc/51/45/86/1028514586.db2.gz ILTYVKAQAWSZHK-UHFFFAOYSA-N 2 0 368.422 2.505 20 5 FFBDRP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246101507 1039244688 /nfs/dbraw/zinc/24/46/88/1039244688.db2.gz QLGIUARELODMHK-CHWSQXEVSA-N 2 0 368.428 2.677 20 5 FFBDRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246115646 1039245560 /nfs/dbraw/zinc/24/55/60/1039245560.db2.gz ZNEZJIXQJOJVDD-QWHCGFSZSA-N 2 0 368.428 2.820 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3CCC[C@](C)([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001246548281 1039392984 /nfs/dbraw/zinc/39/29/84/1039392984.db2.gz FKNDLWGOFUHTKD-IBGZPJMESA-N 2 0 362.474 2.776 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001246559276 1039394343 /nfs/dbraw/zinc/39/43/43/1039394343.db2.gz OUWRSUPDUWQBET-RDBSUJKOSA-N 2 0 353.438 2.980 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001254580977 1040814554 /nfs/dbraw/zinc/81/45/54/1040814554.db2.gz JCMFRVYOJUFKDH-FQEVSTJZSA-N 2 0 373.497 2.790 20 5 FFBDRP CO[C@@H](C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001308788207 1052499914 /nfs/dbraw/zinc/49/99/14/1052499914.db2.gz VGYZRTJGUMUSQO-FQEVSTJZSA-N 2 0 361.486 2.864 20 5 FFBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC001353286583 1056260758 /nfs/dbraw/zinc/26/07/58/1056260758.db2.gz CCGYNSRGRUBIPP-HXUWFJFHSA-N 2 0 370.453 2.525 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]CC3(CCO)CC3)CC2)cc1 ZINC001560772982 1076298554 /nfs/dbraw/zinc/29/85/54/1076298554.db2.gz NAKOJEZMEUQVKM-UHFFFAOYSA-N 2 0 361.486 2.602 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157289347 508547328 /nfs/dbraw/zinc/54/73/28/508547328.db2.gz YXQNRIWIENUYGN-QGZVFWFLSA-N 2 0 360.458 2.874 20 5 FFBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185867042 509396311 /nfs/dbraw/zinc/39/63/11/509396311.db2.gz ZJKUZQHDPDTWDC-INIZCTEOSA-N 2 0 372.469 2.970 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000186582715 509783362 /nfs/dbraw/zinc/78/33/62/509783362.db2.gz GTDPFUTXZYAOTC-JKSUJKDBSA-N 2 0 364.490 2.670 20 5 FFBDRP O=[N+]([O-])c1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000182066592 510737577 /nfs/dbraw/zinc/73/75/77/510737577.db2.gz AWYPXCXPPGAVHT-UHFFFAOYSA-N 2 0 353.850 2.792 20 5 FFBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000271024203 511060835 /nfs/dbraw/zinc/06/08/35/511060835.db2.gz AYHQGVKDHWTBTM-CVEARBPZSA-N 2 0 366.531 2.691 20 5 FFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000370131673 512783345 /nfs/dbraw/zinc/78/33/45/512783345.db2.gz LANIQWLLXSTZHN-NXVRBGIVSA-N 2 0 360.458 2.918 20 5 FFBDRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423200433 514078742 /nfs/dbraw/zinc/07/87/42/514078742.db2.gz FOJNHVPATDECLE-AWEZNQCLSA-N 2 0 360.483 2.879 20 5 FFBDRP CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000420306028 514082596 /nfs/dbraw/zinc/08/25/96/514082596.db2.gz HFHNHEXSFHCONP-GFCCVEGCSA-N 2 0 354.838 2.651 20 5 FFBDRP COc1cc(CNC[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414881315 514338032 /nfs/dbraw/zinc/33/80/32/514338032.db2.gz SDMJKBAQOQSQIV-CQSZACIVSA-N 2 0 359.426 2.867 20 5 FFBDRP COCC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414977990 514384454 /nfs/dbraw/zinc/38/44/54/514384454.db2.gz RWFNPGIGFPKMQE-AEFFLSMTSA-N 2 0 361.486 2.912 20 5 FFBDRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414990564 514391471 /nfs/dbraw/zinc/39/14/71/514391471.db2.gz ABNZPRXIDGJPDN-DGCLKSJQSA-N 2 0 373.400 2.854 20 5 FFBDRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000533271584 517377464 /nfs/dbraw/zinc/37/74/64/517377464.db2.gz BIQYCMWSIVIFTD-UHFFFAOYSA-N 2 0 362.474 2.976 20 5 FFBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000570389220 518580342 /nfs/dbraw/zinc/58/03/42/518580342.db2.gz WAKHMJPKIOGDTP-ICSRJNTNSA-N 2 0 369.421 2.819 20 5 FFBDRP C[NH+](C)CCOc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000589191352 518946505 /nfs/dbraw/zinc/94/65/05/518946505.db2.gz JLNQPIHNHWYNIF-UHFFFAOYSA-N 2 0 358.442 2.501 20 5 FFBDRP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000574453838 519162904 /nfs/dbraw/zinc/16/29/04/519162904.db2.gz ZNHMSEITHKEUQY-TXEJJXNPSA-N 2 0 371.384 2.636 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900743 520805398 /nfs/dbraw/zinc/80/53/98/520805398.db2.gz JQOPVEQPFYGXPQ-QGZVFWFLSA-N 2 0 374.485 2.943 20 5 FFBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900781 520806138 /nfs/dbraw/zinc/80/61/38/520806138.db2.gz LDZAMUXLZMYIFT-GDBMZVCRSA-N 2 0 360.458 2.633 20 5 FFBDRP C[NH+](C)CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)C ZINC000602547344 521405326 /nfs/dbraw/zinc/40/53/26/521405326.db2.gz SRFRAWGELSWACC-KRWDZBQOSA-N 2 0 363.506 2.915 20 5 FFBDRP CCC[NH+]1CCC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602553722 521410448 /nfs/dbraw/zinc/41/04/48/521410448.db2.gz WVROZPAXTGZVKV-UHFFFAOYSA-N 2 0 361.490 2.670 20 5 FFBDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036524 731722936 /nfs/dbraw/zinc/72/29/36/731722936.db2.gz TVSPWSXVCHGJPE-ZIAGYGMSSA-N 2 0 350.438 2.553 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873292964 1013465127 /nfs/dbraw/zinc/46/51/27/1013465127.db2.gz WVRINTHHBAYIRX-GDBMZVCRSA-N 2 0 363.458 2.803 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873292968 1013465154 /nfs/dbraw/zinc/46/51/54/1013465154.db2.gz WVRINTHHBAYIRX-HOCLYGCPSA-N 2 0 363.458 2.803 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)c(C(F)(F)F)c1 ZINC000178972155 967687806 /nfs/dbraw/zinc/68/78/06/967687806.db2.gz QYYKYAFWZSWUIX-UHFFFAOYSA-N 2 0 372.391 2.735 20 5 FFBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000876988549 1014441536 /nfs/dbraw/zinc/44/15/36/1014441536.db2.gz GFEZVDCPZVIGJX-LMDPOFIKSA-N 2 0 369.469 2.997 20 5 FFBDRP C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877168439 1014496165 /nfs/dbraw/zinc/49/61/65/1014496165.db2.gz UJBNMZSALXHTEE-SVUBNXHSSA-N 2 0 369.469 2.995 20 5 FFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423672 1028164626 /nfs/dbraw/zinc/16/46/26/1028164626.db2.gz JDXKGHLVZXSWIQ-AVRDEDQJSA-N 2 0 359.473 2.779 20 5 FFBDRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccccc1C[N+](C)(C)CC ZINC001162733611 1028639051 /nfs/dbraw/zinc/63/90/51/1028639051.db2.gz PVWSUZMIJWFRGZ-LJQANCHMSA-N 2 0 350.527 2.826 20 5 FFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365925 1034692289 /nfs/dbraw/zinc/69/22/89/1034692289.db2.gz JQRSYEXOYRXNEG-QHAWAJNXSA-N 2 0 365.452 2.679 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@H]3CCC[NH2+][C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001246107693 1039246279 /nfs/dbraw/zinc/24/62/79/1039246279.db2.gz GQEOLUWCHZIXPY-LSDHHAIUSA-N 2 0 362.474 2.550 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C1)CC2 ZINC001246658071 1039430815 /nfs/dbraw/zinc/43/08/15/1039430815.db2.gz TWNSOUIXOLSGLV-UXLLHSPISA-N 2 0 369.387 2.926 20 5 FFBDRP CCC[NH+]1C[C@@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]2C1 ZINC001254482102 1040750257 /nfs/dbraw/zinc/75/02/57/1040750257.db2.gz IHTXMETWYRGWNL-IAGOWNOFSA-N 2 0 358.486 2.837 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000268962971 510162806 /nfs/dbraw/zinc/16/28/06/510162806.db2.gz XTKZXXZCQCZLRP-RBUKOAKNSA-N 2 0 361.486 2.742 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178645449 510702560 /nfs/dbraw/zinc/70/25/60/510702560.db2.gz CIZIAWCSKCELNT-OAHLLOKOSA-N 2 0 355.442 2.592 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247302642 510856104 /nfs/dbraw/zinc/85/61/04/510856104.db2.gz UVHXXHFGUIQRJF-MAUKXSAKSA-N 2 0 360.458 2.648 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000271454074 511210263 /nfs/dbraw/zinc/21/02/63/511210263.db2.gz FAVGCHHYVXISQP-SESVDKBCSA-N 2 0 373.497 2.883 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000271454073 511210459 /nfs/dbraw/zinc/21/04/59/511210459.db2.gz FAVGCHHYVXISQP-JBACZVJFSA-N 2 0 373.497 2.883 20 5 FFBDRP CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000283662573 511453270 /nfs/dbraw/zinc/45/32/70/511453270.db2.gz BZZAAGJLLMQGIK-YLJYHZDGSA-N 2 0 368.437 2.958 20 5 FFBDRP Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363663802 511692406 /nfs/dbraw/zinc/69/24/06/511692406.db2.gz GKVXXWNHLGDLEH-MRXNPFEDSA-N 2 0 356.426 2.539 20 5 FFBDRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435369856 513567506 /nfs/dbraw/zinc/56/75/06/513567506.db2.gz NEJRZHSRACFVMI-LLVKDONJSA-N 2 0 373.400 2.807 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420344291 514103226 /nfs/dbraw/zinc/10/32/26/514103226.db2.gz SNZJELLNLMEZPY-XHSDSOJGSA-N 2 0 360.458 2.552 20 5 FFBDRP Cc1cccc([N+](=O)[O-])c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000548613458 517087979 /nfs/dbraw/zinc/08/79/79/517087979.db2.gz ZCBOZAWVCYTRRW-UHFFFAOYSA-N 2 0 355.442 2.922 20 5 FFBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000570389219 518580929 /nfs/dbraw/zinc/58/09/29/518580929.db2.gz WAKHMJPKIOGDTP-AZUAARDMSA-N 2 0 369.421 2.819 20 5 FFBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000577661973 519192041 /nfs/dbraw/zinc/19/20/41/519192041.db2.gz GEGLSTIFZJVZLC-UHFFFAOYSA-N 2 0 360.458 2.780 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595013151 520256438 /nfs/dbraw/zinc/25/64/38/520256438.db2.gz QUPDQWXZKWBMGD-HOTGVXAUSA-N 2 0 364.490 2.528 20 5 FFBDRP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900783 520805259 /nfs/dbraw/zinc/80/52/59/520805259.db2.gz LDZAMUXLZMYIFT-HOCLYGCPSA-N 2 0 360.458 2.633 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000872030847 731722568 /nfs/dbraw/zinc/72/25/68/731722568.db2.gz CQXDEILGHXSOIL-CABCVRRESA-N 2 0 366.531 2.851 20 5 FFBDRP COc1c(O)ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000891745367 734471028 /nfs/dbraw/zinc/47/10/28/734471028.db2.gz HFAGQOCTWUBBRF-UHFFFAOYSA-N 2 0 351.447 2.861 20 5 FFBDRP CC(C)[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000892534960 734570520 /nfs/dbraw/zinc/57/05/20/734570520.db2.gz BNCOOJZJDCADAH-KRWDZBQOSA-N 2 0 354.882 2.610 20 5 FFBDRP O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000923358126 738275188 /nfs/dbraw/zinc/27/51/88/738275188.db2.gz DDCCXPKEJSRGHE-UHFFFAOYSA-N 2 0 354.248 2.933 20 5 FFBDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000894377079 965117427 /nfs/dbraw/zinc/11/74/27/965117427.db2.gz YIJFTTURGFDCFB-UHFFFAOYSA-N 2 0 374.407 2.731 20 5 FFBDRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000906518518 980674823 /nfs/dbraw/zinc/67/48/23/980674823.db2.gz ZHUJXHQUZUTLCE-WKILWMFISA-N 2 0 357.410 2.762 20 5 FFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000764157136 984331405 /nfs/dbraw/zinc/33/14/05/984331405.db2.gz ZGUGMLALTAWYQK-UHFFFAOYSA-N 2 0 359.474 2.853 20 5 FFBDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001199257773 1004888095 /nfs/dbraw/zinc/88/80/95/1004888095.db2.gz HTUKHOZRJXEHLU-MRXNPFEDSA-N 2 0 372.469 2.970 20 5 FFBDRP CC(C)(O)C1C[NH+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001206185654 1032179252 /nfs/dbraw/zinc/17/92/52/1032179252.db2.gz CMXUIRNWYOBAED-UHFFFAOYSA-N 2 0 361.486 2.552 20 5 FFBDRP CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173175464 1012318518 /nfs/dbraw/zinc/31/85/18/1012318518.db2.gz CPFTYIIPZRPCMD-ZDUSSCGKSA-N 2 0 353.438 2.995 20 5 FFBDRP [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@H]4[C@@H]5C[NH2+]C[C@@H]54)c4ccccc43)oc-2c1 ZINC001219371860 1033622214 /nfs/dbraw/zinc/62/22/14/1033622214.db2.gz LXMPUPSCTBCTRW-QVDMIQRCSA-N 2 0 370.412 2.969 20 5 FFBDRP COc1ccc(C[C@@H](C)[NH+]2CCC(C3=CC=C(N)C[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC001246494726 1039369829 /nfs/dbraw/zinc/36/98/29/1039369829.db2.gz KZPQTWVZFMVSKA-CQSZACIVSA-N 2 0 372.469 2.576 20 5 FFBDRP C[NH+](C)Cc1ccc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001249341553 1040692950 /nfs/dbraw/zinc/69/29/50/1040692950.db2.gz BONRATFSQIVWDL-QGZVFWFLSA-N 2 0 367.409 2.949 20 5 FFBDRP CC[C@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001308659732 1052483445 /nfs/dbraw/zinc/48/34/45/1052483445.db2.gz AMWJDZNDPKRMJE-FQEVSTJZSA-N 2 0 361.486 2.960 20 5 FFBDRP Cc1c(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC001473965925 1065429168 /nfs/dbraw/zinc/42/91/68/1065429168.db2.gz MAZYHVXGDAQYBH-UHFFFAOYSA-N 2 0 369.469 2.600 20 5 FFBDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000245569852 510014647 /nfs/dbraw/zinc/01/46/47/510014647.db2.gz YSILAMZJZXBKFV-AZUAARDMSA-N 2 0 374.529 2.923 20 5 FFBDRP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292212278 511507804 /nfs/dbraw/zinc/50/78/04/511507804.db2.gz UESHDRGNVAKQTG-UGSOOPFHSA-N 2 0 357.414 2.733 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000442879031 513802450 /nfs/dbraw/zinc/80/24/50/513802450.db2.gz UZHUGDDHCSXRQI-PKOBYXMFSA-N 2 0 374.529 2.922 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000449183342 514103942 /nfs/dbraw/zinc/10/39/42/514103942.db2.gz FQWYKWQCZFJELI-UIAACRFSSA-N 2 0 361.486 2.883 20 5 FFBDRP CCC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403199 514131490 /nfs/dbraw/zinc/13/14/90/514131490.db2.gz ZBQUDBWGOOPIGQ-CVEARBPZSA-N 2 0 374.407 2.862 20 5 FFBDRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417320172 514293025 /nfs/dbraw/zinc/29/30/25/514293025.db2.gz JEUWEEFEAJKDRH-HXUWFJFHSA-N 2 0 360.502 2.978 20 5 FFBDRP Cn1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415023663 514405541 /nfs/dbraw/zinc/40/55/41/514405541.db2.gz LNWIDCLKUGOLBU-SHTZXODSSA-N 2 0 357.458 2.850 20 5 FFBDRP CN(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000572732059 518336044 /nfs/dbraw/zinc/33/60/44/518336044.db2.gz PJVAZPMSLYGULX-MSOLQXFVSA-N 2 0 357.458 2.997 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)OCCO2 ZINC000594736107 520123025 /nfs/dbraw/zinc/12/30/25/520123025.db2.gz PWXIAYJONSUZOB-HNNXBMFYSA-N 2 0 361.442 2.578 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901309 520808410 /nfs/dbraw/zinc/80/84/10/520808410.db2.gz VFKAADMCWJQREO-MRXNPFEDSA-N 2 0 360.458 2.553 20 5 FFBDRP CC(C)C[N@H+](C)CCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000593646940 521128984 /nfs/dbraw/zinc/12/89/84/521128984.db2.gz UFWNLTZNZIQAEB-SFHVURJKSA-N 2 0 359.474 2.985 20 5 FFBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000593735961 521182519 /nfs/dbraw/zinc/18/25/19/521182519.db2.gz AYJYDPNHUMBGQB-YSVLISHTSA-N 2 0 353.850 2.967 20 5 FFBDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602504069 521383700 /nfs/dbraw/zinc/38/37/00/521383700.db2.gz RPBSHHOMAIWHMW-INIZCTEOSA-N 2 0 361.490 2.813 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000872034649 731722846 /nfs/dbraw/zinc/72/28/46/731722846.db2.gz QCLZUCJJCVLHTR-KBPBESRZSA-N 2 0 352.504 2.603 20 5 FFBDRP O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510917 736103983 /nfs/dbraw/zinc/10/39/83/736103983.db2.gz UNHNSJDIKXXJRB-CALCHBBNSA-N 2 0 364.877 2.649 20 5 FFBDRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000922385381 738134846 /nfs/dbraw/zinc/13/48/46/738134846.db2.gz ASZDZKJNAYTHMH-BRSBDYLESA-N 2 0 367.877 2.818 20 5 FFBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000825275239 743238922 /nfs/dbraw/zinc/23/89/22/743238922.db2.gz BBNUXOLEJOVDFV-UHFFFAOYSA-N 2 0 354.882 2.754 20 5 FFBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000844902201 748131749 /nfs/dbraw/zinc/13/17/49/748131749.db2.gz KZGIVXHBXUNEKP-SUYBPPKGSA-N 2 0 353.850 2.967 20 5 FFBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000844902198 748132045 /nfs/dbraw/zinc/13/20/45/748132045.db2.gz KZGIVXHBXUNEKP-DXCKQFNASA-N 2 0 353.850 2.967 20 5 FFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000873031344 1013356020 /nfs/dbraw/zinc/35/60/20/1013356020.db2.gz SZFDMAUNMABLCP-UHFFFAOYSA-N 2 0 360.502 2.860 20 5 FFBDRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])cc1OC(F)F ZINC000262082595 963105144 /nfs/dbraw/zinc/10/51/44/963105144.db2.gz TYXMXONOAPXYQH-UHFFFAOYSA-N 2 0 371.384 2.780 20 5 FFBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)C2)c1 ZINC000877007458 1014447419 /nfs/dbraw/zinc/44/74/19/1014447419.db2.gz QXIPFXVSNHHLEQ-LMDPOFIKSA-N 2 0 369.469 2.649 20 5 FFBDRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128823633 979981697 /nfs/dbraw/zinc/98/16/97/979981697.db2.gz IXOXRMVKGOHGTD-UHFFFAOYSA-N 2 0 366.437 2.869 20 5 FFBDRP C[NH+]1CCC2(CCC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)CC1 ZINC000878550157 1015096729 /nfs/dbraw/zinc/09/67/29/1015096729.db2.gz WMWQMTYUMDHOMQ-UHFFFAOYSA-N 2 0 371.441 2.953 20 5 FFBDRP COCC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000879127556 1015375860 /nfs/dbraw/zinc/37/58/60/1015375860.db2.gz YEYANYQJCRMVPA-UHFFFAOYSA-N 2 0 369.437 2.533 20 5 FFBDRP [NH3+]CCC[C@@H]([NH3+])Nc1nc2ccsc2c(Oc2cccc([N+](=O)[O-])c2)n1 ZINC001170897706 1007896186 /nfs/dbraw/zinc/89/61/86/1007896186.db2.gz JEDRDRBLSWCRBA-ZDUSSCGKSA-N 2 0 374.426 2.827 20 5 FFBDRP Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130591907 1009350109 /nfs/dbraw/zinc/35/01/09/1009350109.db2.gz BXJLJLULNAVHDW-CQSZACIVSA-N 2 0 359.430 2.757 20 5 FFBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000866270173 1010966996 /nfs/dbraw/zinc/96/69/96/1010966996.db2.gz SOQOJBIFWLFPHK-CABCVRRESA-N 2 0 365.449 2.755 20 5 FFBDRP C[C@@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1n1ccnc1 ZINC000121676781 1011068618 /nfs/dbraw/zinc/06/86/18/1011068618.db2.gz OOZXQPLWAAWOJO-PBHICJAKSA-N 2 0 367.413 2.590 20 5 FFBDRP C[C@H]1CN(C)CC[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014929 1012187283 /nfs/dbraw/zinc/18/72/83/1012187283.db2.gz WOZUKYJIEWLORX-YVEFUNNKSA-N 2 0 368.428 2.772 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1F ZINC001173180579 1012324597 /nfs/dbraw/zinc/32/45/97/1012324597.db2.gz WWJZTVNGWUVQGB-YIYPIFLZSA-N 2 0 351.422 2.888 20 5 FFBDRP [NH3+]C1CCN(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000925810815 1017855550 /nfs/dbraw/zinc/85/55/50/1017855550.db2.gz GGWBERORVLHMTB-FQEVSTJZSA-N 2 0 354.454 2.697 20 5 FFBDRP Cc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782947199 1029860826 /nfs/dbraw/zinc/86/08/26/1029860826.db2.gz FAMDSBZHOXJCSY-QGZVFWFLSA-N 2 0 370.453 2.929 20 5 FFBDRP [NH3+]CC1CC[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001246540685 1039387164 /nfs/dbraw/zinc/38/71/64/1039387164.db2.gz WPKQKTJLXBISIT-UHFFFAOYSA-N 2 0 354.401 2.513 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](Cc3ccccn3)CC1)C2 ZINC001254584400 1040816153 /nfs/dbraw/zinc/81/61/53/1040816153.db2.gz HRHSBNYBWSYABD-HXUWFJFHSA-N 2 0 366.465 2.959 20 5 FFBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000185877424 509400892 /nfs/dbraw/zinc/40/08/92/509400892.db2.gz ZPDVFFDXYXLCLU-INIZCTEOSA-N 2 0 372.469 2.970 20 5 FFBDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236932799 509536544 /nfs/dbraw/zinc/53/65/44/509536544.db2.gz LEBOESTVORFBOG-OAHLLOKOSA-N 2 0 357.458 2.817 20 5 FFBDRP COc1ccc(OCC[NH+]2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000173559870 509652627 /nfs/dbraw/zinc/65/26/27/509652627.db2.gz QRBVNJUGBVLTJD-UHFFFAOYSA-N 2 0 351.447 2.646 20 5 FFBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CC[NH+](C)CC1 ZINC000271109512 511086287 /nfs/dbraw/zinc/08/62/87/511086287.db2.gz GYGVMLMOIBYVDS-INIZCTEOSA-N 2 0 366.531 2.693 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000271121916 511088777 /nfs/dbraw/zinc/08/87/77/511088777.db2.gz JQQCFQPGGNMJJK-WBVHZDCISA-N 2 0 365.474 2.881 20 5 FFBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000271135019 511094301 /nfs/dbraw/zinc/09/43/01/511094301.db2.gz MSXQGCZLWXDQID-CVEARBPZSA-N 2 0 366.531 2.691 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000271481720 511219285 /nfs/dbraw/zinc/21/92/85/511219285.db2.gz NPSMRMKGRIXIGK-QFBILLFUSA-N 2 0 365.474 2.700 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293054531 511822999 /nfs/dbraw/zinc/82/29/99/511822999.db2.gz UEVKTORKJLCGAL-LJQANCHMSA-N 2 0 360.458 2.650 20 5 FFBDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425976339 513813085 /nfs/dbraw/zinc/81/30/85/513813085.db2.gz QRRXKJBSUMJSMK-UHFFFAOYSA-N 2 0 367.413 2.518 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340628 514100922 /nfs/dbraw/zinc/10/09/22/514100922.db2.gz MXOBJYSKCYLYNQ-HZPDHXFCSA-N 2 0 360.458 2.553 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423526129 514162527 /nfs/dbraw/zinc/16/25/27/514162527.db2.gz YYKWETKIBWLZRQ-SOAGJPPSSA-N 2 0 372.513 2.722 20 5 FFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433166939 514404141 /nfs/dbraw/zinc/40/41/41/514404141.db2.gz LVXNKAZADVCMPV-DNVCBOLYSA-N 2 0 360.502 2.933 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415135247 514461951 /nfs/dbraw/zinc/46/19/51/514461951.db2.gz PZHYDLCTVNIZPN-UHFFFAOYSA-N 2 0 368.481 2.986 20 5 FFBDRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000511824553 516044441 /nfs/dbraw/zinc/04/44/41/516044441.db2.gz USYYBEOSEYDGIK-UHFFFAOYSA-N 2 0 368.481 2.844 20 5 FFBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493524 520415683 /nfs/dbraw/zinc/41/56/83/520415683.db2.gz UBORCMQXIKAKSB-HZPDHXFCSA-N 2 0 360.458 2.553 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493002 520416271 /nfs/dbraw/zinc/41/62/71/520416271.db2.gz LGPCFSNHDHSLQE-SJORKVTESA-N 2 0 374.485 2.943 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592494016 520416720 /nfs/dbraw/zinc/41/67/20/520416720.db2.gz ZHJZLYUSVJSRHO-JKSUJKDBSA-N 2 0 360.458 2.635 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901292 520807814 /nfs/dbraw/zinc/80/78/14/520807814.db2.gz UUEAVHDNCMVHTI-ZBFHGGJFSA-N 2 0 360.458 2.633 20 5 FFBDRP CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C[NH+]1CCCC1 ZINC000602628375 521444121 /nfs/dbraw/zinc/44/41/21/521444121.db2.gz APAPVASRKFATEH-UHFFFAOYSA-N 2 0 361.490 2.670 20 5 FFBDRP CC(C)[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C)CC1 ZINC000064620257 728151723 /nfs/dbraw/zinc/15/17/23/728151723.db2.gz XQLNJHARGAUOML-KRWDZBQOSA-N 2 0 354.882 2.610 20 5 FFBDRP COCCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866255383 731044220 /nfs/dbraw/zinc/04/42/20/731044220.db2.gz RRLGPBLEYHGJKA-CQSZACIVSA-N 2 0 353.438 2.755 20 5 FFBDRP CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000892534961 734570336 /nfs/dbraw/zinc/57/03/36/734570336.db2.gz BNCOOJZJDCADAH-QGZVFWFLSA-N 2 0 354.882 2.610 20 5 FFBDRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000922394540 738136811 /nfs/dbraw/zinc/13/68/11/738136811.db2.gz XBJASLBKKKGERX-MUIFIZLQSA-N 2 0 353.488 2.616 20 5 FFBDRP C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1CC[NH3+] ZINC000846225406 748434069 /nfs/dbraw/zinc/43/40/69/748434069.db2.gz ASPDCUZDUIFHTI-LRDDRELGSA-N 2 0 352.410 2.512 20 5 FFBDRP Cc1c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000873135557 1013397934 /nfs/dbraw/zinc/39/79/34/1013397934.db2.gz JRFHJDFMNQYYAO-LJQANCHMSA-N 2 0 355.438 2.760 20 5 FFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669316 1014667849 /nfs/dbraw/zinc/66/78/49/1014667849.db2.gz DAKLAZVQLJOHFF-FOQVZNEXSA-N 2 0 360.502 2.669 20 5 FFBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000819016291 1008024792 /nfs/dbraw/zinc/02/47/92/1008024792.db2.gz WUNFZMFPRUVYMT-NQIIRXRSSA-N 2 0 369.465 2.782 20 5 FFBDRP CN(C)C1(C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001180953631 1009911813 /nfs/dbraw/zinc/91/18/13/1009911813.db2.gz RGXPNOBRGFLXEX-UHFFFAOYSA-N 2 0 374.529 2.923 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866260621 1010964703 /nfs/dbraw/zinc/96/47/03/1010964703.db2.gz WCSFAAGORKIDIJ-JKSUJKDBSA-N 2 0 366.481 2.528 20 5 FFBDRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173011691 1012181547 /nfs/dbraw/zinc/18/15/47/1012181547.db2.gz JNEJZLQUFMAQKP-ZDUSSCGKSA-N 2 0 368.428 2.916 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC23CC[NH+](CC2)CC3)c1F ZINC001173187481 1012328533 /nfs/dbraw/zinc/32/85/33/1012328533.db2.gz DMDYGJYANVETCN-ZDUSSCGKSA-N 2 0 351.422 2.749 20 5 FFBDRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000902428515 1020195598 /nfs/dbraw/zinc/19/55/98/1020195598.db2.gz DUDZDNBGVLMWOD-CABCVRRESA-N 2 0 363.458 2.609 20 5 FFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550275 1028223928 /nfs/dbraw/zinc/22/39/28/1028223928.db2.gz GUIXSXFBWYXNBF-NRFANRHFSA-N 2 0 359.473 2.827 20 5 FFBDRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842472314 1030747441 /nfs/dbraw/zinc/74/74/41/1030747441.db2.gz COIFSCHPFAEONA-INIZCTEOSA-N 2 0 364.421 2.527 20 5 FFBDRP COc1cc(C[N@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000843054821 1031163918 /nfs/dbraw/zinc/16/39/18/1031163918.db2.gz JGEMTVJTNPWMIW-UHFFFAOYSA-N 2 0 373.400 2.949 20 5 FFBDRP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[NH2+]1 ZINC001246098878 1039244415 /nfs/dbraw/zinc/24/44/15/1039244415.db2.gz QCIDIIIZEWBQAX-CHWSQXEVSA-N 2 0 368.428 2.820 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC001254585177 1040816272 /nfs/dbraw/zinc/81/62/72/1040816272.db2.gz LFOHKGICXHEUPF-GOSISDBHSA-N 2 0 359.470 2.543 20 5 FFBDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279071623 256378200 /nfs/dbraw/zinc/37/82/00/256378200.db2.gz LUOUIDOJMWBIBO-LJQANCHMSA-N 2 0 360.502 2.934 20 5 FFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081095207 508137336 /nfs/dbraw/zinc/13/73/36/508137336.db2.gz PAIWRGMEBYZRNU-QAPCUYQASA-N 2 0 362.474 2.894 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139853970 508796224 /nfs/dbraw/zinc/79/62/24/508796224.db2.gz UVHXXHFGUIQRJF-CRAIPNDOSA-N 2 0 360.458 2.648 20 5 FFBDRP Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000159156004 508801152 /nfs/dbraw/zinc/80/11/52/508801152.db2.gz BOCDKXHRQQWHBD-INIZCTEOSA-N 2 0 369.469 2.901 20 5 FFBDRP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173949077 509870708 /nfs/dbraw/zinc/87/07/08/509870708.db2.gz MENQNJQTZZLLMP-UHFFFAOYSA-N 2 0 363.458 2.550 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261643138 510011241 /nfs/dbraw/zinc/01/12/41/510011241.db2.gz FUNSPMWZETVHCD-AEFFLSMTSA-N 2 0 368.437 2.516 20 5 FFBDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000245569866 510015085 /nfs/dbraw/zinc/01/50/85/510015085.db2.gz YSILAMZJZXBKFV-QUCCMNQESA-N 2 0 374.529 2.923 20 5 FFBDRP [NH3+]C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1 ZINC000261878938 510099362 /nfs/dbraw/zinc/09/93/62/510099362.db2.gz YFPKWQJNLQEUMG-ZBFHGGJFSA-N 2 0 352.394 2.910 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000268962967 510162463 /nfs/dbraw/zinc/16/24/63/510162463.db2.gz XTKZXXZCQCZLRP-MOPGFXCFSA-N 2 0 361.486 2.742 20 5 FFBDRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175012939 510435441 /nfs/dbraw/zinc/43/54/41/510435441.db2.gz ZNDGVASYFSFNGK-SJLPKXTDSA-N 2 0 357.458 2.958 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292965009 511788817 /nfs/dbraw/zinc/78/88/17/511788817.db2.gz LTARZEQZZNCUSM-LJQANCHMSA-N 2 0 360.458 2.650 20 5 FFBDRP CN1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)CC1 ZINC000367518177 512538881 /nfs/dbraw/zinc/53/88/81/512538881.db2.gz MIPNRYWVKZOYNF-CYBMUJFWSA-N 2 0 370.400 2.777 20 5 FFBDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000421366621 513238436 /nfs/dbraw/zinc/23/84/36/513238436.db2.gz CUVLLFROOYPXJB-UHFFFAOYSA-N 2 0 360.502 2.895 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000449183343 514104719 /nfs/dbraw/zinc/10/47/19/514104719.db2.gz FQWYKWQCZFJELI-XPGWFJOJSA-N 2 0 361.486 2.883 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415130633 514458886 /nfs/dbraw/zinc/45/88/86/514458886.db2.gz XMAIGQJVSPGSNQ-QFBILLFUSA-N 2 0 363.458 2.712 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415130734 514459063 /nfs/dbraw/zinc/45/90/63/514459063.db2.gz XMAIGQJVSPGSNQ-VQIMIIECSA-N 2 0 363.458 2.712 20 5 FFBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000504896546 515405383 /nfs/dbraw/zinc/40/53/83/515405383.db2.gz YMRWMTRLLPOJOR-GJZGRUSLSA-N 2 0 353.488 2.512 20 5 FFBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347902 519603116 /nfs/dbraw/zinc/60/31/16/519603116.db2.gz WYOJGXCJTLWMIC-IBGZPJMESA-N 2 0 360.502 2.978 20 5 FFBDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000592428422 520388138 /nfs/dbraw/zinc/38/81/38/520388138.db2.gz KSZZWYBBLHQTKB-UHFFFAOYSA-N 2 0 360.483 2.660 20 5 FFBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492823 520415383 /nfs/dbraw/zinc/41/53/83/520415383.db2.gz DJZLNBOLVZQACJ-OAGGEKHMSA-N 2 0 360.458 2.633 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592492976 520416068 /nfs/dbraw/zinc/41/60/68/520416068.db2.gz KEERMHCJHQPWRL-HOTGVXAUSA-N 2 0 360.458 2.635 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600762515 520454662 /nfs/dbraw/zinc/45/46/62/520454662.db2.gz CWWQJDGXXPSVLT-SFHVURJKSA-N 2 0 363.458 2.584 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505022 520513456 /nfs/dbraw/zinc/51/34/56/520513456.db2.gz PKTZHOBACJDRJO-IBGZPJMESA-N 2 0 360.458 2.650 20 5 FFBDRP O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000595886674 520793201 /nfs/dbraw/zinc/79/32/01/520793201.db2.gz YAJKTMGAQVIHIN-UHFFFAOYSA-N 2 0 352.438 2.563 20 5 FFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602809366 521545545 /nfs/dbraw/zinc/54/55/45/521545545.db2.gz BXADCXHULZBGMD-YJBOKZPZSA-N 2 0 357.458 2.600 20 5 FFBDRP COc1cc(C[N@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000843055340 747757783 /nfs/dbraw/zinc/75/77/83/747757783.db2.gz ZILVQQWHDMTHNE-UHFFFAOYSA-N 2 0 359.373 2.907 20 5 FFBDRP Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000876781098 1014389987 /nfs/dbraw/zinc/38/99/87/1014389987.db2.gz CTQBWSWOVQNIQD-APWZRJJASA-N 2 0 360.502 2.669 20 5 FFBDRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904411378 980270019 /nfs/dbraw/zinc/27/00/19/980270019.db2.gz UXAMTQGVUXTRKZ-RYUDHWBXSA-N 2 0 373.400 2.664 20 5 FFBDRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2)[C@H]1C(C)C ZINC000922395039 988557059 /nfs/dbraw/zinc/55/70/59/988557059.db2.gz PXTJJXHWUROENQ-VBSBHUPXSA-N 2 0 361.486 2.863 20 5 FFBDRP Cc1c(C[C@@H](C[NH3+])C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1C ZINC000903886979 1016289366 /nfs/dbraw/zinc/28/93/66/1016289366.db2.gz WEBGZPCEYZLULY-KRWDZBQOSA-N 2 0 359.474 2.665 20 5 FFBDRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000859213699 1008488233 /nfs/dbraw/zinc/48/82/33/1008488233.db2.gz ZUTODGGAQKKICO-SFHVURJKSA-N 2 0 373.453 2.528 20 5 FFBDRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903090860 1020672338 /nfs/dbraw/zinc/67/23/38/1020672338.db2.gz IJSZPHSNSRHMCF-OAHLLOKOSA-N 2 0 364.490 2.528 20 5 FFBDRP CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160736940 1027844785 /nfs/dbraw/zinc/84/47/85/1027844785.db2.gz ADSNUSZJWVHFCW-FQEVSTJZSA-N 2 0 367.518 2.971 20 5 FFBDRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842474332 1030750491 /nfs/dbraw/zinc/75/04/91/1030750491.db2.gz NVKQSYULAPZNMB-DYVFJYSZSA-N 2 0 364.421 2.527 20 5 FFBDRP CC[C@@H](c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1)[C@@H](C)C[NH+](C)C ZINC001228899245 1036390073 /nfs/dbraw/zinc/39/00/73/1036390073.db2.gz QNTHQDIMVOOSHT-ILZDJORESA-N 2 0 365.538 2.741 20 5 FFBDRP CCC[N@H+](CCC[NH3+])C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256084434 1038369092 /nfs/dbraw/zinc/36/90/92/1038369092.db2.gz DAJCDLJOALJOPL-UHFFFAOYSA-N 2 0 350.463 2.633 20 5 FFBDRP COc1cc(N2CCC([NH2+]C3CCN(C4CC4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087575 1038372562 /nfs/dbraw/zinc/37/25/62/1038372562.db2.gz GDRHIKXEFOYVOJ-UHFFFAOYSA-N 2 0 374.485 2.789 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001246352354 1039322621 /nfs/dbraw/zinc/32/26/21/1039322621.db2.gz XGLGHQLZDBFBPC-MRXNPFEDSA-N 2 0 354.454 2.725 20 5 FFBDRP CC[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001308659733 1052483378 /nfs/dbraw/zinc/48/33/78/1052483378.db2.gz AMWJDZNDPKRMJE-HXUWFJFHSA-N 2 0 361.486 2.960 20 5 FFBDRP C[NH+](C)Cc1ccccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001353237528 1056217386 /nfs/dbraw/zinc/21/73/86/1056217386.db2.gz AXJGVGPVBMAFBD-UHFFFAOYSA-N 2 0 356.426 2.775 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC001461994115 1061473361 /nfs/dbraw/zinc/47/33/61/1061473361.db2.gz GKHNNEWWFJBJGT-NRFANRHFSA-N 2 0 369.465 2.884 20 5 FFBDRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000106468524 250270891 /nfs/dbraw/zinc/27/08/91/250270891.db2.gz AAWWPDBYDJPVDQ-GASCZTMLSA-N 2 0 351.447 2.582 20 5 FFBDRP CC(C)[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC[NH+](C)CC1 ZINC000132410682 509028338 /nfs/dbraw/zinc/02/83/38/509028338.db2.gz WBDWXGKMYFMZCD-PZJWPPBQSA-N 2 0 374.529 2.778 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000192464485 509530532 /nfs/dbraw/zinc/53/05/32/509530532.db2.gz FKNWIXYOJCSTJX-OAHLLOKOSA-N 2 0 355.442 2.592 20 5 FFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245433183 509928748 /nfs/dbraw/zinc/92/87/48/509928748.db2.gz PAIWRGMEBYZRNU-MAUKXSAKSA-N 2 0 362.474 2.894 20 5 FFBDRP Cc1c([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000177826816 510276095 /nfs/dbraw/zinc/27/60/95/510276095.db2.gz XSHHBAMURBQFQV-INIZCTEOSA-N 2 0 369.469 2.901 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246487536 510514863 /nfs/dbraw/zinc/51/48/63/510514863.db2.gz GYGPZIODBMOILR-ZRGWGRIASA-N 2 0 372.469 2.871 20 5 FFBDRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178645433 510702398 /nfs/dbraw/zinc/70/23/98/510702398.db2.gz CIZIAWCSKCELNT-HNNXBMFYSA-N 2 0 355.442 2.592 20 5 FFBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000271024206 511061126 /nfs/dbraw/zinc/06/11/26/511061126.db2.gz AYHQGVKDHWTBTM-HOTGVXAUSA-N 2 0 366.531 2.691 20 5 FFBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CC[NH+](C)CC1 ZINC000271109513 511086630 /nfs/dbraw/zinc/08/66/30/511086630.db2.gz GYGVMLMOIBYVDS-MRXNPFEDSA-N 2 0 366.531 2.693 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000441374355 513554563 /nfs/dbraw/zinc/55/45/63/513554563.db2.gz FCUBLRGOZHLZMN-UHFFFAOYSA-N 2 0 372.469 2.970 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000442879028 513803144 /nfs/dbraw/zinc/80/31/44/513803144.db2.gz UZHUGDDHCSXRQI-HKUYNNGSSA-N 2 0 374.529 2.922 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC4(CC[NH2+]C4)CC3)o2)c1 ZINC000431021845 513807627 /nfs/dbraw/zinc/80/76/27/513807627.db2.gz DQAMXSMZPZSLPY-UHFFFAOYSA-N 2 0 356.426 2.868 20 5 FFBDRP CCOc1cc(N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000414759367 514277846 /nfs/dbraw/zinc/27/78/46/514277846.db2.gz WGIKMUUUUNWFFR-JKSUJKDBSA-N 2 0 362.474 2.504 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492968 520416430 /nfs/dbraw/zinc/41/64/30/520416430.db2.gz JVAUFIOWCXKHLM-HOTGVXAUSA-N 2 0 360.458 2.553 20 5 FFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000593321580 520907781 /nfs/dbraw/zinc/90/77/81/520907781.db2.gz ZZZYOHVOTUUQMK-LBPRGKRZSA-N 2 0 360.389 2.700 20 5 FFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000602020004 521082441 /nfs/dbraw/zinc/08/24/41/521082441.db2.gz HNBNIAAERGPGPO-CQSZACIVSA-N 2 0 368.437 2.747 20 5 FFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602809363 521545756 /nfs/dbraw/zinc/54/57/56/521545756.db2.gz BXADCXHULZBGMD-CRAIPNDOSA-N 2 0 357.458 2.600 20 5 FFBDRP COc1c(O)ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892583312 734576645 /nfs/dbraw/zinc/57/66/45/734576645.db2.gz CCNQZIVLALKBOB-AWEZNQCLSA-N 2 0 351.447 2.911 20 5 FFBDRP O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC001184315490 1002556655 /nfs/dbraw/zinc/55/66/55/1002556655.db2.gz WJWWJZZMCCSHLA-UHFFFAOYSA-N 2 0 353.382 2.890 20 5 FFBDRP Cc1cc(Cl)c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000855347238 1007296034 /nfs/dbraw/zinc/29/60/34/1007296034.db2.gz ZIGZESCRNOBNCU-ZDUSSCGKSA-N 2 0 370.881 2.558 20 5 FFBDRP CC[NH+]1CCC(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173175463 1012318944 /nfs/dbraw/zinc/31/89/44/1012318944.db2.gz CPFTYIIPZRPCMD-CYBMUJFWSA-N 2 0 353.438 2.995 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC23CC[NH+](CC2)CC3)c1F ZINC001173187480 1012328510 /nfs/dbraw/zinc/32/85/10/1012328510.db2.gz DMDYGJYANVETCN-CYBMUJFWSA-N 2 0 351.422 2.749 20 5 FFBDRP COc1cc([C@H](C)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc([N+](=O)[O-])c1 ZINC000903123904 1020689531 /nfs/dbraw/zinc/68/95/31/1020689531.db2.gz CTPURCUYXAYGLV-AGRHKRQWSA-N 2 0 363.458 2.632 20 5 FFBDRP C[NH+]1CCC(C[NH+]2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)CC1 ZINC001157837617 1029672891 /nfs/dbraw/zinc/67/28/91/1029672891.db2.gz DXNNQLGAEMGYLG-UHFFFAOYSA-N 2 0 369.469 2.607 20 5 FFBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@]1(C)CC[NH2+]C1 ZINC001219005897 1033456122 /nfs/dbraw/zinc/45/61/22/1033456122.db2.gz XRMXQXCQDJSLNS-OAQYLSRUSA-N 2 0 364.449 2.895 20 5 FFBDRP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC[C@@]1(O)CC[NH2+]C1 ZINC001245971846 1039170221 /nfs/dbraw/zinc/17/02/21/1039170221.db2.gz KAMHPGXPFFQDKR-OAQYLSRUSA-N 2 0 350.466 2.899 20 5 FFBDRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246107349 1039245545 /nfs/dbraw/zinc/24/55/45/1039245545.db2.gz HPHVOHPVVBXQMW-CQSZACIVSA-N 2 0 355.438 2.970 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001247014135 1039581190 /nfs/dbraw/zinc/58/11/90/1039581190.db2.gz JDSWKEOCZCLOTO-QAPCUYQASA-N 2 0 374.485 2.646 20 5 FFBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC001352759986 1055772103 /nfs/dbraw/zinc/77/21/03/1055772103.db2.gz IDWDROPODDXYGD-ARFHVFGLSA-N 2 0 357.458 2.873 20 5 FFBDRP C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001473759281 1065348320 /nfs/dbraw/zinc/34/83/20/1065348320.db2.gz BYYKZBBRJWIYTB-HNNXBMFYSA-N 2 0 369.425 2.529 20 5 FFBDRP C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000279134984 256385499 /nfs/dbraw/zinc/38/54/99/256385499.db2.gz RHIIAZJICQPVQU-KXBFYZLASA-N 2 0 360.502 2.790 20 5 FFBDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000371294771 512312072 /nfs/dbraw/zinc/31/20/72/512312072.db2.gz MZJTZDINJUBACJ-COXVUDFISA-N 2 0 353.850 2.932 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000157400663 508562293 /nfs/dbraw/zinc/56/22/93/508562293.db2.gz GPWNKSIBRCIGQU-INIZCTEOSA-N 2 0 360.458 2.874 20 5 FFBDRP O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000248198583 509258971 /nfs/dbraw/zinc/25/89/71/509258971.db2.gz XWUABLDAYAZESK-RBUKOAKNSA-N 2 0 369.469 2.778 20 5 FFBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261634034 510007526 /nfs/dbraw/zinc/00/75/26/510007526.db2.gz FCILXLGQGXERAA-GMBSWORKSA-N 2 0 368.437 2.596 20 5 FFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246415063 510477502 /nfs/dbraw/zinc/47/75/02/510477502.db2.gz BKGBFXCQFXPPOC-GOEBONIOSA-N 2 0 351.447 2.644 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284238641 511653448 /nfs/dbraw/zinc/65/34/48/511653448.db2.gz UYOGFRHFKXDCNQ-CQSZACIVSA-N 2 0 358.442 2.968 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293054527 511822312 /nfs/dbraw/zinc/82/23/12/511822312.db2.gz UEVKTORKJLCGAL-IBGZPJMESA-N 2 0 360.458 2.650 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000274839745 511960041 /nfs/dbraw/zinc/96/00/41/511960041.db2.gz LTVBUGPOCDQLMQ-APWZRJJASA-N 2 0 365.474 2.700 20 5 FFBDRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435385714 513572600 /nfs/dbraw/zinc/57/26/00/513572600.db2.gz SVOSMIFXQFURAJ-QGTPRVQTSA-N 2 0 355.442 2.555 20 5 FFBDRP O=[N+]([O-])c1cccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423010737 514007136 /nfs/dbraw/zinc/00/71/36/514007136.db2.gz HKLJAKDUIYNKCY-AZUAARDMSA-N 2 0 353.422 2.983 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000449108424 514075610 /nfs/dbraw/zinc/07/56/10/514075610.db2.gz QPBQUUITQLMQGZ-INIZCTEOSA-N 2 0 360.502 2.674 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000449232998 514124630 /nfs/dbraw/zinc/12/46/30/514124630.db2.gz JXTUZQNEBJLXNN-UZLBHIALSA-N 2 0 369.465 2.882 20 5 FFBDRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417300245 514282885 /nfs/dbraw/zinc/28/28/85/514282885.db2.gz ACJRQTGEETXVIU-QFBILLFUSA-N 2 0 374.485 2.539 20 5 FFBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000490012925 515067592 /nfs/dbraw/zinc/06/75/92/515067592.db2.gz KFNRASDACANNFT-INIZCTEOSA-N 2 0 351.447 2.536 20 5 FFBDRP O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001145 517942948 /nfs/dbraw/zinc/94/29/48/517942948.db2.gz FWIMNNXQEPXXLY-CHWSQXEVSA-N 2 0 366.849 2.508 20 5 FFBDRP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195500 518947847 /nfs/dbraw/zinc/94/78/47/518947847.db2.gz APUHAJUTOSPKKB-WPGJWXSHSA-N 2 0 358.486 2.708 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000589505979 519020143 /nfs/dbraw/zinc/02/01/43/519020143.db2.gz SVUPVLKBWIWCPX-MAUKXSAKSA-N 2 0 373.453 2.830 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000595007481 520255174 /nfs/dbraw/zinc/25/51/74/520255174.db2.gz OEVJQLGTRDBTIL-QAPCUYQASA-N 2 0 364.490 2.526 20 5 FFBDRP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595066139 520276433 /nfs/dbraw/zinc/27/64/33/520276433.db2.gz CQKWALIWZIVBQI-FXAWDEMLSA-N 2 0 367.449 2.939 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505870 520516810 /nfs/dbraw/zinc/51/68/10/520516810.db2.gz ZQWBRMRLMOWWPA-IBGZPJMESA-N 2 0 360.458 2.650 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000611248099 521055820 /nfs/dbraw/zinc/05/58/20/521055820.db2.gz RYXVJDYXWIPFCG-OAHLLOKOSA-N 2 0 364.490 2.670 20 5 FFBDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])n1 ZINC000602669486 521470099 /nfs/dbraw/zinc/47/00/99/521470099.db2.gz JCEODHWEYXPAAX-UHFFFAOYSA-N 2 0 369.469 2.816 20 5 FFBDRP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000602798968 521540128 /nfs/dbraw/zinc/54/01/28/521540128.db2.gz PABZQZLOBVPSCC-UHFFFAOYSA-N 2 0 372.473 2.733 20 5 FFBDRP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846561 521567744 /nfs/dbraw/zinc/56/77/44/521567744.db2.gz RMLBVFUADSLNLU-HNNXBMFYSA-N 2 0 369.425 2.529 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000872021793 731721397 /nfs/dbraw/zinc/72/13/97/731721397.db2.gz QWNOCZPFGGQZAY-AWEZNQCLSA-N 2 0 366.531 2.993 20 5 FFBDRP C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877168438 1014496367 /nfs/dbraw/zinc/49/63/67/1014496367.db2.gz UJBNMZSALXHTEE-FLODPWGTSA-N 2 0 369.469 2.995 20 5 FFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526653 1014613849 /nfs/dbraw/zinc/61/38/49/1014613849.db2.gz UOLHPLHYOZJNSK-SFHVURJKSA-N 2 0 360.502 2.812 20 5 FFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669317 1014667955 /nfs/dbraw/zinc/66/79/55/1014667955.db2.gz DAKLAZVQLJOHFF-OGDZXRRGSA-N 2 0 360.502 2.669 20 5 FFBDRP c1cnc2c(c1)ccc1ccc(-c3noc(C[NH2+]CC4CC[NH2+]CC4)n3)nc12 ZINC001212320768 991669051 /nfs/dbraw/zinc/66/90/51/991669051.db2.gz ZPYHFWSSWJVZRR-UHFFFAOYSA-N 2 0 374.448 2.922 20 5 FFBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001169021549 1000017568 /nfs/dbraw/zinc/01/75/68/1000017568.db2.gz LJWAMRQGRKRDRJ-PKOBYXMFSA-N 2 0 358.486 2.815 20 5 FFBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000819206270 1008066320 /nfs/dbraw/zinc/06/63/20/1008066320.db2.gz SLBUAWXNXSLBHK-LJQANCHMSA-N 2 0 356.426 2.529 20 5 FFBDRP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001180310373 1009624780 /nfs/dbraw/zinc/62/47/80/1009624780.db2.gz FVBHCLZJDKFNGC-UHFFFAOYSA-N 2 0 363.458 2.727 20 5 FFBDRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001161245778 1028091788 /nfs/dbraw/zinc/09/17/88/1028091788.db2.gz GBSYMMNGETWSHU-UNMCSNQZSA-N 2 0 365.452 2.762 20 5 FFBDRP COc1cc(N2CCC([NH2+]CC[C@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001256087528 1038373601 /nfs/dbraw/zinc/37/36/01/1038373601.db2.gz DSOBNOHCFKHSPM-MRXNPFEDSA-N 2 0 362.474 2.646 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CC[NH2+]CC[C@H]2C)c1F ZINC001246115567 1039246509 /nfs/dbraw/zinc/24/65/09/1039246509.db2.gz ZZUDEFSJUKLXGR-HZSPNIEDSA-N 2 0 353.438 2.899 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@H]3CC[C@H](C)C[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC001246111248 1039246532 /nfs/dbraw/zinc/24/65/32/1039246532.db2.gz IPBGZKHFIYZNTA-GOEBONIOSA-N 2 0 362.474 2.550 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001247014130 1039581880 /nfs/dbraw/zinc/58/18/80/1039581880.db2.gz JDSWKEOCZCLOTO-CRAIPNDOSA-N 2 0 374.485 2.646 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001254560096 1040797920 /nfs/dbraw/zinc/79/79/20/1040797920.db2.gz PBJVKMDNROPFSI-KRWDZBQOSA-N 2 0 350.507 2.731 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 ZINC001308848011 1052507856 /nfs/dbraw/zinc/50/78/56/1052507856.db2.gz ILPOKTBMMBYFAO-AQNXPRMDSA-N 2 0 359.470 2.759 20 5 FFBDRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000106468531 250271479 /nfs/dbraw/zinc/27/14/79/250271479.db2.gz AAWWPDBYDJPVDQ-HUUCEWRRSA-N 2 0 351.447 2.582 20 5 FFBDRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090038818 507903454 /nfs/dbraw/zinc/90/34/54/507903454.db2.gz NJNPKBNXGPKTOR-HNNXBMFYSA-N 2 0 370.453 2.737 20 5 FFBDRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000158872197 508762742 /nfs/dbraw/zinc/76/27/42/508762742.db2.gz CIQYNACYRXVKCD-RTBURBONSA-N 2 0 361.486 2.598 20 5 FFBDRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000159172631 508803459 /nfs/dbraw/zinc/80/34/59/508803459.db2.gz JBWYUADEZRALJY-IBGZPJMESA-N 2 0 369.469 2.983 20 5 FFBDRP CN1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000283662566 511453206 /nfs/dbraw/zinc/45/32/06/511453206.db2.gz BZZAAGJLLMQGIK-PXNSSMCTSA-N 2 0 368.437 2.958 20 5 FFBDRP C[NH+]1CCC2(CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)CC1 ZINC000370012364 512727425 /nfs/dbraw/zinc/72/74/25/512727425.db2.gz WNRSPLSWACPZOP-UHFFFAOYSA-N 2 0 371.441 2.953 20 5 FFBDRP CN(C)c1ncc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1C ZINC000419731792 513900045 /nfs/dbraw/zinc/90/00/45/513900045.db2.gz RMBGDMBIJNFFPV-UHFFFAOYSA-N 2 0 357.336 2.703 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000449086717 514066592 /nfs/dbraw/zinc/06/65/92/514066592.db2.gz SMZLOPURXAQVNA-HNNXBMFYSA-N 2 0 355.442 2.785 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420337905 514099745 /nfs/dbraw/zinc/09/97/45/514099745.db2.gz KGIVPCZRRJQGCY-HZPDHXFCSA-N 2 0 360.458 2.553 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402922 514133242 /nfs/dbraw/zinc/13/32/42/514133242.db2.gz RAYBUSUTKZVNPG-QAPCUYQASA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402920 514133728 /nfs/dbraw/zinc/13/37/28/514133728.db2.gz RAYBUSUTKZVNPG-CRAIPNDOSA-N 2 0 360.458 2.696 20 5 FFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417319287 514294021 /nfs/dbraw/zinc/29/40/21/514294021.db2.gz HMDIQTIKAOSCNW-OXJNMPFZSA-N 2 0 360.502 2.978 20 5 FFBDRP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414871086 514333032 /nfs/dbraw/zinc/33/30/32/514333032.db2.gz CVHOXWYZKRACEX-CQSZACIVSA-N 2 0 359.426 2.867 20 5 FFBDRP Cn1ccnc1[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721780 515769133 /nfs/dbraw/zinc/76/91/33/515769133.db2.gz AWKLXBXGFCNSJU-QAPCUYQASA-N 2 0 357.458 2.739 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000540747237 516695144 /nfs/dbraw/zinc/69/51/44/516695144.db2.gz NCLFURBGNLQEHR-YJBOKZPZSA-N 2 0 364.490 2.646 20 5 FFBDRP O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001147 517942637 /nfs/dbraw/zinc/94/26/37/517942637.db2.gz FWIMNNXQEPXXLY-OLZOCXBDSA-N 2 0 366.849 2.508 20 5 FFBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000570389221 518580985 /nfs/dbraw/zinc/58/09/85/518580985.db2.gz WAKHMJPKIOGDTP-QUCCMNQESA-N 2 0 369.421 2.819 20 5 FFBDRP CC[N@@H+]1CCC[C@H]1CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000583527218 519294674 /nfs/dbraw/zinc/29/46/74/519294674.db2.gz RTIKRQIXQBCSFK-KWEPMOPPSA-N 2 0 360.502 2.956 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478716 520406978 /nfs/dbraw/zinc/40/69/78/520406978.db2.gz ITGSKIVCVWQHOH-CRAIPNDOSA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000602772433 521525997 /nfs/dbraw/zinc/52/59/97/521525997.db2.gz JFVNBTOYEPUJLT-UHFFFAOYSA-N 2 0 371.485 2.944 20 5 FFBDRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923501767 738292807 /nfs/dbraw/zinc/29/28/07/738292807.db2.gz VHNXNQQJDDPSSP-GHMZBOCLSA-N 2 0 359.373 2.622 20 5 FFBDRP CC1([NH+]2CCC2)CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000905603076 980469358 /nfs/dbraw/zinc/46/93/58/980469358.db2.gz XOGIVQLFVSEILS-UHFFFAOYSA-N 2 0 360.458 2.920 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+][C@@H](CO)C3CCC3)CC2)cc1 ZINC001206646968 1027787577 /nfs/dbraw/zinc/78/75/77/1027787577.db2.gz SVGIXYRQLJFAJU-FQEVSTJZSA-N 2 0 361.486 2.600 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+][C@H](CO)C3CCC3)CC2)cc1 ZINC001206646970 1027788265 /nfs/dbraw/zinc/78/82/65/1027788265.db2.gz SVGIXYRQLJFAJU-HXUWFJFHSA-N 2 0 361.486 2.600 20 5 FFBDRP COc1cc(N2CCC([N@H+](CCC[NH3+])C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256085399 1038371022 /nfs/dbraw/zinc/37/10/22/1038371022.db2.gz NMWJBBWLTJKUIR-UHFFFAOYSA-N 2 0 350.463 2.631 20 5 FFBDRP CCN1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H](C)C1 ZINC001462222966 1061542870 /nfs/dbraw/zinc/54/28/70/1061542870.db2.gz DIRYALPYFKGWKR-GOSISDBHSA-N 2 0 374.529 2.875 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]CC3(CO)CCC3)CC2)cc1 ZINC001474437112 1065522602 /nfs/dbraw/zinc/52/26/02/1065522602.db2.gz UFWJLJUJFAPJRA-UHFFFAOYSA-N 2 0 361.486 2.602 20 5 FFBDRP COc1cc(C[NH2+]CCCC[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272422678 252034549 /nfs/dbraw/zinc/03/45/49/252034549.db2.gz MBIUHGUDVOEGGU-UHFFFAOYSA-N 2 0 361.389 2.679 20 5 FFBDRP C[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290816850 257359262 /nfs/dbraw/zinc/35/92/62/257359262.db2.gz GPJHQJDUULQFRR-UHFFFAOYSA-N 2 0 361.273 2.629 20 5 FFBDRP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377617388 512356066 /nfs/dbraw/zinc/35/60/66/512356066.db2.gz APUHAJUTOSPKKB-WSSFADSRSA-N 2 0 358.486 2.708 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159165177 508801708 /nfs/dbraw/zinc/80/17/08/508801708.db2.gz WKSHBCDVIIPHOZ-INIZCTEOSA-N 2 0 369.469 2.901 20 5 FFBDRP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237769598 509732246 /nfs/dbraw/zinc/73/22/46/509732246.db2.gz NTUHYOSHKHKRAK-CQSZACIVSA-N 2 0 355.442 2.569 20 5 FFBDRP CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C1 ZINC000174773117 510304129 /nfs/dbraw/zinc/30/41/29/510304129.db2.gz RRAUKAZGKSQIFP-CJNGLKHVSA-N 2 0 359.430 2.807 20 5 FFBDRP C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1n1ccnc1 ZINC000246656342 510605139 /nfs/dbraw/zinc/60/51/39/510605139.db2.gz CUWYJEIZQZVJPM-CZUORRHYSA-N 2 0 368.397 2.924 20 5 FFBDRP COc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1OC ZINC000369703329 512563450 /nfs/dbraw/zinc/56/34/50/512563450.db2.gz MEZFJHAFKVHQAK-UHFFFAOYSA-N 2 0 363.458 2.920 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000449183336 514104583 /nfs/dbraw/zinc/10/45/83/514104583.db2.gz FQWYKWQCZFJELI-CDHQVMDDSA-N 2 0 361.486 2.883 20 5 FFBDRP Cn1ccnc1[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000423422506 514137496 /nfs/dbraw/zinc/13/74/96/514137496.db2.gz LGLWZWGTDAHOKZ-IIDMSEBBSA-N 2 0 357.458 2.772 20 5 FFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475564000 514716697 /nfs/dbraw/zinc/71/66/97/514716697.db2.gz RYBQTMQQJMXYSX-MXWWQKGMSA-N 2 0 360.458 2.918 20 5 FFBDRP O=[N+]([O-])c1cc(F)ccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498645320 515008345 /nfs/dbraw/zinc/00/83/45/515008345.db2.gz VUGDIMKVLPMERY-UHFFFAOYSA-N 2 0 359.405 2.753 20 5 FFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000468630009 515445344 /nfs/dbraw/zinc/44/53/44/515445344.db2.gz KHIIECLPBURTCQ-GHRIWEEISA-N 2 0 360.502 2.861 20 5 FFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000473518294 515643152 /nfs/dbraw/zinc/64/31/52/515643152.db2.gz CVJVWVNBWDCCEY-UHFFFAOYSA-N 2 0 359.474 2.853 20 5 FFBDRP Cc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000514213268 516905665 /nfs/dbraw/zinc/90/56/65/516905665.db2.gz FKGAIPBFMWPGDE-UHFFFAOYSA-N 2 0 355.442 2.922 20 5 FFBDRP O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522001150 517941737 /nfs/dbraw/zinc/94/17/37/517941737.db2.gz FWIMNNXQEPXXLY-STQMWFEESA-N 2 0 366.849 2.508 20 5 FFBDRP CN1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000571801508 519282484 /nfs/dbraw/zinc/28/24/84/519282484.db2.gz YESALXXQXSQFCH-MRXNPFEDSA-N 2 0 374.416 2.601 20 5 FFBDRP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000594503815 520006700 /nfs/dbraw/zinc/00/67/00/520006700.db2.gz BRODSGLIPRUWSX-PXNSSMCTSA-N 2 0 367.449 2.939 20 5 FFBDRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000592433818 520390261 /nfs/dbraw/zinc/39/02/61/520390261.db2.gz YBIYTEATLBCQHN-GJZGRUSLSA-N 2 0 363.458 2.824 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000592492563 520416188 /nfs/dbraw/zinc/41/61/88/520416188.db2.gz AOLFLJXJFGSSBK-CVEARBPZSA-N 2 0 371.441 2.856 20 5 FFBDRP C[C@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CCCCC1 ZINC000602607221 521435989 /nfs/dbraw/zinc/43/59/89/521435989.db2.gz JEDYKZHJQNHNAF-MRXNPFEDSA-N 2 0 361.490 2.813 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)cn1 ZINC000602637927 521451179 /nfs/dbraw/zinc/45/11/79/521451179.db2.gz KGINTXIYJUDARF-UHFFFAOYSA-N 2 0 359.474 2.565 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)cn1 ZINC000602716929 521493812 /nfs/dbraw/zinc/49/38/12/521493812.db2.gz VHZGBUOZWGPPGI-QGZVFWFLSA-N 2 0 373.501 2.670 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000872063839 731725488 /nfs/dbraw/zinc/72/54/88/731725488.db2.gz UEEQQZBHFAFHBF-CABCVRRESA-N 2 0 366.531 2.993 20 5 FFBDRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000922388933 738135218 /nfs/dbraw/zinc/13/52/18/738135218.db2.gz RZBIUCSXAJRUKU-ZJPYXAASSA-N 2 0 367.877 2.818 20 5 FFBDRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818339925 742265117 /nfs/dbraw/zinc/26/51/17/742265117.db2.gz GFBBXEAJEPIENJ-GFCCVEGCSA-N 2 0 366.849 2.651 20 5 FFBDRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1CC[NH3+] ZINC000846225412 748434222 /nfs/dbraw/zinc/43/42/22/748434222.db2.gz ASPDCUZDUIFHTI-WBMJQRKESA-N 2 0 352.410 2.512 20 5 FFBDRP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000873261707 1013450798 /nfs/dbraw/zinc/45/07/98/1013450798.db2.gz QTKUEGNXJSHTNW-DNMXQMFDSA-N 2 0 355.442 2.538 20 5 FFBDRP C[C@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@H+](C)Cc1ccccc1 ZINC000877079673 1014471077 /nfs/dbraw/zinc/47/10/77/1014471077.db2.gz ITHJLSISUDDYOG-FAEJEUNOSA-N 2 0 357.458 2.995 20 5 FFBDRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904411381 980270257 /nfs/dbraw/zinc/27/02/57/980270257.db2.gz UXAMTQGVUXTRKZ-VXGBXAGGSA-N 2 0 373.400 2.664 20 5 FFBDRP Cc1nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294535 985132720 /nfs/dbraw/zinc/13/27/20/985132720.db2.gz XHRHCXHTHDJAMR-MRXNPFEDSA-N 2 0 357.458 2.874 20 5 FFBDRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000922847978 988951675 /nfs/dbraw/zinc/95/16/75/988951675.db2.gz IXECTLBQDPTMRT-UHFFFAOYSA-N 2 0 361.442 2.863 20 5 FFBDRP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880258791 1015791770 /nfs/dbraw/zinc/79/17/70/1015791770.db2.gz CJZBVHCDOICJKG-HNNXBMFYSA-N 2 0 369.425 2.529 20 5 FFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947507 1007822603 /nfs/dbraw/zinc/82/26/03/1007822603.db2.gz OUHHERRPJWKDNJ-CQSZACIVSA-N 2 0 356.426 2.603 20 5 FFBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000819015666 1008023382 /nfs/dbraw/zinc/02/33/82/1008023382.db2.gz MZCXRZIISUKCMA-NQIIRXRSSA-N 2 0 369.465 2.782 20 5 FFBDRP CN(C)[C@@H]1CCC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001179869313 1009484946 /nfs/dbraw/zinc/48/49/46/1009484946.db2.gz RGLKPWLFJITEHE-OAQYLSRUSA-N 2 0 374.529 2.875 20 5 FFBDRP Cc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866213502 1010952804 /nfs/dbraw/zinc/95/28/04/1010952804.db2.gz WSIXTRQNSRXCDC-UHFFFAOYSA-N 2 0 369.469 2.668 20 5 FFBDRP CC[NH+](CC)CCN1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172908415 1012079369 /nfs/dbraw/zinc/07/93/69/1012079369.db2.gz MNGQIQFYLVHRKF-FQEVSTJZSA-N 2 0 374.529 2.802 20 5 FFBDRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173011154 1012181428 /nfs/dbraw/zinc/18/14/28/1012181428.db2.gz RNNFSJQURIHOGC-CYBMUJFWSA-N 2 0 368.428 2.773 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1F ZINC001173179737 1012320815 /nfs/dbraw/zinc/32/08/15/1012320815.db2.gz PKGOYWGQDOFAQC-UONOGXRCSA-N 2 0 353.438 2.995 20 5 FFBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001173224080 1012356879 /nfs/dbraw/zinc/35/68/79/1012356879.db2.gz LLEOWPIEDMYYBC-MRXNPFEDSA-N 2 0 354.454 2.957 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903091571 1020672252 /nfs/dbraw/zinc/67/22/52/1020672252.db2.gz WOSFDKPTXAEKAX-HOTGVXAUSA-N 2 0 364.490 2.528 20 5 FFBDRP C[NH+](C)CCCC1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000160025260 1022876052 /nfs/dbraw/zinc/87/60/52/1022876052.db2.gz YQLXUKFKQCRTKK-UHFFFAOYSA-N 2 0 372.473 2.865 20 5 FFBDRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001161245775 1028090838 /nfs/dbraw/zinc/09/08/38/1028090838.db2.gz GBSYMMNGETWSHU-RBBKRZOGSA-N 2 0 365.452 2.762 20 5 FFBDRP [NH3+]CCCC[NH2+]CCCNc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001162291280 1028493207 /nfs/dbraw/zinc/49/32/07/1028493207.db2.gz BJBOYHRUIOLZSL-UHFFFAOYSA-N 2 0 351.838 2.927 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1NCc1cccnc1C1CC[NH2+]CC1)C[NH2+]C2 ZINC001163911428 1029113144 /nfs/dbraw/zinc/11/31/44/1029113144.db2.gz DRKNMWDOVRMDAK-UHFFFAOYSA-N 2 0 353.426 2.672 20 5 FFBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232220661 1035503512 /nfs/dbraw/zinc/50/35/12/1035503512.db2.gz BCFYGICGLLSIEQ-UHFFFAOYSA-N 2 0 351.498 2.708 20 5 FFBDRP C[C@@H]1CC[C@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[NH2+]1 ZINC001246098879 1039244477 /nfs/dbraw/zinc/24/44/77/1039244477.db2.gz QCIDIIIZEWBQAX-OLZOCXBDSA-N 2 0 368.428 2.820 20 5 FFBDRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246101509 1039244676 /nfs/dbraw/zinc/24/46/76/1039244676.db2.gz QLGIUARELODMHK-QWHCGFSZSA-N 2 0 368.428 2.677 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@H]3CCC[NH2+][C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001246107691 1039246000 /nfs/dbraw/zinc/24/60/00/1039246000.db2.gz GQEOLUWCHZIXPY-HUUCEWRRSA-N 2 0 362.474 2.550 20 5 FFBDRP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246115644 1039246836 /nfs/dbraw/zinc/24/68/36/1039246836.db2.gz ZNEZJIXQJOJVDD-CHWSQXEVSA-N 2 0 368.428 2.820 20 5 FFBDRP COc1ccc(C(=O)Nc2c[nH+]ccc2-n2ccnc2C)cc1[N+](=O)[O-] ZINC001251846366 1039321923 /nfs/dbraw/zinc/32/19/23/1039321923.db2.gz CGQAWLFQQDGNKB-UHFFFAOYSA-N 2 0 353.338 2.745 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001254542887 1040789491 /nfs/dbraw/zinc/78/94/91/1040789491.db2.gz PPUVAKFHEKBVCW-CJNGLKHVSA-N 2 0 366.462 2.705 20 5 FFBDRP CCn1nccc1C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308870822 1052509950 /nfs/dbraw/zinc/50/99/50/1052509950.db2.gz NQLAHBPNVNTVRT-UHFFFAOYSA-N 2 0 371.485 2.856 20 5 FFBDRP CC1([NH+]2CCOCC2)CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001474479895 1065532972 /nfs/dbraw/zinc/53/29/72/1065532972.db2.gz TUFVFMMRINSVEB-UHFFFAOYSA-N 2 0 373.457 2.594 20 5 FFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278503131 256319669 /nfs/dbraw/zinc/31/96/69/256319669.db2.gz QRKIAPZCZJBRBO-AWEZNQCLSA-N 2 0 360.458 2.776 20 5 FFBDRP COc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290486794 257334726 /nfs/dbraw/zinc/33/47/26/257334726.db2.gz OIVXLQYONLKKFZ-HNNXBMFYSA-N 2 0 363.458 2.776 20 5 FFBDRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000072718493 507846689 /nfs/dbraw/zinc/84/66/89/507846689.db2.gz NZYHBHOXTFNXSC-MRXNPFEDSA-N 2 0 360.458 2.731 20 5 FFBDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081568917 508191152 /nfs/dbraw/zinc/19/11/52/508191152.db2.gz XBIDZCGFFFSKCX-INIZCTEOSA-N 2 0 362.474 2.896 20 5 FFBDRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000237561744 509677333 /nfs/dbraw/zinc/67/73/33/509677333.db2.gz ZQZITQXIWIDAEI-OAHLLOKOSA-N 2 0 357.458 2.817 20 5 FFBDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174843170 510339505 /nfs/dbraw/zinc/33/95/05/510339505.db2.gz PMWOSDZSIDHMMP-UHFFFAOYSA-N 2 0 357.458 2.635 20 5 FFBDRP O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397500687 512946304 /nfs/dbraw/zinc/94/63/04/512946304.db2.gz XGJJYIKOGKRMDR-UHFFFAOYSA-N 2 0 355.438 2.712 20 5 FFBDRP O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000370652900 513034752 /nfs/dbraw/zinc/03/47/52/513034752.db2.gz WABXEBAZUWGXGK-UHFFFAOYSA-N 2 0 369.469 2.779 20 5 FFBDRP O=[N+]([O-])c1cccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423176035 514070301 /nfs/dbraw/zinc/07/03/01/514070301.db2.gz BOWVHVURZAMSKT-HXUWFJFHSA-N 2 0 354.454 2.569 20 5 FFBDRP O=[N+]([O-])c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000415052887 514416914 /nfs/dbraw/zinc/41/69/14/514416914.db2.gz LWKTVPHHNSQTPP-UHFFFAOYSA-N 2 0 352.866 2.554 20 5 FFBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169869 516158195 /nfs/dbraw/zinc/15/81/95/516158195.db2.gz LFPLDUYDOIDYMO-MBGNVJMVSA-N 2 0 358.486 2.710 20 5 FFBDRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000521370497 517709033 /nfs/dbraw/zinc/70/90/33/517709033.db2.gz VVSPKIUYPMQHRK-QGZVFWFLSA-N 2 0 356.426 2.707 20 5 FFBDRP C[NH+](C)CCOc1cnccc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000584195033 518222844 /nfs/dbraw/zinc/22/28/44/518222844.db2.gz KDFZBJVFLUSXHV-ALCCZGGFSA-N 2 0 356.426 2.733 20 5 FFBDRP C[NH+](C)Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000569803329 518299974 /nfs/dbraw/zinc/29/99/74/518299974.db2.gz NVFFAIZQGHZOCU-UHFFFAOYSA-N 2 0 374.416 2.914 20 5 FFBDRP Cn1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567871144 518759356 /nfs/dbraw/zinc/75/93/56/518759356.db2.gz SGMWAUNCRYUUGQ-QGZVFWFLSA-N 2 0 369.469 2.817 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000568512349 519076469 /nfs/dbraw/zinc/07/64/69/519076469.db2.gz NVKYPJBWSXIJCP-MRXNPFEDSA-N 2 0 360.458 2.553 20 5 FFBDRP CSC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[NH+](C)CC1 ZINC000571693985 519223884 /nfs/dbraw/zinc/22/38/84/519223884.db2.gz FGPYYLGKZRYZPJ-HUUCEWRRSA-N 2 0 367.519 2.692 20 5 FFBDRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566229733 519382170 /nfs/dbraw/zinc/38/21/70/519382170.db2.gz MLIHAHPWISUXSB-IRXDYDNUSA-N 2 0 369.469 2.817 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000592492566 520416551 /nfs/dbraw/zinc/41/65/51/520416551.db2.gz AOLFLJXJFGSSBK-JKSUJKDBSA-N 2 0 371.441 2.856 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593316805 520905297 /nfs/dbraw/zinc/90/52/97/520905297.db2.gz XSTOSIDBOQRWFF-ZSZQSSIHSA-N 2 0 363.458 2.712 20 5 FFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000596097512 520909562 /nfs/dbraw/zinc/90/95/62/520909562.db2.gz YKBCKTIXDPLJFW-RCCFBDPRSA-N 2 0 361.490 2.987 20 5 FFBDRP C[NH+]1CCC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)(N2CCCCC2)CC1 ZINC000602556345 521410165 /nfs/dbraw/zinc/41/01/65/521410165.db2.gz CZLJQADSGSNYTO-UHFFFAOYSA-N 2 0 360.502 2.677 20 5 FFBDRP C[C@@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CCCCC1 ZINC000602607220 521435714 /nfs/dbraw/zinc/43/57/14/521435714.db2.gz JEDYKZHJQNHNAF-INIZCTEOSA-N 2 0 361.490 2.813 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000872033405 731722514 /nfs/dbraw/zinc/72/25/14/731722514.db2.gz GRCLEUJSUHOTJM-KBPBESRZSA-N 2 0 352.504 2.603 20 5 FFBDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886097723 733748448 /nfs/dbraw/zinc/74/84/48/733748448.db2.gz CUYICCWCETWWCA-UHFFFAOYSA-N 2 0 350.463 2.560 20 5 FFBDRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000922394544 738136993 /nfs/dbraw/zinc/13/69/93/738136993.db2.gz XBJASLBKKKGERX-TXCZRRACSA-N 2 0 353.488 2.616 20 5 FFBDRP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000873262395 1013450194 /nfs/dbraw/zinc/45/01/94/1013450194.db2.gz YNAJRNFCDQQYDT-DNMXQMFDSA-N 2 0 355.442 2.538 20 5 FFBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000876988550 1014441763 /nfs/dbraw/zinc/44/17/63/1014441763.db2.gz GFEZVDCPZVIGJX-VIQWUECVSA-N 2 0 369.469 2.997 20 5 FFBDRP C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877168440 1014497258 /nfs/dbraw/zinc/49/72/58/1014497258.db2.gz UJBNMZSALXHTEE-XMZVIZOASA-N 2 0 369.469 2.995 20 5 FFBDRP CC(C)c1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000877667960 1014668129 /nfs/dbraw/zinc/66/81/29/1014668129.db2.gz DKOMMMGPUDBIQM-QZTJIDSGSA-N 2 0 362.518 2.889 20 5 FFBDRP [NH3+]CCC[C@@H]([NH3+])Nc1nnc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001170898192 1007896621 /nfs/dbraw/zinc/89/66/21/1007896621.db2.gz BXVMUSGTUJTFPT-ZDUSSCGKSA-N 2 0 370.335 2.506 20 5 FFBDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001177257213 1008542166 /nfs/dbraw/zinc/54/21/66/1008542166.db2.gz RFYIZVJMEMOLGP-MRXNPFEDSA-N 2 0 372.469 2.970 20 5 FFBDRP [NH3+]CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CCCC1 ZINC000843384991 1031366305 /nfs/dbraw/zinc/36/63/05/1031366305.db2.gz NBKSVAINCINSQH-UHFFFAOYSA-N 2 0 366.437 2.904 20 5 FFBDRP C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H]1CCC[NH3+] ZINC001579420833 1078627274 /nfs/dbraw/zinc/62/72/74/1078627274.db2.gz HTSVUWBRHYTQDJ-GDBMZVCRSA-N 2 0 371.441 2.760 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001560966946 1076314784 /nfs/dbraw/zinc/31/47/84/1076314784.db2.gz QRSRQYBFUSTTLW-BGYRXZFFSA-N 2 0 359.470 2.713 20 5 FFBDRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173377975 509562149 /nfs/dbraw/zinc/56/21/49/509562149.db2.gz GOVCWHQQABPWKV-HNNXBMFYSA-N 2 0 370.453 2.737 20 5 FFBDRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000184622141 510422342 /nfs/dbraw/zinc/42/23/42/510422342.db2.gz OEHKPWIMDFYBGN-BEFAXECRSA-N 2 0 370.453 2.665 20 5 FFBDRP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292212273 511508432 /nfs/dbraw/zinc/50/84/32/511508432.db2.gz UESHDRGNVAKQTG-SCLBCKFNSA-N 2 0 357.414 2.733 20 5 FFBDRP Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363663801 511692232 /nfs/dbraw/zinc/69/22/32/511692232.db2.gz GKVXXWNHLGDLEH-INIZCTEOSA-N 2 0 356.426 2.539 20 5 FFBDRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293785051 512083464 /nfs/dbraw/zinc/08/34/64/512083464.db2.gz QIUKUOPGVXAGGF-AWEZNQCLSA-N 2 0 358.442 2.968 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000430224473 513591667 /nfs/dbraw/zinc/59/16/67/513591667.db2.gz KDLCMKFWQCZJNT-UHFFFAOYSA-N 2 0 363.458 2.538 20 5 FFBDRP CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420318869 514090127 /nfs/dbraw/zinc/09/01/27/514090127.db2.gz PBWIEGDTDVVVDD-PMACEKPBSA-N 2 0 357.454 2.736 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420387047 514121966 /nfs/dbraw/zinc/12/19/66/514121966.db2.gz GGCRIUDADJZYCU-YJBOKZPZSA-N 2 0 360.458 2.696 20 5 FFBDRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414977992 514385089 /nfs/dbraw/zinc/38/50/89/514385089.db2.gz RWFNPGIGFPKMQE-SJLPKXTDSA-N 2 0 361.486 2.912 20 5 FFBDRP C[C@@H]1CC2(C[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424388022 514469615 /nfs/dbraw/zinc/46/96/15/514469615.db2.gz YXVKFBOVGSLFEY-OAHLLOKOSA-N 2 0 369.469 2.959 20 5 FFBDRP CC[NH+]1CCN([C@H]2CC[N@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169871 516157834 /nfs/dbraw/zinc/15/78/34/516157834.db2.gz LFPLDUYDOIDYMO-QUHSPFQSSA-N 2 0 358.486 2.710 20 5 FFBDRP CC[N@@H+]1CCC[C@H]1CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000583527220 519293870 /nfs/dbraw/zinc/29/38/70/519293870.db2.gz RTIKRQIXQBCSFK-VQFGERMISA-N 2 0 360.502 2.956 20 5 FFBDRP COc1cc(C[N@H+](C)CCC[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000569118611 519388777 /nfs/dbraw/zinc/38/87/77/519388777.db2.gz BNWHJGLBJJKMEI-UHFFFAOYSA-N 2 0 359.426 2.963 20 5 FFBDRP Cc1c(NC(=O)CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000602878106 519943274 /nfs/dbraw/zinc/94/32/74/519943274.db2.gz VFVGGUTZILGFOY-UHFFFAOYSA-N 2 0 360.458 2.650 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000595012090 520254621 /nfs/dbraw/zinc/25/46/21/520254621.db2.gz NLMVSXAVYVTPAL-HNNXBMFYSA-N 2 0 364.490 2.528 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000592492984 520416524 /nfs/dbraw/zinc/41/65/24/520416524.db2.gz LAFKKPKJURYOSQ-HOTGVXAUSA-N 2 0 371.441 2.856 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600729384 520427953 /nfs/dbraw/zinc/42/79/53/520427953.db2.gz YLLWWWFHWFOAGT-GXTWGEPZSA-N 2 0 361.364 2.953 20 5 FFBDRP [NH3+]CCCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000600777446 520462353 /nfs/dbraw/zinc/46/23/53/520462353.db2.gz UFHDZJPKRWYPHW-UHFFFAOYSA-N 2 0 353.806 2.963 20 5 FFBDRP C[NH+](C)CCOc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601149159 520660438 /nfs/dbraw/zinc/66/04/38/520660438.db2.gz KAFYMHBDZRYOMJ-HXUWFJFHSA-N 2 0 373.453 2.533 20 5 FFBDRP O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000595893886 520800527 /nfs/dbraw/zinc/80/05/27/520800527.db2.gz ZECJMHWATUVYHG-UHFFFAOYSA-N 2 0 352.438 2.563 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595901218 520807972 /nfs/dbraw/zinc/80/79/72/520807972.db2.gz SFMQRPPCHFQPOY-MRXNPFEDSA-N 2 0 360.458 2.635 20 5 FFBDRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000596651247 521190033 /nfs/dbraw/zinc/19/00/33/521190033.db2.gz DAKMIYBOVOSXHH-OAHLLOKOSA-N 2 0 362.474 2.544 20 5 FFBDRP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000602514749 521389873 /nfs/dbraw/zinc/38/98/73/521389873.db2.gz QGFLBPWPRHJEIB-UHFFFAOYSA-N 2 0 361.364 2.816 20 5 FFBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763305 738528647 /nfs/dbraw/zinc/52/86/47/738528647.db2.gz RVJZIQAYCYQQRU-NWSOVMFYSA-N 2 0 354.248 2.963 20 5 FFBDRP C[NH+](C)CCOc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001168600730 985763194 /nfs/dbraw/zinc/76/31/94/985763194.db2.gz BTUFZFIPWRUOGU-HOTGVXAUSA-N 2 0 350.463 2.820 20 5 FFBDRP CCn1cc(C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001181598723 1010164041 /nfs/dbraw/zinc/16/40/41/1010164041.db2.gz GGLUADIRYIFSCO-UHFFFAOYSA-N 2 0 371.485 2.856 20 5 FFBDRP CCC[N@H+](CCC[NH3+])C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011337 1012181815 /nfs/dbraw/zinc/18/18/15/1012181815.db2.gz AYGPZLVDCUXSND-UHFFFAOYSA-N 2 0 356.417 2.903 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1F ZINC001173189649 1012331587 /nfs/dbraw/zinc/33/15/87/1012331587.db2.gz LLPCHNBNMDIWJU-CYBMUJFWSA-N 2 0 353.438 2.947 20 5 FFBDRP CC1(C)C[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2cc([N+](=O)[O-])ccc21 ZINC000925848467 1017872198 /nfs/dbraw/zinc/87/21/98/1017872198.db2.gz BCNURZBUILWHKW-YOEHRIQHSA-N 2 0 373.453 2.592 20 5 FFBDRP O=C1NCC[C@@]12C[N@H+](Cc1c3ccccc3cc3ccccc31)CC21C[NH2+]C1 ZINC001222521290 1033026588 /nfs/dbraw/zinc/02/65/88/1033026588.db2.gz PEKWQXHQCGIFDQ-XMMPIXPASA-N 2 0 371.484 2.905 20 5 FFBDRP CN(C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220424 1028073668 /nfs/dbraw/zinc/07/36/68/1028073668.db2.gz BYRRGYNBNLTSGA-LNRXMEIDSA-N 2 0 359.473 2.539 20 5 FFBDRP [NH3+][C@H]1CCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001246538420 1039387556 /nfs/dbraw/zinc/38/75/56/1039387556.db2.gz BWBZMDCHOCKOKY-LBPRGKRZSA-N 2 0 354.401 2.655 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](Cc3cccnc3)CC1)C2 ZINC001254584723 1040816304 /nfs/dbraw/zinc/81/63/04/1040816304.db2.gz JCDFATBALMLVOZ-HXUWFJFHSA-N 2 0 366.465 2.959 20 5 FFBDRP C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001308039588 1052389636 /nfs/dbraw/zinc/38/96/36/1052389636.db2.gz GYAIJBWHDJGRQC-MRXNPFEDSA-N 2 0 356.426 2.969 20 5 FFBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001308742451 1052493565 /nfs/dbraw/zinc/49/35/65/1052493565.db2.gz FOJVNWBUCYOTFL-UHFFFAOYSA-N 2 0 362.396 2.539 20 5 FFBDRP CO[C@H](C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001308788208 1052499991 /nfs/dbraw/zinc/49/99/91/1052499991.db2.gz VGYZRTJGUMUSQO-HXUWFJFHSA-N 2 0 361.486 2.864 20 5 FFBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC001335253208 1053270271 /nfs/dbraw/zinc/27/02/71/1053270271.db2.gz MAAXDKXLJBISMZ-XHSDSOJGSA-N 2 0 357.458 2.873 20 5 FFBDRP Cc1ncc(C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001462332065 1061584418 /nfs/dbraw/zinc/58/44/18/1061584418.db2.gz GRTKNQBHSZMFOB-UHFFFAOYSA-N 2 0 358.442 2.936 20 5 FFBDRP CCN1CC[C@H]1C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462530817 1061661080 /nfs/dbraw/zinc/66/10/80/1061661080.db2.gz LMSNBPINNKIEKU-FQEVSTJZSA-N 2 0 360.502 2.533 20 5 FFBDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279054463 256376891 /nfs/dbraw/zinc/37/68/91/256376891.db2.gz KJJHWOHEKIBCMY-LJQANCHMSA-N 2 0 360.502 2.933 20 5 FFBDRP Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302512897 258104733 /nfs/dbraw/zinc/10/47/33/258104733.db2.gz TZMZQNRNCAMXAU-AWEZNQCLSA-N 2 0 358.442 2.733 20 5 FFBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000371294774 512312189 /nfs/dbraw/zinc/31/21/89/512312189.db2.gz MZJTZDINJUBACJ-XYPHTWIQSA-N 2 0 353.850 2.932 20 5 FFBDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000077450005 508317410 /nfs/dbraw/zinc/31/74/10/508317410.db2.gz ZFAUXVRYPQQOCO-UHFFFAOYSA-N 2 0 361.467 2.870 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000152908771 508530351 /nfs/dbraw/zinc/53/03/51/508530351.db2.gz WAMAQRXXSDLIOY-HZPDHXFCSA-N 2 0 364.490 2.670 20 5 FFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245436443 509934179 /nfs/dbraw/zinc/93/41/79/509934179.db2.gz QZEDUSYWWSDMSM-MAUKXSAKSA-N 2 0 362.474 2.894 20 5 FFBDRP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](Cc2nccn2C)C1 ZINC000247121262 510840111 /nfs/dbraw/zinc/84/01/11/510840111.db2.gz MQOHHRHEPCOFNP-GJZGRUSLSA-N 2 0 371.441 2.610 20 5 FFBDRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000411472013 512652472 /nfs/dbraw/zinc/65/24/72/512652472.db2.gz GTNJUAAXMZTSIE-SFHVURJKSA-N 2 0 362.474 2.625 20 5 FFBDRP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423426007 514139392 /nfs/dbraw/zinc/13/93/92/514139392.db2.gz OSBFRNIOAKUNNA-MPGHIAIKSA-N 2 0 357.458 2.772 20 5 FFBDRP CCC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423449221 514145120 /nfs/dbraw/zinc/14/51/20/514145120.db2.gz FZWBCCSAYLJHND-NSHGMRRFSA-N 2 0 374.485 2.672 20 5 FFBDRP CC(C)c1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000414986642 514387763 /nfs/dbraw/zinc/38/77/63/514387763.db2.gz NWRHHNIQYOMOMO-MRXNPFEDSA-N 2 0 374.407 2.644 20 5 FFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000468740936 515497666 /nfs/dbraw/zinc/49/76/66/515497666.db2.gz VERKGYDSJZPMPG-KFZAOVKASA-N 2 0 359.470 2.966 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000589505983 519020294 /nfs/dbraw/zinc/02/02/94/519020294.db2.gz SVUPVLKBWIWCPX-QAPCUYQASA-N 2 0 373.453 2.830 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479449 520407001 /nfs/dbraw/zinc/40/70/01/520407001.db2.gz ZQFOKSJASCDSOH-NVXWUHKLSA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492894 520415905 /nfs/dbraw/zinc/41/59/05/520415905.db2.gz GSGLSVLTSAUBAH-DLBZAZTESA-N 2 0 374.485 2.943 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592493966 520416995 /nfs/dbraw/zinc/41/69/95/520416995.db2.gz XYYBOBQYTZPRSZ-YESZJQIVSA-N 2 0 374.485 2.942 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000872032839 731722589 /nfs/dbraw/zinc/72/25/89/731722589.db2.gz AZDLHWOFQCPHBF-OAHLLOKOSA-N 2 0 366.531 2.995 20 5 FFBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000844903120 748132502 /nfs/dbraw/zinc/13/25/02/748132502.db2.gz SRMUBSFWYXBIAS-JJRVBVJISA-N 2 0 353.850 2.967 20 5 FFBDRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000922390385 988545432 /nfs/dbraw/zinc/54/54/32/988545432.db2.gz ZDTFRCAAAHSGFQ-GSGUODFMSA-N 2 0 359.470 2.677 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507407 1015943632 /nfs/dbraw/zinc/94/36/32/1015943632.db2.gz YKMLJTATZSLLNT-LZQZEXGQSA-N 2 0 358.486 2.865 20 5 FFBDRP C[C@@H](O)C[N@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001206489656 1032310180 /nfs/dbraw/zinc/31/01/80/1032310180.db2.gz FEYXJGFKQAVMJB-MRXNPFEDSA-N 2 0 361.486 2.695 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870393 1008907109 /nfs/dbraw/zinc/90/71/09/1008907109.db2.gz XIAZBVKOCGRPJM-LJQANCHMSA-N 2 0 360.458 2.697 20 5 FFBDRP CC1(C)[C@H](O)CC[N@@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001182009015 1010358606 /nfs/dbraw/zinc/35/86/06/1010358606.db2.gz XRIOVZFGOVULAP-LJQANCHMSA-N 2 0 361.486 2.695 20 5 FFBDRP CC1([NH3+])CC[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173008997 1012176266 /nfs/dbraw/zinc/17/62/66/1012176266.db2.gz JUWVMGWACOBVAF-UHFFFAOYSA-N 2 0 354.401 2.655 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1F ZINC001173175266 1012319782 /nfs/dbraw/zinc/31/97/82/1012319782.db2.gz MJSOQMNBOOCCGC-ZDUSSCGKSA-N 2 0 353.438 2.995 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1F ZINC001173189652 1012331004 /nfs/dbraw/zinc/33/10/04/1012331004.db2.gz LLPCHNBNMDIWJU-ZDUSSCGKSA-N 2 0 353.438 2.947 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903091570 1020672388 /nfs/dbraw/zinc/67/23/88/1020672388.db2.gz WOSFDKPTXAEKAX-CVEARBPZSA-N 2 0 364.490 2.528 20 5 FFBDRP Cc1cc(Cl)c([N+](=O)[O-])c(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)n1 ZINC001158574720 1027062918 /nfs/dbraw/zinc/06/29/18/1027062918.db2.gz DARVAGPSLSRAGJ-UHFFFAOYSA-N 2 0 367.881 2.604 20 5 FFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782509781 1029725806 /nfs/dbraw/zinc/72/58/06/1029725806.db2.gz QVRDQORDRXMNDS-KBPBESRZSA-N 2 0 366.437 2.867 20 5 FFBDRP COc1cc(N2CCC([NH+]3CCC4(C[NH+](C)C4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256101401 1038386161 /nfs/dbraw/zinc/38/61/61/1038386161.db2.gz IHBIHBLVXOURKP-UHFFFAOYSA-N 2 0 374.485 2.600 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3C[C@H]4CCCN(C)[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256101344 1038386542 /nfs/dbraw/zinc/38/65/42/1038386542.db2.gz FMPGJPWTXYBQDE-DNVCBOLYSA-N 2 0 374.485 2.598 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@H]3CC[C@@H](C)[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001246089727 1039241457 /nfs/dbraw/zinc/24/14/57/1039241457.db2.gz DIVWEWKGTGZEFU-CABCVRRESA-N 2 0 362.474 2.550 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001246558630 1039396366 /nfs/dbraw/zinc/39/63/66/1039396366.db2.gz NNNRYOPMYMLWTA-SJCJKPOMSA-N 2 0 357.401 2.826 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001246940613 1039540565 /nfs/dbraw/zinc/54/05/65/1039540565.db2.gz JGMKRZOSZOGYTL-MELADBBJSA-N 2 0 351.422 2.605 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC001254586937 1040818209 /nfs/dbraw/zinc/81/82/09/1040818209.db2.gz UBDPKRDZAPMEOX-FQEVSTJZSA-N 2 0 366.465 2.959 20 5 FFBDRP C[N@H+](C[C@H](O)C1CC1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308745217 1052493507 /nfs/dbraw/zinc/49/35/07/1052493507.db2.gz SGLZRNLSMWIORF-FQEVSTJZSA-N 2 0 361.486 2.552 20 5 FFBDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000849109358 1056765321 /nfs/dbraw/zinc/76/53/21/1056765321.db2.gz KTHJIXKBLQEYIB-ZDUSSCGKSA-N 2 0 373.379 2.712 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+][C@H](CO)CC3CC3)CC2)cc1 ZINC001462174264 1061530125 /nfs/dbraw/zinc/53/01/25/1061530125.db2.gz CMABGCSTYBUMHQ-IBGZPJMESA-N 2 0 361.486 2.600 20 5 FFBDRP CC[C@H]1CN(C)CC[N@@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462267742 1061562110 /nfs/dbraw/zinc/56/21/10/1061562110.db2.gz DAJPUKALNLNFAD-FQEVSTJZSA-N 2 0 374.529 2.875 20 5 FFBDRP O=[N+]([O-])c1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1Br ZINC001580875743 1078881631 /nfs/dbraw/zinc/88/16/31/1078881631.db2.gz PPIGJLHMCYKPKU-UHFFFAOYSA-N 2 0 354.248 2.933 20 5 FFBDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279071621 256378497 /nfs/dbraw/zinc/37/84/97/256378497.db2.gz LUOUIDOJMWBIBO-IBGZPJMESA-N 2 0 360.502 2.934 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631988 508199586 /nfs/dbraw/zinc/19/95/86/508199586.db2.gz PJMRTFCQDHBBQA-KRWDZBQOSA-N 2 0 374.485 2.896 20 5 FFBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185879957 509403115 /nfs/dbraw/zinc/40/31/15/509403115.db2.gz QKTJFRLFXVORCM-INIZCTEOSA-N 2 0 372.469 2.970 20 5 FFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000248635393 509403794 /nfs/dbraw/zinc/40/37/94/509403794.db2.gz KHGUZKPBQCCCEC-HBFSDRIKSA-N 2 0 374.529 2.922 20 5 FFBDRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236807588 509507030 /nfs/dbraw/zinc/50/70/30/509507030.db2.gz CYFKHYCLJLOUJM-HNNXBMFYSA-N 2 0 357.458 2.817 20 5 FFBDRP Cn1ccnc1[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421367507 513237911 /nfs/dbraw/zinc/23/79/11/513237911.db2.gz DXWQLNRCLLABAJ-HTWSVDAQSA-N 2 0 357.458 2.880 20 5 FFBDRP CC[NH2+]CC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435377585 513568685 /nfs/dbraw/zinc/56/86/85/513568685.db2.gz DCXXCQRGOIPJSU-UHFFFAOYSA-N 2 0 357.458 2.817 20 5 FFBDRP C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1 ZINC000432138359 514104758 /nfs/dbraw/zinc/10/47/58/514104758.db2.gz LBZFVSZTYOSWPT-OAHLLOKOSA-N 2 0 369.469 2.748 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000449225657 514121533 /nfs/dbraw/zinc/12/15/33/514121533.db2.gz USKYRAQTTAKKPX-HNNXBMFYSA-N 2 0 358.442 2.651 20 5 FFBDRP COCC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]CC1 ZINC000414977970 514384203 /nfs/dbraw/zinc/38/42/03/514384203.db2.gz RQBAOPFHVDLLFI-UHFFFAOYSA-N 2 0 359.426 2.961 20 5 FFBDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000467840733 515143151 /nfs/dbraw/zinc/14/31/51/515143151.db2.gz WOLKFYHFNDLPMO-MRXNPFEDSA-N 2 0 369.469 2.983 20 5 FFBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000504896548 515404733 /nfs/dbraw/zinc/40/47/33/515404733.db2.gz YMRWMTRLLPOJOR-HUUCEWRRSA-N 2 0 353.488 2.512 20 5 FFBDRP COc1cc(CN(C)CCC[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000566225817 519379579 /nfs/dbraw/zinc/37/95/79/519379579.db2.gz OLYGPMNFQBHAFE-UHFFFAOYSA-N 2 0 359.426 2.963 20 5 FFBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347903 519603297 /nfs/dbraw/zinc/60/32/97/519603297.db2.gz WYOJGXCJTLWMIC-LJQANCHMSA-N 2 0 360.502 2.978 20 5 FFBDRP C[NH+]1CCC2(CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CC1 ZINC000602876614 519942332 /nfs/dbraw/zinc/94/23/32/519942332.db2.gz HHXQICZXFPOYIN-UHFFFAOYSA-N 2 0 357.414 2.563 20 5 FFBDRP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595066142 520276126 /nfs/dbraw/zinc/27/61/26/520276126.db2.gz CQKWALIWZIVBQI-YLJYHZDGSA-N 2 0 367.449 2.939 20 5 FFBDRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000592433819 520390341 /nfs/dbraw/zinc/39/03/41/520390341.db2.gz YBIYTEATLBCQHN-HUUCEWRRSA-N 2 0 363.458 2.824 20 5 FFBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493519 520416803 /nfs/dbraw/zinc/41/68/03/520416803.db2.gz UBORCMQXIKAKSB-CVEARBPZSA-N 2 0 360.458 2.553 20 5 FFBDRP CC[NH+](CC)CCCC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602801528 521540062 /nfs/dbraw/zinc/54/00/62/521540062.db2.gz FIWRTJJMNBDGRT-UHFFFAOYSA-N 2 0 351.495 2.934 20 5 FFBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872022847 731721231 /nfs/dbraw/zinc/72/12/31/731721231.db2.gz LTVWLGRRKYXLHG-HNNXBMFYSA-N 2 0 366.531 2.995 20 5 FFBDRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923501769 738292944 /nfs/dbraw/zinc/29/29/44/738292944.db2.gz VHNXNQQJDDPSSP-QWRGUYRKSA-N 2 0 359.373 2.622 20 5 FFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526647 1014613482 /nfs/dbraw/zinc/61/34/82/1014613482.db2.gz UOLHPLHYOZJNSK-GOSISDBHSA-N 2 0 360.502 2.812 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870392 1008908159 /nfs/dbraw/zinc/90/81/59/1008908159.db2.gz XIAZBVKOCGRPJM-IBGZPJMESA-N 2 0 360.458 2.697 20 5 FFBDRP C[NH+]1CCC(N(c2ccc3c(cccc3[N+](=O)[O-])n2)C2CC[NH2+]CC2)CC1 ZINC001158580285 1027066184 /nfs/dbraw/zinc/06/61/84/1027066184.db2.gz ATNDCCRLVBREBX-UHFFFAOYSA-N 2 0 369.469 2.796 20 5 FFBDRP [NH3+]CCCC[NH2+]CCCNc1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001162289923 1028492855 /nfs/dbraw/zinc/49/28/55/1028492855.db2.gz FIVJHVJQADHIBD-UHFFFAOYSA-N 2 0 351.838 2.927 20 5 FFBDRP COc1cc(N2CCC([NH2+]CC[C@@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001256087527 1038372037 /nfs/dbraw/zinc/37/20/37/1038372037.db2.gz DSOBNOHCFKHSPM-INIZCTEOSA-N 2 0 362.474 2.646 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@@H]3CCC[NH2+][C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001246107686 1039246826 /nfs/dbraw/zinc/24/68/26/1039246826.db2.gz GQEOLUWCHZIXPY-CABCVRRESA-N 2 0 362.474 2.550 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001246559275 1039396454 /nfs/dbraw/zinc/39/64/54/1039396454.db2.gz OUWRSUPDUWQBET-MELADBBJSA-N 2 0 353.438 2.980 20 5 FFBDRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254572484 1040808960 /nfs/dbraw/zinc/80/89/60/1040808960.db2.gz OPSUBAUCIGCERQ-GOSISDBHSA-N 2 0 355.438 2.792 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CC[C@@]34CCOC4)CC2)cc1 ZINC001308823234 1052503157 /nfs/dbraw/zinc/50/31/57/1052503157.db2.gz MHSAMOSZLDCFQN-FQEVSTJZSA-N 2 0 359.470 2.714 20 5 FFBDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473809317 1065373340 /nfs/dbraw/zinc/37/33/40/1065373340.db2.gz NKLWZUCCRGKRRU-HNNXBMFYSA-N 2 0 369.425 2.529 20 5 FFBDRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000106468528 250271086 /nfs/dbraw/zinc/27/10/86/250271086.db2.gz AAWWPDBYDJPVDQ-GJZGRUSLSA-N 2 0 351.447 2.582 20 5 FFBDRP Cc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302185621 258093802 /nfs/dbraw/zinc/09/38/02/258093802.db2.gz PGMMYRSDXRAROO-MRXNPFEDSA-N 2 0 358.442 2.956 20 5 FFBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000371294772 512312080 /nfs/dbraw/zinc/31/20/80/512312080.db2.gz MZJTZDINJUBACJ-KBRIMQKVSA-N 2 0 353.850 2.932 20 5 FFBDRP CC[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000154226815 508740807 /nfs/dbraw/zinc/74/08/07/508740807.db2.gz PDTYMEBSWKSDOW-LJQANCHMSA-N 2 0 360.502 2.533 20 5 FFBDRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192828459 509662479 /nfs/dbraw/zinc/66/24/79/509662479.db2.gz HVDVBSMJPQCSPF-HXUWFJFHSA-N 2 0 360.502 2.835 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000186582745 509784247 /nfs/dbraw/zinc/78/42/47/509784247.db2.gz GTDPFUTXZYAOTC-HZPDHXFCSA-N 2 0 364.490 2.670 20 5 FFBDRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245439944 509936897 /nfs/dbraw/zinc/93/68/97/509936897.db2.gz UAPKAZZVTKUAJJ-SWLSCSKDSA-N 2 0 368.865 2.849 20 5 FFBDRP C[NH2+]CC1CC[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000435391630 513574061 /nfs/dbraw/zinc/57/40/61/513574061.db2.gz XNZBWOUCVRQMDQ-UHFFFAOYSA-N 2 0 373.400 2.679 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422742838 513919815 /nfs/dbraw/zinc/91/98/15/513919815.db2.gz QTLOKWPQDDOBQF-QUCCMNQESA-N 2 0 353.422 2.983 20 5 FFBDRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422921508 513977141 /nfs/dbraw/zinc/97/71/41/513977141.db2.gz QFKOIUOCDFVMST-HUUCEWRRSA-N 2 0 363.458 2.875 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000449328616 514168654 /nfs/dbraw/zinc/16/86/54/514168654.db2.gz KAMITTSEAHHNTG-HNNXBMFYSA-N 2 0 358.442 2.651 20 5 FFBDRP CCOc1cc(N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000414759365 514277681 /nfs/dbraw/zinc/27/76/81/514277681.db2.gz WGIKMUUUUNWFFR-HOTGVXAUSA-N 2 0 362.474 2.504 20 5 FFBDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000480731676 515062174 /nfs/dbraw/zinc/06/21/74/515062174.db2.gz QPOCWKCKKNNETQ-MRXNPFEDSA-N 2 0 369.469 2.983 20 5 FFBDRP C[NH+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000573712715 518800501 /nfs/dbraw/zinc/80/05/01/518800501.db2.gz HXRIHVBJMKQKKI-UHFFFAOYSA-N 2 0 356.426 2.775 20 5 FFBDRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000566316895 519429579 /nfs/dbraw/zinc/42/95/79/519429579.db2.gz SHRSHMDOVBYEFI-UHFFFAOYSA-N 2 0 359.373 2.766 20 5 FFBDRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c([N+](=O)[O-])cc1OC ZINC000594735194 520123519 /nfs/dbraw/zinc/12/35/19/520123519.db2.gz HNMMGMCEOIJCOY-OAHLLOKOSA-N 2 0 363.458 2.824 20 5 FFBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000610798638 520848891 /nfs/dbraw/zinc/84/88/91/520848891.db2.gz IBNHHVDMGCKPBP-SFHVURJKSA-N 2 0 360.502 2.532 20 5 FFBDRP Cn1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601970002 521048592 /nfs/dbraw/zinc/04/85/92/521048592.db2.gz IJTJWTUDHHWFSM-INIZCTEOSA-N 2 0 357.458 2.863 20 5 FFBDRP Cc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596565980 521133636 /nfs/dbraw/zinc/13/36/36/521133636.db2.gz JQVGTXDJTMGMLG-MRXNPFEDSA-N 2 0 358.442 2.998 20 5 FFBDRP C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593735708 521181325 /nfs/dbraw/zinc/18/13/25/521181325.db2.gz ZHELPGDCRUUCHJ-SMDDNHRTSA-N 2 0 354.838 2.636 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)cn1 ZINC000602569049 521415626 /nfs/dbraw/zinc/41/56/26/521415626.db2.gz POZYVSYLKBEHQJ-UHFFFAOYSA-N 2 0 373.501 2.955 20 5 FFBDRP COCCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866255382 731044093 /nfs/dbraw/zinc/04/40/93/731044093.db2.gz RRLGPBLEYHGJKA-AWEZNQCLSA-N 2 0 353.438 2.755 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+](C3CC3)C3COC3)CC2)cc1 ZINC001205960051 1032085260 /nfs/dbraw/zinc/08/52/60/1032085260.db2.gz JBPQPHFKQLKKLQ-UHFFFAOYSA-N 2 0 359.470 2.713 20 5 FFBDRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000922394094 988554596 /nfs/dbraw/zinc/55/45/96/988554596.db2.gz UQMNQMNQMNXRAM-VBSBHUPXSA-N 2 0 361.486 2.863 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249489 1015439066 /nfs/dbraw/zinc/43/90/66/1015439066.db2.gz RRMNSVJBHWCGQX-OAHLLOKOSA-N 2 0 360.458 2.730 20 5 FFBDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850509798 1005819639 /nfs/dbraw/zinc/81/96/39/1005819639.db2.gz STVYZGDXGSDOKZ-KBXCAEBGSA-N 2 0 370.453 2.594 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870249 1008908627 /nfs/dbraw/zinc/90/86/27/1008908627.db2.gz UAXKTOJUHKUTOU-IBGZPJMESA-N 2 0 360.458 2.697 20 5 FFBDRP CN1CCC[C@@H]1C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001206694851 1032391955 /nfs/dbraw/zinc/39/19/55/1032391955.db2.gz PCNIRUPCMBWCCC-HXUWFJFHSA-N 2 0 360.502 2.533 20 5 FFBDRP C[NH+](C)C1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173014948 1012186534 /nfs/dbraw/zinc/18/65/34/1012186534.db2.gz XMBUQZUZZDLUEP-UHFFFAOYSA-N 2 0 368.428 2.868 20 5 FFBDRP CCC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000925855115 1017877747 /nfs/dbraw/zinc/87/77/47/1017877747.db2.gz OISQEYFBBYSQHY-IAGOWNOFSA-N 2 0 361.442 2.711 20 5 FFBDRP Cc1nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755780076 1023635543 /nfs/dbraw/zinc/63/55/43/1023635543.db2.gz MJDOGPFGCMEUNC-MRXNPFEDSA-N 2 0 357.458 2.874 20 5 FFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423673 1028165012 /nfs/dbraw/zinc/16/50/12/1028165012.db2.gz JDXKGHLVZXSWIQ-GCJKJVERSA-N 2 0 359.473 2.779 20 5 FFBDRP Cn1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000841032056 1029992503 /nfs/dbraw/zinc/99/25/03/1029992503.db2.gz IMUKHUYSDDRGCH-UHFFFAOYSA-N 2 0 365.437 2.786 20 5 FFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635497 1033722985 /nfs/dbraw/zinc/72/29/85/1033722985.db2.gz JKCZSVACKJEEOU-FIKGOQFSSA-N 2 0 365.452 2.679 20 5 FFBDRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246107347 1039245525 /nfs/dbraw/zinc/24/55/25/1039245525.db2.gz HPHVOHPVVBXQMW-AWEZNQCLSA-N 2 0 355.438 2.970 20 5 FFBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1N1CC[NH2+]CC1 ZINC001246314345 1039311714 /nfs/dbraw/zinc/31/17/14/1039311714.db2.gz AKRHZAZMBVLEDY-MRXNPFEDSA-N 2 0 354.454 2.725 20 5 FFBDRP C[NH+](C)Cc1ccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001249277331 1040663967 /nfs/dbraw/zinc/66/39/67/1040663967.db2.gz LXRIMIOIBXAXMX-QGZVFWFLSA-N 2 0 367.409 2.949 20 5 FFBDRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254572485 1040807935 /nfs/dbraw/zinc/80/79/35/1040807935.db2.gz OPSUBAUCIGCERQ-SFHVURJKSA-N 2 0 355.438 2.792 20 5 FFBDRP CN1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1(C)C ZINC001308920540 1052519208 /nfs/dbraw/zinc/51/92/08/1052519208.db2.gz SUNHHWDASPKIMX-UHFFFAOYSA-N 2 0 374.529 2.875 20 5 FFBDRP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1 ZINC001335419664 1053349715 /nfs/dbraw/zinc/34/97/15/1053349715.db2.gz DENMDOHDLMZNML-FQEVSTJZSA-N 2 0 369.465 2.881 20 5 FFBDRP C[N@@H+]1C[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC001353351258 1056324215 /nfs/dbraw/zinc/32/42/15/1056324215.db2.gz ICHWYMSAFBDRDB-HOJAQTOUSA-N 2 0 355.438 2.563 20 5 FFBDRP CN1CC[NH+](CC2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000289391891 257278770 /nfs/dbraw/zinc/27/87/70/257278770.db2.gz FBZYADGERUKQEV-GQCTYLIASA-N 2 0 358.486 2.567 20 5 FFBDRP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CCC[NH+](C)C)CC1 ZINC000123159230 508645201 /nfs/dbraw/zinc/64/52/01/508645201.db2.gz FGHIJJLETKHZJE-HNNXBMFYSA-N 2 0 362.474 2.976 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246546190 510548065 /nfs/dbraw/zinc/54/80/65/510548065.db2.gz AVESPDCOWVNIJK-YJBOKZPZSA-N 2 0 360.458 2.648 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000246617116 510586482 /nfs/dbraw/zinc/58/64/82/510586482.db2.gz DXPAQWSPXZTRNV-MAUKXSAKSA-N 2 0 360.458 2.648 20 5 FFBDRP C[N@@H+]1CC[C@]2(CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292133246 511478645 /nfs/dbraw/zinc/47/86/45/511478645.db2.gz LLBYWPTWHQNPIO-IBGZPJMESA-N 2 0 356.426 2.820 20 5 FFBDRP C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000417315664 514289861 /nfs/dbraw/zinc/28/98/61/514289861.db2.gz SQQYJHKYNACWGX-OXQOHEQNSA-N 2 0 360.502 2.835 20 5 FFBDRP Cn1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000453595012 514710931 /nfs/dbraw/zinc/71/09/31/514710931.db2.gz JODCBUFFCVISSC-UHFFFAOYSA-N 2 0 357.458 2.959 20 5 FFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000468630010 515445503 /nfs/dbraw/zinc/44/55/03/515445503.db2.gz KHIIECLPBURTCQ-LGMDPLHJSA-N 2 0 360.502 2.861 20 5 FFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000468654877 515455574 /nfs/dbraw/zinc/45/55/74/515455574.db2.gz CZBMEOGXZMIRKS-KEWOFRHOSA-N 2 0 360.502 2.860 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000589497113 519018476 /nfs/dbraw/zinc/01/84/76/519018476.db2.gz BOKWDLXIPSCIQK-UHFFFAOYSA-N 2 0 363.458 2.934 20 5 FFBDRP CN1CC[NH+](CC2(C)CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000612593222 520039110 /nfs/dbraw/zinc/03/91/10/520039110.db2.gz BEISRWOIWHFDGE-ALCCZGGFSA-N 2 0 372.513 2.958 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000592492564 520417096 /nfs/dbraw/zinc/41/70/96/520417096.db2.gz AOLFLJXJFGSSBK-HOTGVXAUSA-N 2 0 371.441 2.856 20 5 FFBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000595900359 520804991 /nfs/dbraw/zinc/80/49/91/520804991.db2.gz DBUJNHSPUOYBEO-MRXNPFEDSA-N 2 0 371.441 2.856 20 5 FFBDRP COc1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000595900402 520805487 /nfs/dbraw/zinc/80/54/87/520805487.db2.gz FGSKGPMQBKOCQJ-MRXNPFEDSA-N 2 0 363.458 2.694 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000595901471 520808106 /nfs/dbraw/zinc/80/81/06/520808106.db2.gz WNVKTJHSDDDQFD-MRXNPFEDSA-N 2 0 371.441 2.856 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000595901470 520808229 /nfs/dbraw/zinc/80/82/29/520808229.db2.gz WNVKTJHSDDDQFD-INIZCTEOSA-N 2 0 371.441 2.856 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593316802 520905479 /nfs/dbraw/zinc/90/54/79/520905479.db2.gz XSTOSIDBOQRWFF-GMBSWORKSA-N 2 0 363.458 2.712 20 5 FFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000596097509 520910084 /nfs/dbraw/zinc/91/00/84/520910084.db2.gz YKBCKTIXDPLJFW-FGTMMUONSA-N 2 0 361.490 2.987 20 5 FFBDRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000596652859 521190860 /nfs/dbraw/zinc/19/08/60/521190860.db2.gz JLZSWLRJSSUDQD-IBGZPJMESA-N 2 0 374.485 2.552 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000602499247 521382486 /nfs/dbraw/zinc/38/24/86/521382486.db2.gz GXMDKKNBSCOGAA-UHFFFAOYSA-N 2 0 369.465 2.884 20 5 FFBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602543306 521404821 /nfs/dbraw/zinc/40/48/21/521404821.db2.gz AFMPHIXABIRUFI-MRXNPFEDSA-N 2 0 361.490 2.669 20 5 FFBDRP CC[NH+]1CCC(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602556397 521409809 /nfs/dbraw/zinc/40/98/09/521409809.db2.gz FOJMCHVLCIMTNS-UHFFFAOYSA-N 2 0 361.490 2.670 20 5 FFBDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000891611911 734452079 /nfs/dbraw/zinc/45/20/79/734452079.db2.gz YDZFAJWKIIKGLO-UHFFFAOYSA-N 2 0 351.447 2.863 20 5 FFBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311580638 970060719 /nfs/dbraw/zinc/06/07/19/970060719.db2.gz CPVXRIBCPNKFHJ-YLJYHZDGSA-N 2 0 355.438 2.740 20 5 FFBDRP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249599 1015438844 /nfs/dbraw/zinc/43/88/44/1015438844.db2.gz VTRPQYSDRSTIQH-HNNXBMFYSA-N 2 0 360.458 2.730 20 5 FFBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001169021545 1000017597 /nfs/dbraw/zinc/01/75/97/1000017597.db2.gz LJWAMRQGRKRDRJ-IEBWSBKVSA-N 2 0 358.486 2.815 20 5 FFBDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850509800 1005819476 /nfs/dbraw/zinc/81/94/76/1005819476.db2.gz STVYZGDXGSDOKZ-KSSFIOAISA-N 2 0 370.453 2.594 20 5 FFBDRP [NH3+]CCC[C@H]([NH3+])Nc1nc2ccsc2c(Oc2cccc([N+](=O)[O-])c2)n1 ZINC001170897704 1007896998 /nfs/dbraw/zinc/89/69/98/1007896998.db2.gz JEDRDRBLSWCRBA-CYBMUJFWSA-N 2 0 374.426 2.827 20 5 FFBDRP COCCC[NH+]1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172901376 1012075556 /nfs/dbraw/zinc/07/55/56/1012075556.db2.gz MOENENSXTYDVIY-SFHVURJKSA-N 2 0 361.486 2.933 20 5 FFBDRP C[NH+]1CCC(N(c2nccc3cc([N+](=O)[O-])ccc32)C2CC[NH2+]CC2)CC1 ZINC001158591120 1027070768 /nfs/dbraw/zinc/07/07/68/1027070768.db2.gz NZFKNVYDVMHETO-UHFFFAOYSA-N 2 0 369.469 2.796 20 5 FFBDRP O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CCCC[NH2+]C3)CC2)c(F)c1 ZINC001246091828 1039241633 /nfs/dbraw/zinc/24/16/33/1039241633.db2.gz QPNVVFGGKUKFDQ-ZDUSSCGKSA-N 2 0 354.401 2.574 20 5 FFBDRP Cc1nccn1-c1cc[nH+]cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001251846277 1039320713 /nfs/dbraw/zinc/32/07/13/1039320713.db2.gz AKTMOYXMTBWBGM-UHFFFAOYSA-N 2 0 353.338 2.501 20 5 FFBDRP O=C(NCCC[NH2+]C1CC[NH2+]CC1)c1c2ccccc2nc2ccccc21 ZINC001246482857 1039364927 /nfs/dbraw/zinc/36/49/27/1039364927.db2.gz IVDWQQHZIOSFGG-UHFFFAOYSA-N 2 0 362.477 2.850 20 5 FFBDRP COc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290486797 257334681 /nfs/dbraw/zinc/33/46/81/257334681.db2.gz OIVXLQYONLKKFZ-OAHLLOKOSA-N 2 0 363.458 2.776 20 5 FFBDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000074319829 508012013 /nfs/dbraw/zinc/01/20/13/508012013.db2.gz LBSFTWVAUYFCOP-UHFFFAOYSA-N 2 0 362.474 2.638 20 5 FFBDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000077449969 508317674 /nfs/dbraw/zinc/31/76/74/508317674.db2.gz PGNUQMDGQVQCON-UHFFFAOYSA-N 2 0 361.467 2.870 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150835178 508903931 /nfs/dbraw/zinc/90/39/31/508903931.db2.gz KNXQTKSCPNXIJK-MRXNPFEDSA-N 2 0 360.458 2.650 20 5 FFBDRP Cc1c(NC(=O)[C@@H](C)N2CCC(c3ncc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000266785911 509192580 /nfs/dbraw/zinc/19/25/80/509192580.db2.gz WBMOZTNVRAPIHV-CYBMUJFWSA-N 2 0 357.414 2.833 20 5 FFBDRP C[C@@H]1C[NH+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000170689578 509724714 /nfs/dbraw/zinc/72/47/14/509724714.db2.gz FEFIBMJWPXRDFQ-IAGOWNOFSA-N 2 0 361.486 2.959 20 5 FFBDRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000193001649 509732239 /nfs/dbraw/zinc/73/22/39/509732239.db2.gz LQNHHZQUGMSIBK-UHFFFAOYSA-N 2 0 360.502 2.975 20 5 FFBDRP C[N@@H+]1CCC[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@H]21 ZINC000246541533 510545679 /nfs/dbraw/zinc/54/56/79/510545679.db2.gz AQULGWWXIFFQHG-GOEBONIOSA-N 2 0 357.414 2.561 20 5 FFBDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000374426292 512828198 /nfs/dbraw/zinc/82/81/98/512828198.db2.gz DCFVKCCDCGNGLO-HLLBOEOZSA-N 2 0 353.850 2.932 20 5 FFBDRP O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423176034 514069041 /nfs/dbraw/zinc/06/90/41/514069041.db2.gz BOWVHVURZAMSKT-FQEVSTJZSA-N 2 0 354.454 2.569 20 5 FFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000468654879 515455728 /nfs/dbraw/zinc/45/57/28/515455728.db2.gz CZBMEOGXZMIRKS-MJLBXUHQSA-N 2 0 360.502 2.860 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000595023347 520260143 /nfs/dbraw/zinc/26/01/43/520260143.db2.gz VZVWJHHNSDJOPR-VHSSKADRSA-N 2 0 363.458 2.632 20 5 FFBDRP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592492944 520415609 /nfs/dbraw/zinc/41/56/09/520415609.db2.gz ISXTWSBTNYKVMV-HOTGVXAUSA-N 2 0 363.458 2.694 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492897 520416301 /nfs/dbraw/zinc/41/63/01/520416301.db2.gz GSGLSVLTSAUBAH-SJORKVTESA-N 2 0 374.485 2.943 20 5 FFBDRP [NH3+][C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000602021539 521082484 /nfs/dbraw/zinc/08/24/84/521082484.db2.gz PKGXVTYNMKAKIC-KZNAEPCWSA-N 2 0 357.458 2.825 20 5 FFBDRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000596652860 521191525 /nfs/dbraw/zinc/19/15/25/521191525.db2.gz JLZSWLRJSSUDQD-LJQANCHMSA-N 2 0 374.485 2.552 20 5 FFBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000618983939 521333577 /nfs/dbraw/zinc/33/35/77/521333577.db2.gz CIXCJGWFLNRLKR-SFHVURJKSA-N 2 0 360.502 2.933 20 5 FFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000615724171 521512594 /nfs/dbraw/zinc/51/25/94/521512594.db2.gz WBXFULGDAWYJTP-FXFXYLOPSA-N 2 0 358.486 2.756 20 5 FFBDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872022848 731721257 /nfs/dbraw/zinc/72/12/57/731721257.db2.gz LTVWLGRRKYXLHG-OAHLLOKOSA-N 2 0 366.531 2.995 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000872067551 731726127 /nfs/dbraw/zinc/72/61/27/731726127.db2.gz BANGUMFDMHHHKG-CQSZACIVSA-N 2 0 366.531 2.993 20 5 FFBDRP C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CC[NH3+] ZINC000846225404 748434148 /nfs/dbraw/zinc/43/41/48/748434148.db2.gz ASPDCUZDUIFHTI-BLLLJJGKSA-N 2 0 352.410 2.512 20 5 FFBDRP Cc1cc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896520522 971534875 /nfs/dbraw/zinc/53/48/75/971534875.db2.gz DALUVAPWFDVKAW-MRXNPFEDSA-N 2 0 356.426 2.539 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000873238464 1013438109 /nfs/dbraw/zinc/43/81/09/1013438109.db2.gz ZEAFZHVNAJIBIA-UHFFFAOYSA-N 2 0 366.465 2.999 20 5 FFBDRP COc1c(O)ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000894135132 977942595 /nfs/dbraw/zinc/94/25/95/977942595.db2.gz RJCGGJWPMZIVKW-MRXNPFEDSA-N 2 0 371.437 2.921 20 5 FFBDRP COc1cc(C[NH2+]C2CC([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000906510165 980673102 /nfs/dbraw/zinc/67/31/02/980673102.db2.gz OVWWYPKKBOIACK-UHFFFAOYSA-N 2 0 357.410 2.762 20 5 FFBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2ccc3ccc(Br)nc3c2n1 ZINC001170900126 1007899856 /nfs/dbraw/zinc/89/98/56/1007899856.db2.gz IQENUZZNBSSTGK-ZDUSSCGKSA-N 2 0 360.259 2.981 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CCc4c[nH]nc4C3)CC2)cc1 ZINC001180147703 1009580695 /nfs/dbraw/zinc/58/06/95/1009580695.db2.gz LKZLDKJLJYCUCV-UHFFFAOYSA-N 2 0 369.469 2.631 20 5 FFBDRP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172901375 1012075626 /nfs/dbraw/zinc/07/56/26/1012075626.db2.gz MOENENSXTYDVIY-GOSISDBHSA-N 2 0 361.486 2.933 20 5 FFBDRP C[NH+]1CCC(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173006639 1012174960 /nfs/dbraw/zinc/17/49/60/1012174960.db2.gz ZFRLNVGADVHKNY-UHFFFAOYSA-N 2 0 368.428 2.773 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC3(C[NH+](C)C3)CC2)c1F ZINC001173194277 1012338037 /nfs/dbraw/zinc/33/80/37/1012338037.db2.gz YZXVNYNYGJZAJZ-CYBMUJFWSA-N 2 0 351.422 2.701 20 5 FFBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001173219630 1012351859 /nfs/dbraw/zinc/35/18/59/1012351859.db2.gz ONARVALBXRIDSY-CJNGLKHVSA-N 2 0 366.462 2.705 20 5 FFBDRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000925886386 1017882117 /nfs/dbraw/zinc/88/21/17/1017882117.db2.gz FTGDBBYEBURQQS-XSYGEPLQSA-N 2 0 369.469 2.924 20 5 FFBDRP Cc1nccn1CCC[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957699 1020330013 /nfs/dbraw/zinc/33/00/13/1020330013.db2.gz JLDVJZRFJSKAJJ-UHFFFAOYSA-N 2 0 354.414 2.943 20 5 FFBDRP Cc1cc([N+](=O)[O-])c(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)nc1Cl ZINC001158575669 1027065266 /nfs/dbraw/zinc/06/52/66/1027065266.db2.gz QMOMOCBBPXHERS-UHFFFAOYSA-N 2 0 367.881 2.604 20 5 FFBDRP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])Cc3c4ccccc4cc4ccccc43)C2)C1 ZINC001161531176 1028215339 /nfs/dbraw/zinc/21/53/39/1028215339.db2.gz BIKMDHJZPGJYAK-NRFANRHFSA-N 2 0 359.473 2.637 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCNCc3cccnc3)CC2)cc1 ZINC000841041417 1029995336 /nfs/dbraw/zinc/99/53/36/1029995336.db2.gz FSZHGKYRFZXGSG-UHFFFAOYSA-N 2 0 369.469 2.728 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001246559268 1039396140 /nfs/dbraw/zinc/39/61/40/1039396140.db2.gz OUWRSUPDUWQBET-HZSPNIEDSA-N 2 0 353.438 2.980 20 5 FFBDRP C[N@@H+]1C[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC001353351259 1056324707 /nfs/dbraw/zinc/32/47/07/1056324707.db2.gz ICHWYMSAFBDRDB-YZGWKJHDSA-N 2 0 355.438 2.563 20 5 FFBDRP CC[C@@H]1CN(C)CC[N@@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462267744 1061562789 /nfs/dbraw/zinc/56/27/89/1061562789.db2.gz DAJPUKALNLNFAD-HXUWFJFHSA-N 2 0 374.529 2.875 20 5 FFBDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279209501 256393284 /nfs/dbraw/zinc/39/32/84/256393284.db2.gz YBKAHLNTUQKKIM-IBGZPJMESA-N 2 0 360.502 2.934 20 5 FFBDRP Cc1c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000373257085 512242576 /nfs/dbraw/zinc/24/25/76/512242576.db2.gz SPMAHIUNRVQJSD-UHFFFAOYSA-N 2 0 360.502 2.753 20 5 FFBDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000105476374 508373192 /nfs/dbraw/zinc/37/31/92/508373192.db2.gz ADZLAGCUFOOQQY-UHFFFAOYSA-N 2 0 372.469 2.972 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000152892783 508529216 /nfs/dbraw/zinc/52/92/16/508529216.db2.gz PMTJVADLMCEBQP-MRXNPFEDSA-N 2 0 364.490 2.672 20 5 FFBDRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000129676859 508753279 /nfs/dbraw/zinc/75/32/79/508753279.db2.gz STPCRHRMIOFILM-YOEHRIQHSA-N 2 0 357.414 2.703 20 5 FFBDRP COc1ccc(OCC[NH+]2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000173533995 509645393 /nfs/dbraw/zinc/64/53/93/509645393.db2.gz RNIVWTPPQBTIBD-UHFFFAOYSA-N 2 0 363.458 2.790 20 5 FFBDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000268412070 509913935 /nfs/dbraw/zinc/91/39/35/509913935.db2.gz IFWCRXQEXWYDMP-UHFFFAOYSA-N 2 0 373.400 2.521 20 5 FFBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)s1 ZINC000262148738 510192452 /nfs/dbraw/zinc/19/24/52/510192452.db2.gz QSYHHADPTRSXRW-OAHLLOKOSA-N 2 0 372.494 2.803 20 5 FFBDRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000174773862 510304312 /nfs/dbraw/zinc/30/43/12/510304312.db2.gz OYJZDIHMMSOEPM-MLGOLLRUSA-N 2 0 368.865 2.849 20 5 FFBDRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000184622125 510422427 /nfs/dbraw/zinc/42/24/27/510422427.db2.gz OEHKPWIMDFYBGN-KXBFYZLASA-N 2 0 370.453 2.665 20 5 FFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884613 513357152 /nfs/dbraw/zinc/35/71/52/513357152.db2.gz PQDYQCDPPWWFMC-CQSZACIVSA-N 2 0 360.458 2.776 20 5 FFBDRP Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435378670 513569990 /nfs/dbraw/zinc/56/99/90/513569990.db2.gz FRHCIZBEVHGMQE-LJQANCHMSA-N 2 0 369.469 2.959 20 5 FFBDRP C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1 ZINC000432138358 514105143 /nfs/dbraw/zinc/10/51/43/514105143.db2.gz LBZFVSZTYOSWPT-HNNXBMFYSA-N 2 0 369.469 2.748 20 5 FFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423361221 514117316 /nfs/dbraw/zinc/11/73/16/514117316.db2.gz RHCPBZIKCXKTLZ-CYBMUJFWSA-N 2 0 354.410 2.705 20 5 FFBDRP Cc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000415140308 514465209 /nfs/dbraw/zinc/46/52/09/514465209.db2.gz YPELZPBOLQFVSP-UHFFFAOYSA-N 2 0 368.481 2.986 20 5 FFBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000490012927 515067966 /nfs/dbraw/zinc/06/79/66/515067966.db2.gz KFNRASDACANNFT-MRXNPFEDSA-N 2 0 351.447 2.536 20 5 FFBDRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000493246877 515614316 /nfs/dbraw/zinc/61/43/16/515614316.db2.gz JPZFOMHSHYKQOL-LJQANCHMSA-N 2 0 355.438 2.731 20 5 FFBDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)CC1 ZINC000589199408 518949431 /nfs/dbraw/zinc/94/94/31/518949431.db2.gz HYJWSAWPCLDAEO-HNNXBMFYSA-N 2 0 361.442 2.530 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493000 520416033 /nfs/dbraw/zinc/41/60/33/520416033.db2.gz LGPCFSNHDHSLQE-IAGOWNOFSA-N 2 0 374.485 2.943 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492969 520416586 /nfs/dbraw/zinc/41/65/86/520416586.db2.gz JVAUFIOWCXKHLM-HZPDHXFCSA-N 2 0 360.458 2.553 20 5 FFBDRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602507680 521384614 /nfs/dbraw/zinc/38/46/14/521384614.db2.gz GPVJLHYWHNVLHF-UHFFFAOYSA-N 2 0 374.407 2.729 20 5 FFBDRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602512975 521388018 /nfs/dbraw/zinc/38/80/18/521388018.db2.gz YRRUSZUFPAUTMJ-UHFFFAOYSA-N 2 0 374.407 2.731 20 5 FFBDRP C[NH+](C)CC1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602583573 521423257 /nfs/dbraw/zinc/42/32/57/521423257.db2.gz RMQCBCKSSVYALO-UHFFFAOYSA-N 2 0 361.490 2.669 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)cn1 ZINC000602717948 521493022 /nfs/dbraw/zinc/49/30/22/521493022.db2.gz QQZVMXVNHFGPOZ-UHFFFAOYSA-N 2 0 373.501 2.670 20 5 FFBDRP CC(C)[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000872020348 731721159 /nfs/dbraw/zinc/72/11/59/731721159.db2.gz GJNAAKDXYZWAGP-YOEHRIQHSA-N 2 0 352.454 2.657 20 5 FFBDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000130505012 987370115 /nfs/dbraw/zinc/37/01/15/987370115.db2.gz OOERUPSOCYESIJ-LJQANCHMSA-N 2 0 369.469 2.983 20 5 FFBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)C1 ZINC001169019593 1000017517 /nfs/dbraw/zinc/01/75/17/1000017517.db2.gz GSNAMIYUYWHECH-PMACEKPBSA-N 2 0 373.497 2.799 20 5 FFBDRP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169174818 1000030624 /nfs/dbraw/zinc/03/06/24/1000030624.db2.gz VXYKRRSIAVZUEJ-UHFFFAOYSA-N 2 0 366.421 2.960 20 5 FFBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819275535 1008097678 /nfs/dbraw/zinc/09/76/78/1008097678.db2.gz WVMUDIRSGWFRGN-PXNSSMCTSA-N 2 0 355.438 2.740 20 5 FFBDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001177198927 1008515661 /nfs/dbraw/zinc/51/56/61/1008515661.db2.gz AVULCUOUIRNTKD-UHFFFAOYSA-N 2 0 372.469 2.970 20 5 FFBDRP CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000866226186 1010955239 /nfs/dbraw/zinc/95/52/39/1010955239.db2.gz HCLLTTOKXJVHMZ-DNVCBOLYSA-N 2 0 366.481 2.527 20 5 FFBDRP [NH3+]C1CC[NH+](CCc2cn(-c3cccc([N+](=O)[O-])n3)c3ccccc23)CC1 ZINC001159459793 1027397094 /nfs/dbraw/zinc/39/70/94/1027397094.db2.gz FRVBETMBIKQHIP-UHFFFAOYSA-N 2 0 365.437 2.899 20 5 FFBDRP [NH3+]C1(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCCC1 ZINC001246074416 1039236429 /nfs/dbraw/zinc/23/64/29/1039236429.db2.gz CZNMVCDGXQROKO-UHFFFAOYSA-N 2 0 354.401 2.703 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH+]3CC([C@H]4CCOC4)C3)CC2)cc1 ZINC001308728189 1052492009 /nfs/dbraw/zinc/49/20/09/1052492009.db2.gz DAYGVHGANSCRLC-IBGZPJMESA-N 2 0 373.497 2.818 20 5 FFBDRP C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000116396984 508507142 /nfs/dbraw/zinc/50/71/42/508507142.db2.gz CEYMVSGNBIKPLM-BBRMVZONSA-N 2 0 350.463 2.878 20 5 FFBDRP Cc1c([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cccc1[N+](=O)[O-] ZINC000159165611 508801593 /nfs/dbraw/zinc/80/15/93/508801593.db2.gz ARQUTBXCAIKOHX-MRXNPFEDSA-N 2 0 369.469 2.901 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192823652 509658935 /nfs/dbraw/zinc/65/89/35/509658935.db2.gz DIVNSLQBRXHOEZ-OXJNMPFZSA-N 2 0 360.502 2.835 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192823698 509659444 /nfs/dbraw/zinc/65/94/44/509659444.db2.gz DIVNSLQBRXHOEZ-UZLBHIALSA-N 2 0 360.502 2.835 20 5 FFBDRP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173949114 509870881 /nfs/dbraw/zinc/87/08/81/509870881.db2.gz KWROEWULEUDCHT-UHFFFAOYSA-N 2 0 363.458 2.550 20 5 FFBDRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261776086 510060607 /nfs/dbraw/zinc/06/06/07/510060607.db2.gz PCPOCLWILJBTKL-APWZRJJASA-N 2 0 368.437 2.598 20 5 FFBDRP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000297564571 510993113 /nfs/dbraw/zinc/99/31/13/510993113.db2.gz BKVXDMAMGJTKNC-UHFFFAOYSA-N 2 0 352.398 2.625 20 5 FFBDRP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423042367 514016634 /nfs/dbraw/zinc/01/66/34/514016634.db2.gz KVOYMFWQEGWHIX-BZUAXINKSA-N 2 0 353.850 2.537 20 5 FFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423361222 514116080 /nfs/dbraw/zinc/11/60/80/514116080.db2.gz RHCPBZIKCXKTLZ-ZDUSSCGKSA-N 2 0 354.410 2.705 20 5 FFBDRP CCC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403201 514130989 /nfs/dbraw/zinc/13/09/89/514130989.db2.gz ZBQUDBWGOOPIGQ-HZPDHXFCSA-N 2 0 374.407 2.862 20 5 FFBDRP CN(c1ccccc1)c1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415141342 514466363 /nfs/dbraw/zinc/46/63/63/514466363.db2.gz MZJUNPHUKVGEAV-UHFFFAOYSA-N 2 0 370.453 2.648 20 5 FFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000490154064 515125134 /nfs/dbraw/zinc/12/51/34/515125134.db2.gz AZZXBVLZOGBRSP-UHFFFAOYSA-N 2 0 370.881 2.594 20 5 FFBDRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000493246876 515614041 /nfs/dbraw/zinc/61/40/41/515614041.db2.gz JPZFOMHSHYKQOL-IBGZPJMESA-N 2 0 355.438 2.731 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000540747236 516694720 /nfs/dbraw/zinc/69/47/20/516694720.db2.gz NCLFURBGNLQEHR-QAPCUYQASA-N 2 0 364.490 2.646 20 5 FFBDRP CC(C)[N@H+](C)CC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000533271445 517376014 /nfs/dbraw/zinc/37/60/14/517376014.db2.gz ZRTRIEROHVVXOF-UHFFFAOYSA-N 2 0 374.485 2.536 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000581944035 518514993 /nfs/dbraw/zinc/51/49/93/518514993.db2.gz NGXCSKSXQIUSOK-INIZCTEOSA-N 2 0 360.458 2.553 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000602878503 519944358 /nfs/dbraw/zinc/94/43/58/519944358.db2.gz XOYFIRWYOCUOJH-HNNXBMFYSA-N 2 0 360.458 2.648 20 5 FFBDRP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000594614212 520056404 /nfs/dbraw/zinc/05/64/04/520056404.db2.gz JRJWQJDIEPWBQT-BJHJDKERSA-N 2 0 373.400 2.677 20 5 FFBDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595005569 520252198 /nfs/dbraw/zinc/25/21/98/520252198.db2.gz AQDJEUHTGLKLHS-MRXNPFEDSA-N 2 0 364.490 2.672 20 5 FFBDRP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900782 520804498 /nfs/dbraw/zinc/80/44/98/520804498.db2.gz LDZAMUXLZMYIFT-GOEBONIOSA-N 2 0 360.458 2.633 20 5 FFBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901291 520808506 /nfs/dbraw/zinc/80/85/06/520808506.db2.gz UUEAVHDNCMVHTI-HOCLYGCPSA-N 2 0 360.458 2.633 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593316804 520905110 /nfs/dbraw/zinc/90/51/10/520905110.db2.gz XSTOSIDBOQRWFF-URLQWDBASA-N 2 0 363.458 2.712 20 5 FFBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000618983938 521333446 /nfs/dbraw/zinc/33/34/46/521333446.db2.gz CIXCJGWFLNRLKR-GOSISDBHSA-N 2 0 360.502 2.933 20 5 FFBDRP CC(C)C[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602508417 521386032 /nfs/dbraw/zinc/38/60/32/521386032.db2.gz BVAPUNBOZLXHQB-UHFFFAOYSA-N 2 0 361.490 2.669 20 5 FFBDRP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C[NH+]1CCCCC1 ZINC000602519098 521392122 /nfs/dbraw/zinc/39/21/22/521392122.db2.gz VKTNPDKUSTWYRK-INIZCTEOSA-N 2 0 361.490 2.670 20 5 FFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000602808853 521545182 /nfs/dbraw/zinc/54/51/82/521545182.db2.gz FGXGHVCYZDOGHH-HOTGVXAUSA-N 2 0 371.485 2.846 20 5 FFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000602824050 521552991 /nfs/dbraw/zinc/55/29/91/521552991.db2.gz LITNZQAQVKWTKF-SFHVURJKSA-N 2 0 371.485 2.990 20 5 FFBDRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000922385380 738134741 /nfs/dbraw/zinc/13/47/41/738134741.db2.gz ASZDZKJNAYTHMH-BDXSIMOUSA-N 2 0 367.877 2.818 20 5 FFBDRP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841087672 747265877 /nfs/dbraw/zinc/26/58/77/747265877.db2.gz PTZWNZHXQHZSBR-UHFFFAOYSA-N 2 0 352.866 2.554 20 5 FFBDRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387115 747822488 /nfs/dbraw/zinc/82/24/88/747822488.db2.gz FEFXJYPLBQTVHU-OLZOCXBDSA-N 2 0 366.849 2.508 20 5 FFBDRP COc1ccc(OCC[NH+]2CCC3(CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC001196790293 1003956285 /nfs/dbraw/zinc/95/62/85/1003956285.db2.gz SOEPNQRVZMJHLP-UHFFFAOYSA-N 2 0 363.458 2.790 20 5 FFBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819275534 1008097703 /nfs/dbraw/zinc/09/77/03/1008097703.db2.gz WVMUDIRSGWFRGN-FXAWDEMLSA-N 2 0 355.438 2.740 20 5 FFBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000819275537 1008097736 /nfs/dbraw/zinc/09/77/36/1008097736.db2.gz WVMUDIRSGWFRGN-YLJYHZDGSA-N 2 0 355.438 2.740 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCC[C@H](CO)C3)CC2)cc1 ZINC001179849834 1009470134 /nfs/dbraw/zinc/47/01/34/1009470134.db2.gz KDDDNGHAYFALCB-IBGZPJMESA-N 2 0 361.486 2.554 20 5 FFBDRP NC(=[NH2+])SCCSC(=[NH2+])N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913404 1012126346 /nfs/dbraw/zinc/12/63/46/1012126346.db2.gz VQGQNYSYCSOGQY-GFCCVEGCSA-N 2 0 367.500 2.726 20 5 FFBDRP COc1cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903064940 1020659715 /nfs/dbraw/zinc/65/97/15/1020659715.db2.gz CBIGZESDGKLCQW-HNAYVOBHSA-N 2 0 364.490 2.526 20 5 FFBDRP Nc1ccc2cc3ccc(Nc4cnc(N5CC[NH2+]CC5)nc4)cc3[nH+]c2c1 ZINC001159700803 1027470378 /nfs/dbraw/zinc/47/03/78/1027470378.db2.gz SYWDVTZRGBPNNY-UHFFFAOYSA-N 2 0 371.448 2.913 20 5 FFBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001219005896 1033456158 /nfs/dbraw/zinc/45/61/58/1033456158.db2.gz XRMXQXCQDJSLNS-NRFANRHFSA-N 2 0 364.449 2.895 20 5 FFBDRP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC[C@]1(O)CC[NH2+]C1 ZINC001245971845 1039170859 /nfs/dbraw/zinc/17/08/59/1039170859.db2.gz KAMHPGXPFFQDKR-NRFANRHFSA-N 2 0 350.466 2.899 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC[C@@H]2C)c1F ZINC001246115568 1039246430 /nfs/dbraw/zinc/24/64/30/1039246430.db2.gz ZZUDEFSJUKLXGR-IHRRRGAJSA-N 2 0 353.438 2.899 20 5 FFBDRP C[C@H]1CC[C@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[NH2+]C1 ZINC001246108301 1039246441 /nfs/dbraw/zinc/24/64/41/1039246441.db2.gz UVYGIGRMYHQSQD-GXTWGEPZSA-N 2 0 368.428 2.820 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001246558629 1039396906 /nfs/dbraw/zinc/39/69/06/1039396906.db2.gz NNNRYOPMYMLWTA-PXAZEXFGSA-N 2 0 357.401 2.826 20 5 FFBDRP CO[C@@H]1CCC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001474367780 1065503608 /nfs/dbraw/zinc/50/36/08/1065503608.db2.gz OQPGZUQDQRVTME-HXUWFJFHSA-N 2 0 361.486 2.960 20 5 FFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000081095873 508136464 /nfs/dbraw/zinc/13/64/64/508136464.db2.gz QZEDUSYWWSDMSM-CRAIPNDOSA-N 2 0 362.474 2.894 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000152908465 508530257 /nfs/dbraw/zinc/53/02/57/508530257.db2.gz WAMAQRXXSDLIOY-HOTGVXAUSA-N 2 0 364.490 2.670 20 5 FFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000248635397 509404629 /nfs/dbraw/zinc/40/46/29/509404629.db2.gz KHGUZKPBQCCCEC-WSTZPKSXSA-N 2 0 374.529 2.922 20 5 FFBDRP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175012922 510435652 /nfs/dbraw/zinc/43/56/52/510435652.db2.gz ZNDGVASYFSFNGK-WMZOPIPTSA-N 2 0 357.458 2.958 20 5 FFBDRP O=[N+]([O-])c1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000397542357 512948290 /nfs/dbraw/zinc/94/82/90/512948290.db2.gz BOQZIGZDOVILPR-UHFFFAOYSA-N 2 0 361.467 2.773 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423409458 514133381 /nfs/dbraw/zinc/13/33/81/514133381.db2.gz QDFLMGOIDHQGSU-CQSZACIVSA-N 2 0 351.447 2.660 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468626820 515443133 /nfs/dbraw/zinc/44/31/33/515443133.db2.gz JKVLOQNSLDDQLW-XCMFGDQWSA-N 2 0 360.502 2.861 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000525193200 516954402 /nfs/dbraw/zinc/95/44/02/516954402.db2.gz SAWXWFJOQSTLPI-UHFFFAOYSA-N 2 0 371.441 2.623 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533270531 517376430 /nfs/dbraw/zinc/37/64/30/517376430.db2.gz FDADCAGZAXJSQL-UHFFFAOYSA-N 2 0 362.474 2.894 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493034 520415540 /nfs/dbraw/zinc/41/55/40/520415540.db2.gz MUNIEVNUEFMLNL-OAGGEKHMSA-N 2 0 360.458 2.633 20 5 FFBDRP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592492943 520416845 /nfs/dbraw/zinc/41/68/45/520416845.db2.gz ISXTWSBTNYKVMV-CVEARBPZSA-N 2 0 363.458 2.694 20 5 FFBDRP COc1cc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000601335855 520746212 /nfs/dbraw/zinc/74/62/12/520746212.db2.gz YWTNCMCIJFYJQL-AAEUAGOBSA-N 2 0 371.384 2.779 20 5 FFBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000611276066 521075737 /nfs/dbraw/zinc/07/57/37/521075737.db2.gz JVUMXUPXUYEJOG-WPGJWXSHSA-N 2 0 358.486 2.708 20 5 FFBDRP [NH3+][C@H](CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000602021541 521082796 /nfs/dbraw/zinc/08/27/96/521082796.db2.gz PKGXVTYNMKAKIC-SQNIBIBYSA-N 2 0 357.458 2.825 20 5 FFBDRP C[NH2+]CCC1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000262000537 729656959 /nfs/dbraw/zinc/65/69/59/729656959.db2.gz PPTIKHUZDYGRRV-GFCCVEGCSA-N 2 0 368.865 2.897 20 5 FFBDRP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925764083 738528502 /nfs/dbraw/zinc/52/85/02/738528502.db2.gz VRDAQQJORXTZFK-VHRBIJSZSA-N 2 0 354.248 2.835 20 5 FFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872024233 731721633 /nfs/dbraw/zinc/72/16/33/731721633.db2.gz ZHPGOSOQKOKPRP-HUUCEWRRSA-N 2 0 366.531 2.993 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000872030849 731722451 /nfs/dbraw/zinc/72/24/51/731722451.db2.gz CQXDEILGHXSOIL-HUUCEWRRSA-N 2 0 366.531 2.851 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000872041572 731723502 /nfs/dbraw/zinc/72/35/02/731723502.db2.gz UPAVXJPNVREVOA-AWEZNQCLSA-N 2 0 366.531 2.993 20 5 FFBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000844903343 748133376 /nfs/dbraw/zinc/13/33/76/748133376.db2.gz XQEUCXROZXHCAV-SRCQZFHVSA-N 2 0 353.850 2.967 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873292970 1013465329 /nfs/dbraw/zinc/46/53/29/1013465329.db2.gz WVRINTHHBAYIRX-ZBFHGGJFSA-N 2 0 363.458 2.803 20 5 FFBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC000876900465 1014414134 /nfs/dbraw/zinc/41/41/34/1014414134.db2.gz IUSFBHVTOAMKFJ-UHFFFAOYSA-N 2 0 355.442 2.880 20 5 FFBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249488 1015438913 /nfs/dbraw/zinc/43/89/13/1015438913.db2.gz RRMNSVJBHWCGQX-HNNXBMFYSA-N 2 0 360.458 2.730 20 5 FFBDRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046842 1000018491 /nfs/dbraw/zinc/01/84/91/1000018491.db2.gz NSUJAKNRPBACJT-OALUTQOASA-N 2 0 354.539 2.562 20 5 FFBDRP COCCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170306773 1003119440 /nfs/dbraw/zinc/11/94/40/1003119440.db2.gz BUTMOVPBAPKKHL-HNNXBMFYSA-N 2 0 365.474 2.625 20 5 FFBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866270175 1010966816 /nfs/dbraw/zinc/96/68/16/1010966816.db2.gz SOQOJBIFWLFPHK-HUUCEWRRSA-N 2 0 365.449 2.755 20 5 FFBDRP C[NH+](C)CCCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007683 1012175971 /nfs/dbraw/zinc/17/59/71/1012175971.db2.gz XKWJOMIZYQOAFQ-UHFFFAOYSA-N 2 0 356.417 2.773 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1F ZINC001173179739 1012322558 /nfs/dbraw/zinc/32/25/58/1012322558.db2.gz PKGOYWGQDOFAQC-ZIAGYGMSSA-N 2 0 353.438 2.995 20 5 FFBDRP C[NH+](C)CCOc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)ccc1[N+](=O)[O-] ZINC001163229424 1028849419 /nfs/dbraw/zinc/84/94/19/1028849419.db2.gz IXKFMCXXDSHNJU-CQSZACIVSA-N 2 0 362.455 2.853 20 5 FFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421749 1029825746 /nfs/dbraw/zinc/82/57/46/1029825746.db2.gz FSUOAGVAJXLZKI-BDTNDASRSA-N 2 0 359.473 2.826 20 5 FFBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1N1CC[NH2+]CC1 ZINC001246314343 1039311129 /nfs/dbraw/zinc/31/11/29/1039311129.db2.gz AKRHZAZMBVLEDY-INIZCTEOSA-N 2 0 354.454 2.725 20 5 FFBDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000373173110 512205223 /nfs/dbraw/zinc/20/52/23/512205223.db2.gz MKZALQJPANREPS-OXJNMPFZSA-N 2 0 358.486 2.730 20 5 FFBDRP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366884815 512233342 /nfs/dbraw/zinc/23/33/42/512233342.db2.gz ORNPEGMJPZCVMJ-HNNXBMFYSA-N 2 0 360.458 2.730 20 5 FFBDRP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377617389 512356154 /nfs/dbraw/zinc/35/61/54/512356154.db2.gz APUHAJUTOSPKKB-XZXOBPBMSA-N 2 0 358.486 2.708 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000152890980 508528426 /nfs/dbraw/zinc/52/84/26/508528426.db2.gz MZWVXFAUTZRVAI-INIZCTEOSA-N 2 0 364.490 2.672 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868224 508688559 /nfs/dbraw/zinc/68/85/59/508688559.db2.gz QWCDIROMWWBRCH-UHFFFAOYSA-N 2 0 362.474 2.896 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150776324 508891378 /nfs/dbraw/zinc/89/13/78/508891378.db2.gz UHBCWSASHYYVLI-INIZCTEOSA-N 2 0 360.458 2.650 20 5 FFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000155573361 509029619 /nfs/dbraw/zinc/02/96/19/509029619.db2.gz PADGXTXDQNEGQA-QFBILLFUSA-N 2 0 360.502 2.532 20 5 FFBDRP O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000248134571 509243740 /nfs/dbraw/zinc/24/37/40/509243740.db2.gz OWZLPPXFLVIDPU-UYAOXDASSA-N 2 0 369.469 2.778 20 5 FFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186586952 509788510 /nfs/dbraw/zinc/78/85/10/509788510.db2.gz KHGUZKPBQCCCEC-GGPKGHCWSA-N 2 0 374.529 2.922 20 5 FFBDRP Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000177826805 510275963 /nfs/dbraw/zinc/27/59/63/510275963.db2.gz XSHHBAMURBQFQV-MRXNPFEDSA-N 2 0 369.469 2.901 20 5 FFBDRP Cc1cc(N2CC[NH+](C3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181520460 510451645 /nfs/dbraw/zinc/45/16/45/510451645.db2.gz BBWWXADUDOJSCQ-UHFFFAOYSA-N 2 0 356.426 2.752 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000271481716 511219257 /nfs/dbraw/zinc/21/92/57/511219257.db2.gz NPSMRMKGRIXIGK-LPHOPBHVSA-N 2 0 365.474 2.700 20 5 FFBDRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296745666 511881092 /nfs/dbraw/zinc/88/10/92/511881092.db2.gz PFYWMXXDMOESPP-HNAYVOBHSA-N 2 0 370.453 2.665 20 5 FFBDRP CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000420306029 514081849 /nfs/dbraw/zinc/08/18/49/514081849.db2.gz HFHNHEXSFHCONP-LBPRGKRZSA-N 2 0 354.838 2.651 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332986 514098124 /nfs/dbraw/zinc/09/81/24/514098124.db2.gz DUKHWMRJKNORDW-HOTGVXAUSA-N 2 0 360.458 2.553 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000449160995 514098084 /nfs/dbraw/zinc/09/80/84/514098084.db2.gz DAERGSDXZAVCST-LAUBAEHRSA-N 2 0 369.465 2.752 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423526126 514162997 /nfs/dbraw/zinc/16/29/97/514162997.db2.gz YYKWETKIBWLZRQ-MHJFOBGBSA-N 2 0 372.513 2.722 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424282775 514446052 /nfs/dbraw/zinc/44/60/52/514446052.db2.gz AKRJBAIAOGSMAT-OAHLLOKOSA-N 2 0 360.458 2.696 20 5 FFBDRP Cn1ccnc1[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459721778 515770166 /nfs/dbraw/zinc/77/01/66/515770166.db2.gz AWKLXBXGFCNSJU-MAUKXSAKSA-N 2 0 357.458 2.739 20 5 FFBDRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000567617657 518616032 /nfs/dbraw/zinc/61/60/32/518616032.db2.gz QHDBFOJAQKXFFV-UHFFFAOYSA-N 2 0 373.400 2.808 20 5 FFBDRP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000602878504 519944824 /nfs/dbraw/zinc/94/48/24/519944824.db2.gz XOYFIRWYOCUOJH-OAHLLOKOSA-N 2 0 360.458 2.648 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595013154 520256941 /nfs/dbraw/zinc/25/69/41/520256941.db2.gz QUPDQWXZKWBMGD-HZPDHXFCSA-N 2 0 364.490 2.528 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000595023345 520260337 /nfs/dbraw/zinc/26/03/37/520260337.db2.gz VZVWJHHNSDJOPR-KKXDTOCCSA-N 2 0 363.458 2.632 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901510 520808773 /nfs/dbraw/zinc/80/87/73/520808773.db2.gz XRLDAXUXZCMLIQ-INIZCTEOSA-N 2 0 360.458 2.553 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1CN1CC[C@H](C[NH+]3CCCCC3)C1)OCCO2 ZINC000611274028 521073596 /nfs/dbraw/zinc/07/35/96/521073596.db2.gz HNQGCMMYADSHOX-OAHLLOKOSA-N 2 0 361.442 2.674 20 5 FFBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311580632 970060535 /nfs/dbraw/zinc/06/05/35/970060535.db2.gz CPVXRIBCPNKFHJ-PXNSSMCTSA-N 2 0 355.438 2.740 20 5 FFBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311580628 970060823 /nfs/dbraw/zinc/06/08/23/970060823.db2.gz CPVXRIBCPNKFHJ-FXAWDEMLSA-N 2 0 355.438 2.740 20 5 FFBDRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000859215701 1008488822 /nfs/dbraw/zinc/48/88/22/1008488822.db2.gz PDADXGNYTPKGOC-LJQANCHMSA-N 2 0 373.453 2.528 20 5 FFBDRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173006583 1012173865 /nfs/dbraw/zinc/17/38/65/1012173865.db2.gz XAXIIKCHVBNXJA-WCQYABFASA-N 2 0 354.401 2.701 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931308270 1020414174 /nfs/dbraw/zinc/41/41/74/1020414174.db2.gz SEVKWLDOVJRSBW-KDURUIRLSA-N 2 0 360.458 2.505 20 5 FFBDRP CC[NH+](CC)CC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749953375 1021162632 /nfs/dbraw/zinc/16/26/32/1021162632.db2.gz DGNLCQLZSFCHCN-UHFFFAOYSA-N 2 0 360.462 2.659 20 5 FFBDRP C[NH+]1CCC(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)(c2ccccc2)CC1 ZINC001120580522 1023370193 /nfs/dbraw/zinc/37/01/93/1023370193.db2.gz BREKDDMTPCBINP-FQEVSTJZSA-N 2 0 369.465 2.881 20 5 FFBDRP C[NH+]1CCC(N(c2ccc3ccc([N+](=O)[O-])cc3n2)C2CC[NH2+]CC2)CC1 ZINC001158575038 1027063299 /nfs/dbraw/zinc/06/32/99/1027063299.db2.gz HGBPAQYEESCNPL-UHFFFAOYSA-N 2 0 369.469 2.796 20 5 FFBDRP C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001162778214 1028654203 /nfs/dbraw/zinc/65/42/03/1028654203.db2.gz ZNLFTJWTLLWYJN-ZDUSSCGKSA-N 2 0 369.425 2.894 20 5 FFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841031911 1029989623 /nfs/dbraw/zinc/98/96/23/1029989623.db2.gz BHJGUKQNNDLGDM-AWEZNQCLSA-N 2 0 356.426 2.603 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@@H]3CC[C@H](C)C[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC001246111250 1039245614 /nfs/dbraw/zinc/24/56/14/1039245614.db2.gz IPBGZKHFIYZNTA-HOCLYGCPSA-N 2 0 362.474 2.550 20 5 FFBDRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246122591 1039248773 /nfs/dbraw/zinc/24/87/73/1039248773.db2.gz XPLJIXAPKGVFSP-CHWSQXEVSA-N 2 0 368.428 2.677 20 5 FFBDRP COc1cc(N2CCC([N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001247014133 1039581712 /nfs/dbraw/zinc/58/17/12/1039581712.db2.gz JDSWKEOCZCLOTO-MAUKXSAKSA-N 2 0 374.485 2.646 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001254560097 1040798037 /nfs/dbraw/zinc/79/80/37/1040798037.db2.gz PBJVKMDNROPFSI-QGZVFWFLSA-N 2 0 350.507 2.731 20 5 FFBDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001308193963 1052429875 /nfs/dbraw/zinc/42/98/75/1052429875.db2.gz AANAOEAJVSBORO-UHFFFAOYSA-N 2 0 372.469 2.970 20 5 FFBDRP C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000279134979 256385574 /nfs/dbraw/zinc/38/55/74/256385574.db2.gz RHIIAZJICQPVQU-DNVCBOLYSA-N 2 0 360.502 2.790 20 5 FFBDRP C[NH+](C)CCCOc1cnccc1CNCc1csc([N+](=O)[O-])c1 ZINC000288499026 257196987 /nfs/dbraw/zinc/19/69/87/257196987.db2.gz HVKZTMGBHNNOLE-UHFFFAOYSA-N 2 0 350.444 2.672 20 5 FFBDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000371294773 512312320 /nfs/dbraw/zinc/31/23/20/512312320.db2.gz MZJTZDINJUBACJ-XOKHGSTOSA-N 2 0 353.850 2.932 20 5 FFBDRP CC(C)[NH+]1CCC(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000269693242 510516010 /nfs/dbraw/zinc/51/60/10/510516010.db2.gz WPOCLRUDNUHMEU-UHFFFAOYSA-N 2 0 360.502 2.628 20 5 FFBDRP C[NH+]1CCC2(CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CC1 ZINC000374075380 512650612 /nfs/dbraw/zinc/65/06/12/512650612.db2.gz SPRGXTVPNYETQW-UHFFFAOYSA-N 2 0 371.441 2.953 20 5 FFBDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000442869119 513800238 /nfs/dbraw/zinc/80/02/38/513800238.db2.gz AORYXDQUGDTTNF-GOSISDBHSA-N 2 0 360.502 2.933 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332990 514097893 /nfs/dbraw/zinc/09/78/93/514097893.db2.gz DUKHWMRJKNORDW-JKSUJKDBSA-N 2 0 360.458 2.553 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000449232997 514124982 /nfs/dbraw/zinc/12/49/82/514124982.db2.gz JXTUZQNEBJLXNN-OXQOHEQNSA-N 2 0 369.465 2.882 20 5 FFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433166937 514404227 /nfs/dbraw/zinc/40/42/27/514404227.db2.gz LVXNKAZADVCMPV-BEFAXECRSA-N 2 0 360.502 2.933 20 5 FFBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415044049 514414481 /nfs/dbraw/zinc/41/44/81/514414481.db2.gz ADCLVIBZQRTXLY-IPJUCJBFSA-N 2 0 360.502 2.722 20 5 FFBDRP COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000490097714 515103461 /nfs/dbraw/zinc/10/34/61/515103461.db2.gz BCPNMZWACXILQC-UHFFFAOYSA-N 2 0 363.458 2.680 20 5 FFBDRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467839941 515143045 /nfs/dbraw/zinc/14/30/45/515143045.db2.gz FXPOGFMFDOTFOF-KRWDZBQOSA-N 2 0 369.469 2.853 20 5 FFBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CC[NH+](CCO)CC1 ZINC000504921593 515409655 /nfs/dbraw/zinc/40/96/55/515409655.db2.gz UPEYSTBOQMWQPE-INIZCTEOSA-N 2 0 367.515 2.759 20 5 FFBDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000548761168 517195933 /nfs/dbraw/zinc/19/59/33/517195933.db2.gz LACALNCSLNLMCC-HZPDHXFCSA-N 2 0 362.474 2.881 20 5 FFBDRP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000594976290 520237572 /nfs/dbraw/zinc/23/75/72/520237572.db2.gz YTJAYEQWZNZNKU-MNKBLEIRSA-N 2 0 367.449 2.964 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493949 520415885 /nfs/dbraw/zinc/41/58/85/520415885.db2.gz WWLSEFSGXPFWDB-SJORKVTESA-N 2 0 374.485 2.943 20 5 FFBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492577 520416139 /nfs/dbraw/zinc/41/61/39/520416139.db2.gz AXYQFCXKWFQABD-BZUAXINKSA-N 2 0 360.458 2.633 20 5 FFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609875965 520465935 /nfs/dbraw/zinc/46/59/35/520465935.db2.gz KRKSGNJSFYGQDE-UHFFFAOYSA-N 2 0 370.881 2.594 20 5 FFBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900243 520804580 /nfs/dbraw/zinc/80/45/80/520804580.db2.gz BYWQFHGDNHUXNU-MRXNPFEDSA-N 2 0 360.458 2.553 20 5 FFBDRP O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](C[NH+]3CCCCC3)C1)OCCO2 ZINC000611274026 521073879 /nfs/dbraw/zinc/07/38/79/521073879.db2.gz HNQGCMMYADSHOX-HNNXBMFYSA-N 2 0 361.442 2.674 20 5 FFBDRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000596651246 521191042 /nfs/dbraw/zinc/19/10/42/521191042.db2.gz DAKMIYBOVOSXHH-HNNXBMFYSA-N 2 0 362.474 2.544 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000872021932 731721200 /nfs/dbraw/zinc/72/12/00/731721200.db2.gz GJQUZHQVAIFIFJ-HNNXBMFYSA-N 2 0 366.531 2.995 20 5 FFBDRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872023349 731721272 /nfs/dbraw/zinc/72/12/72/731721272.db2.gz RBNZDLKBYWEBHX-HNNXBMFYSA-N 2 0 352.454 2.802 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872031883 731722496 /nfs/dbraw/zinc/72/24/96/731722496.db2.gz NMIACWCFMDJAGI-HUUCEWRRSA-N 2 0 352.454 2.658 20 5 FFBDRP COc1ccc(C[NH2+]C2CC([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000906511224 980674087 /nfs/dbraw/zinc/67/40/87/980674087.db2.gz ZHUJXHQUZUTLCE-UHFFFAOYSA-N 2 0 357.410 2.762 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000886869824 1008908032 /nfs/dbraw/zinc/90/80/32/1008908032.db2.gz JEAVTNXEXBCZTR-IBGZPJMESA-N 2 0 360.458 2.697 20 5 FFBDRP C[C@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1n1ccnc1 ZINC000121643761 1011065649 /nfs/dbraw/zinc/06/56/49/1011065649.db2.gz DWCHIVFCZPOTDP-YOEHRIQHSA-N 2 0 367.413 2.590 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1F ZINC001173180578 1012323782 /nfs/dbraw/zinc/32/37/82/1012323782.db2.gz WWJZTVNGWUVQGB-FQUUOJAGSA-N 2 0 351.422 2.888 20 5 FFBDRP COc1cc(N2CCC([NH2+]C[C@@H]3CCC[NH2+][C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001246107689 1039245348 /nfs/dbraw/zinc/24/53/48/1039245348.db2.gz GQEOLUWCHZIXPY-GJZGRUSLSA-N 2 0 362.474 2.550 20 5 FFBDRP [NH3+]CC1(F)CC[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001246621113 1039418457 /nfs/dbraw/zinc/41/84/57/1039418457.db2.gz STQVRCKBVGKDEY-UHFFFAOYSA-N 2 0 372.391 2.605 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3CN(Cc4cccnc4)C[C@H]3C1)C2 ZINC001254599386 1040830574 /nfs/dbraw/zinc/83/05/74/1040830574.db2.gz YNFPGGMGPPABAK-ZVDOUQERSA-N 2 0 364.449 2.521 20 5 FFBDRP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC001327090260 1047185844 /nfs/dbraw/zinc/18/58/44/1047185844.db2.gz RWAANMYUPCXQRU-OAHLLOKOSA-N 2 0 360.458 2.696 20 5 FFBDRP CN1CCC[C@H]1C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308888403 1052513472 /nfs/dbraw/zinc/51/34/72/1052513472.db2.gz PCNIRUPCMBWCCC-FQEVSTJZSA-N 2 0 360.502 2.533 20 5 FFBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC001352759992 1055771469 /nfs/dbraw/zinc/77/14/69/1055771469.db2.gz IDWDROPODDXYGD-HRCADAONSA-N 2 0 357.458 2.873 20 5 FFBDRP CN(C)C1(C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001474587356 1065557780 /nfs/dbraw/zinc/55/77/80/1065557780.db2.gz STMWXLZKYPVTBX-UHFFFAOYSA-N 2 0 360.502 2.533 20 5 FFBDRP Cc1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302865892 258113018 /nfs/dbraw/zinc/11/30/18/258113018.db2.gz UQBVVMTXNVNJIG-GASCZTMLSA-N 2 0 358.442 2.997 20 5 FFBDRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245711221 510101143 /nfs/dbraw/zinc/10/11/43/510101143.db2.gz STPCRHRMIOFILM-WMLDXEAASA-N 2 0 357.414 2.703 20 5 FFBDRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430935360 513785340 /nfs/dbraw/zinc/78/53/40/513785340.db2.gz PSFOOMAPZWFJCE-SNVBAGLBSA-N 2 0 359.373 2.764 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345402 514103925 /nfs/dbraw/zinc/10/39/25/514103925.db2.gz WDQMBNHCFKJTJN-QGZVFWFLSA-N 2 0 360.458 2.696 20 5 FFBDRP COCC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414977991 514384182 /nfs/dbraw/zinc/38/41/82/514384182.db2.gz RWFNPGIGFPKMQE-FUHWJXTLSA-N 2 0 361.486 2.912 20 5 FFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000564718953 518580359 /nfs/dbraw/zinc/58/03/59/518580359.db2.gz UJBDMZMDCLXXSX-LGMDPLHJSA-N 2 0 374.485 2.580 20 5 FFBDRP C[NH+](C)CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000591742773 520019233 /nfs/dbraw/zinc/01/92/33/520019233.db2.gz DTIDRCMANPDTIC-MRXNPFEDSA-N 2 0 350.463 2.879 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000595007482 520254093 /nfs/dbraw/zinc/25/40/93/520254093.db2.gz OEVJQLGTRDBTIL-YJBOKZPZSA-N 2 0 364.490 2.526 20 5 FFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc3c2CC[NH2+]C3)n1 ZINC000602023611 521084528 /nfs/dbraw/zinc/08/45/28/521084528.db2.gz YQMCOEREJPEUQM-ROUUACIJSA-N 2 0 355.442 2.711 20 5 FFBDRP CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596912974 521375365 /nfs/dbraw/zinc/37/53/65/521375365.db2.gz PZUGLSTWYSSLCS-AWEZNQCLSA-N 2 0 365.478 2.551 20 5 FFBDRP C[NH+](C)CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC1 ZINC000602615478 521437376 /nfs/dbraw/zinc/43/73/76/521437376.db2.gz HYNDAJXXHWTXKK-UHFFFAOYSA-N 2 0 361.490 2.670 20 5 FFBDRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000876947505 1014429784 /nfs/dbraw/zinc/42/97/84/1014429784.db2.gz BGULNMSOLLTMCM-UHFFFAOYSA-N 2 0 361.490 2.811 20 5 FFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001169021547 1000017579 /nfs/dbraw/zinc/01/75/79/1000017579.db2.gz LJWAMRQGRKRDRJ-MJGOQNOKSA-N 2 0 358.486 2.815 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866260620 1010964572 /nfs/dbraw/zinc/96/45/72/1010964572.db2.gz WCSFAAGORKIDIJ-HZPDHXFCSA-N 2 0 366.481 2.528 20 5 FFBDRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173011689 1012182009 /nfs/dbraw/zinc/18/20/09/1012182009.db2.gz JNEJZLQUFMAQKP-CYBMUJFWSA-N 2 0 368.428 2.916 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1N1CC[NH2+]CC1 ZINC001246318480 1039312918 /nfs/dbraw/zinc/31/29/18/1039312918.db2.gz JYAHYVVQLVJXLI-INIZCTEOSA-N 2 0 354.454 2.725 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001246352353 1039322023 /nfs/dbraw/zinc/32/20/23/1039322023.db2.gz XGLGHQLZDBFBPC-INIZCTEOSA-N 2 0 354.454 2.725 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001254580978 1040815021 /nfs/dbraw/zinc/81/50/21/1040815021.db2.gz JCMFRVYOJUFKDH-HXUWFJFHSA-N 2 0 373.497 2.790 20 5 FFBDRP CCN1CC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)C1 ZINC001462222971 1061542575 /nfs/dbraw/zinc/54/25/75/1061542575.db2.gz DIRYALPYFKGWKR-SFHVURJKSA-N 2 0 374.529 2.875 20 5 FFBDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001560264746 1076257748 /nfs/dbraw/zinc/25/77/48/1076257748.db2.gz MSDBGJHTTQSGHC-UHFFFAOYSA-N 2 0 372.469 2.972 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000267398033 251345730 /nfs/dbraw/zinc/34/57/30/251345730.db2.gz FHHSJYSHPAQTLG-UONOGXRCSA-N 2 0 357.414 2.833 20 5 FFBDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072823348 507858094 /nfs/dbraw/zinc/85/80/94/507858094.db2.gz OGKRAVCVCIMUAU-INIZCTEOSA-N 2 0 362.474 2.896 20 5 FFBDRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000123580586 508709973 /nfs/dbraw/zinc/70/99/73/508709973.db2.gz JVRUJMYMEMVPMU-UHFFFAOYSA-N 2 0 362.474 2.977 20 5 FFBDRP O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178955486 509201519 /nfs/dbraw/zinc/20/15/19/509201519.db2.gz ZDFJZOQAMKWPIA-UHFFFAOYSA-N 2 0 372.391 2.735 20 5 FFBDRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000192762226 509633475 /nfs/dbraw/zinc/63/34/75/509633475.db2.gz GFZSFZBKASIVKC-UHFFFAOYSA-N 2 0 360.502 2.975 20 5 FFBDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000170689572 509722751 /nfs/dbraw/zinc/72/27/51/509722751.db2.gz FEFIBMJWPXRDFQ-CALCHBBNSA-N 2 0 361.486 2.959 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261634039 510008711 /nfs/dbraw/zinc/00/87/11/510008711.db2.gz FCILXLGQGXERAA-OGWOLHLISA-N 2 0 368.437 2.596 20 5 FFBDRP Cn1ccnc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000365627904 511568979 /nfs/dbraw/zinc/56/89/79/511568979.db2.gz KQGFYKQEWLSXPW-AWEZNQCLSA-N 2 0 357.414 2.537 20 5 FFBDRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296745670 511880609 /nfs/dbraw/zinc/88/06/09/511880609.db2.gz PFYWMXXDMOESPP-KXBFYZLASA-N 2 0 370.453 2.665 20 5 FFBDRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000442926738 513817018 /nfs/dbraw/zinc/81/70/18/513817018.db2.gz ZYUMTMIUVGOBCH-LBPRGKRZSA-N 2 0 373.400 2.808 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332988 514098607 /nfs/dbraw/zinc/09/86/07/514098607.db2.gz DUKHWMRJKNORDW-HZPDHXFCSA-N 2 0 360.458 2.553 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420337901 514100089 /nfs/dbraw/zinc/10/00/89/514100089.db2.gz KGIVPCZRRJQGCY-CVEARBPZSA-N 2 0 360.458 2.553 20 5 FFBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420340237 514101404 /nfs/dbraw/zinc/10/14/04/514101404.db2.gz TWLPMSRSQQGOEZ-MJGOQNOKSA-N 2 0 363.458 2.710 20 5 FFBDRP COCC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414977993 514384883 /nfs/dbraw/zinc/38/48/83/514384883.db2.gz RWFNPGIGFPKMQE-WMZOPIPTSA-N 2 0 361.486 2.912 20 5 FFBDRP C[C@H]1CC2(C[N@@H+]1Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC[NH2+]CC2 ZINC000424302111 514452389 /nfs/dbraw/zinc/45/23/89/514452389.db2.gz YYWWNTYHXZYKHM-ZDUSSCGKSA-N 2 0 357.414 2.609 20 5 FFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415132447 514459045 /nfs/dbraw/zinc/45/90/45/514459045.db2.gz UGJKMBHYPBPFJM-HKUYNNGSSA-N 2 0 363.458 2.712 20 5 FFBDRP CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H](C[NH3+])C1 ZINC000578443103 518213998 /nfs/dbraw/zinc/21/39/98/518213998.db2.gz VVABVQUQFDGWNO-ZDUSSCGKSA-N 2 0 364.833 2.583 20 5 FFBDRP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595066140 520276241 /nfs/dbraw/zinc/27/62/41/520276241.db2.gz CQKWALIWZIVBQI-PXNSSMCTSA-N 2 0 367.449 2.939 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592478843 520407360 /nfs/dbraw/zinc/40/73/60/520407360.db2.gz KBSYNKOONYQHQZ-NVXWUHKLSA-N 2 0 360.458 2.696 20 5 FFBDRP C[NH+]1CCN(C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000611408973 521141059 /nfs/dbraw/zinc/14/10/59/521141059.db2.gz JTTLBMGMJUTADF-OAQYLSRUSA-N 2 0 368.481 2.716 20 5 FFBDRP C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593735706 521181908 /nfs/dbraw/zinc/18/19/08/521181908.db2.gz ZHELPGDCRUUCHJ-FZMZJTMJSA-N 2 0 354.838 2.636 20 5 FFBDRP COc1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000865766066 730994962 /nfs/dbraw/zinc/99/49/62/730994962.db2.gz ZSVZULYUMZDPFJ-UHFFFAOYSA-N 2 0 351.447 2.965 20 5 FFBDRP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925764076 738528566 /nfs/dbraw/zinc/52/85/66/738528566.db2.gz VRDAQQJORXTZFK-MPKXVKKWSA-N 2 0 354.248 2.835 20 5 FFBDRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923501770 738292753 /nfs/dbraw/zinc/29/27/53/738292753.db2.gz VHNXNQQJDDPSSP-WDEREUQCSA-N 2 0 359.373 2.622 20 5 FFBDRP COc1cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000873221144 1013431936 /nfs/dbraw/zinc/43/19/36/1013431936.db2.gz MOZPGYTVOQTBFA-LLVKDONJSA-N 2 0 373.400 2.725 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873292765 1013465174 /nfs/dbraw/zinc/46/51/74/1013465174.db2.gz VWYVCEUXWQXNII-MSOLQXFVSA-N 2 0 359.470 2.664 20 5 FFBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311580635 970061169 /nfs/dbraw/zinc/06/11/69/970061169.db2.gz CPVXRIBCPNKFHJ-XLIONFOSSA-N 2 0 355.438 2.740 20 5 FFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001199257772 1004887938 /nfs/dbraw/zinc/88/79/38/1004887938.db2.gz HTUKHOZRJXEHLU-INIZCTEOSA-N 2 0 372.469 2.970 20 5 FFBDRP CC(C)[N@H+](C)CC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853496304 1006413455 /nfs/dbraw/zinc/41/34/55/1006413455.db2.gz DKIYBHAMHZSNRB-UHFFFAOYSA-N 2 0 372.473 2.863 20 5 FFBDRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC[NH2+]CC2 ZINC000818340178 1007906229 /nfs/dbraw/zinc/90/62/29/1007906229.db2.gz JKRPBFBFBALMFX-CYBMUJFWSA-N 2 0 364.421 2.527 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@@H+]3CCC[C@@H]4COC[C@@H]43)CC2)cc1 ZINC001182272971 1010468494 /nfs/dbraw/zinc/46/84/94/1010468494.db2.gz YLZKUJYSNPCTJR-CTNGQTDRSA-N 2 0 373.497 2.960 20 5 FFBDRP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000866226181 1010955702 /nfs/dbraw/zinc/95/57/02/1010955702.db2.gz HCLLTTOKXJVHMZ-BEFAXECRSA-N 2 0 366.481 2.527 20 5 FFBDRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000925808024 1017854096 /nfs/dbraw/zinc/85/40/96/1017854096.db2.gz JLCVSJCCHKGKOA-INIZCTEOSA-N 2 0 354.454 2.851 20 5 FFBDRP C[NH+](C)Cc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)cc1 ZINC001249341616 1040692473 /nfs/dbraw/zinc/69/24/73/1040692473.db2.gz BYKSLQCJCDAIDB-MRXNPFEDSA-N 2 0 367.409 2.949 20 5 FFBDRP [NH3+][C@H]1CC[C@H]([N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CCOCC2)CC1 ZINC001254587634 1040818156 /nfs/dbraw/zinc/81/81/56/1040818156.db2.gz RQMLCTNDFGAUGU-ZWOKBUDYSA-N 2 0 359.470 2.813 20 5 FFBDRP CCC[NH+](CCC)CCN1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602501 1040832404 /nfs/dbraw/zinc/83/24/04/1040832404.db2.gz FZURHIMKULZOGR-NRFANRHFSA-N 2 0 374.529 2.802 20 5 FFBDRP C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000279134982 256385594 /nfs/dbraw/zinc/38/55/94/256385594.db2.gz RHIIAZJICQPVQU-HNAYVOBHSA-N 2 0 360.502 2.790 20 5 FFBDRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173326282 509534489 /nfs/dbraw/zinc/53/44/89/509534489.db2.gz UTDCLJFZDLJGFK-OAHLLOKOSA-N 2 0 355.442 2.592 20 5 FFBDRP C[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000180465095 509937146 /nfs/dbraw/zinc/93/71/46/509937146.db2.gz HCRZXFQSOQIXQZ-UTKZUKDTSA-N 2 0 368.481 2.910 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261814840 510075559 /nfs/dbraw/zinc/07/55/59/510075559.db2.gz RUWRVMIHQOHPIG-AEFFLSMTSA-N 2 0 368.437 2.516 20 5 FFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000271454075 511210603 /nfs/dbraw/zinc/21/06/03/511210603.db2.gz FAVGCHHYVXISQP-TYPHKJRUSA-N 2 0 373.497 2.883 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000274875402 511972789 /nfs/dbraw/zinc/97/27/89/511972789.db2.gz XIUYKPQCHWLSHB-DLBZAZTESA-N 2 0 365.474 2.700 20 5 FFBDRP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422781923 513930337 /nfs/dbraw/zinc/93/03/37/513930337.db2.gz FPMKTPZPTLEKLP-YLJYHZDGSA-N 2 0 353.422 2.983 20 5 FFBDRP O=[N+]([O-])c1cccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423010738 514007545 /nfs/dbraw/zinc/00/75/45/514007545.db2.gz HKLJAKDUIYNKCY-ICSRJNTNSA-N 2 0 353.422 2.983 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340627 514101652 /nfs/dbraw/zinc/10/16/52/514101652.db2.gz MXOBJYSKCYLYNQ-HOTGVXAUSA-N 2 0 360.458 2.553 20 5 FFBDRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414898587 514346167 /nfs/dbraw/zinc/34/61/67/514346167.db2.gz GKOYIWHPGLQGDY-UHFFFAOYSA-N 2 0 373.400 2.727 20 5 FFBDRP CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433136481 514395492 /nfs/dbraw/zinc/39/54/92/514395492.db2.gz LXOQCADGAZZERB-UHFFFAOYSA-N 2 0 362.474 2.535 20 5 FFBDRP C[C@H]1CC2(C[N@@H+]1Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC[NH2+]CC2 ZINC000424283769 514447237 /nfs/dbraw/zinc/44/72/37/514447237.db2.gz BZQZSBFUZHLKIU-ZDUSSCGKSA-N 2 0 357.414 2.609 20 5 FFBDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000563900297 518221012 /nfs/dbraw/zinc/22/10/12/518221012.db2.gz DYHVSBHHJUVCTA-OAHLLOKOSA-N 2 0 357.458 2.815 20 5 FFBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000579125616 518534987 /nfs/dbraw/zinc/53/49/87/518534987.db2.gz DVNMLSOQEKCZNZ-USXIJHARSA-N 2 0 356.426 2.852 20 5 FFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000564718947 518580678 /nfs/dbraw/zinc/58/06/78/518580678.db2.gz UJBDMZMDCLXXSX-GHRIWEEISA-N 2 0 374.485 2.580 20 5 FFBDRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589495036 519018461 /nfs/dbraw/zinc/01/84/61/519018461.db2.gz OPCICRGPCZZXRS-UHFFFAOYSA-N 2 0 363.458 2.935 20 5 FFBDRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c([N+](=O)[O-])cc1OC ZINC000594735193 520123359 /nfs/dbraw/zinc/12/33/59/520123359.db2.gz HNMMGMCEOIJCOY-HNNXBMFYSA-N 2 0 363.458 2.824 20 5 FFBDRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000592433820 520388975 /nfs/dbraw/zinc/38/89/75/520388975.db2.gz YBIYTEATLBCQHN-LSDHHAIUSA-N 2 0 363.458 2.824 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592494028 520415354 /nfs/dbraw/zinc/41/53/54/520415354.db2.gz ZMKSBISBKOTHSI-JKSUJKDBSA-N 2 0 360.458 2.553 20 5 FFBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900784 520804520 /nfs/dbraw/zinc/80/45/20/520804520.db2.gz LDZAMUXLZMYIFT-ZBFHGGJFSA-N 2 0 360.458 2.633 20 5 FFBDRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000841104797 747270895 /nfs/dbraw/zinc/27/08/95/747270895.db2.gz SQBLGKCSZNKNSC-WMLDXEAASA-N 2 0 353.850 2.967 20 5 FFBDRP [NH3+]CCCP(CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006505 1000014989 /nfs/dbraw/zinc/01/49/89/1000014989.db2.gz YFEONQSNIPDDSP-FEVSBGBPSA-N 2 0 351.431 2.568 20 5 FFBDRP [NH3+]CCCP(CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006508 1000015049 /nfs/dbraw/zinc/01/50/49/1000015049.db2.gz YFEONQSNIPDDSP-OGOSSBIRSA-N 2 0 351.431 2.568 20 5 FFBDRP [NH3+]CCCP(CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006506 1000015051 /nfs/dbraw/zinc/01/50/51/1000015051.db2.gz YFEONQSNIPDDSP-GZGKXBPWSA-N 2 0 351.431 2.568 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]C3CC(CCO)C3)CC2)cc1 ZINC001184239819 1002535371 /nfs/dbraw/zinc/53/53/71/1002535371.db2.gz QVLORCJRKGCJFJ-UHFFFAOYSA-N 2 0 361.486 2.600 20 5 FFBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000819016290 1008024401 /nfs/dbraw/zinc/02/44/01/1008024401.db2.gz WUNFZMFPRUVYMT-GHTZIAJQSA-N 2 0 369.465 2.782 20 5 FFBDRP C[NH+](C)C[C@@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC000866012383 1010906834 /nfs/dbraw/zinc/90/68/34/1010906834.db2.gz ZSBYSYOBWWSDFB-CHWSQXEVSA-N 2 0 374.407 2.789 20 5 FFBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000866260785 1010965089 /nfs/dbraw/zinc/96/50/89/1010965089.db2.gz WZTOISYIFGKKLN-HNNXBMFYSA-N 2 0 366.481 2.528 20 5 FFBDRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011170 1012181763 /nfs/dbraw/zinc/18/17/63/1012181763.db2.gz SECLMNOHGAPOQF-AWEZNQCLSA-N 2 0 368.428 2.916 20 5 FFBDRP C[C@H]1CC[C@@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[NH2+]1 ZINC001246098880 1039244046 /nfs/dbraw/zinc/24/40/46/1039244046.db2.gz QCIDIIIZEWBQAX-QWHCGFSZSA-N 2 0 368.428 2.820 20 5 FFBDRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246122592 1039248680 /nfs/dbraw/zinc/24/86/80/1039248680.db2.gz XPLJIXAPKGVFSP-OLZOCXBDSA-N 2 0 368.428 2.677 20 5 FFBDRP Nc1c2cccnc2c2ncccc2c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210265403 1039456842 /nfs/dbraw/zinc/45/68/42/1039456842.db2.gz CRRGHBXBCUOLQQ-UHFFFAOYSA-N 2 0 371.448 2.913 20 5 FFBDRP Cc1cc(N2CCN([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)nc(C)n1 ZINC001254562134 1040800319 /nfs/dbraw/zinc/80/03/19/1040800319.db2.gz JUNFOFRCOHXTJF-OAHLLOKOSA-N 2 0 355.442 2.755 20 5 FFBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC001335253205 1053269851 /nfs/dbraw/zinc/26/98/51/1053269851.db2.gz MAAXDKXLJBISMZ-ARFHVFGLSA-N 2 0 357.458 2.873 20 5 FFBDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000849109357 1056765450 /nfs/dbraw/zinc/76/54/50/1056765450.db2.gz KTHJIXKBLQEYIB-CYBMUJFWSA-N 2 0 373.379 2.712 20 5 FFBDRP COc1ccc(CNCc2ccncc2OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000288712966 257219941 /nfs/dbraw/zinc/21/99/41/257219941.db2.gz ZJVRWGUCSQFYDY-UHFFFAOYSA-N 2 0 374.441 2.619 20 5 FFBDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000105476365 508373312 /nfs/dbraw/zinc/37/33/12/508373312.db2.gz HTTMJGSDUXCERL-UHFFFAOYSA-N 2 0 372.469 2.972 20 5 FFBDRP C[NH+](C)CC[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000116396834 508507095 /nfs/dbraw/zinc/50/70/95/508507095.db2.gz FRIIVFNHBFOMMO-SJORKVTESA-N 2 0 362.474 2.656 20 5 FFBDRP CCOc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000154133649 508723332 /nfs/dbraw/zinc/72/33/32/508723332.db2.gz CQMFNIBIPFITIH-OAHLLOKOSA-N 2 0 364.490 2.670 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000121124080 509133263 /nfs/dbraw/zinc/13/32/63/509133263.db2.gz CMUHXOSNRLJQAL-XLIONFOSSA-N 2 0 374.529 2.779 20 5 FFBDRP COc1cc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000192924909 509701186 /nfs/dbraw/zinc/70/11/86/509701186.db2.gz WKWKMPVYFMUION-MRXNPFEDSA-N 2 0 371.437 2.921 20 5 FFBDRP COc1cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000192924898 509701767 /nfs/dbraw/zinc/70/17/67/509701767.db2.gz WKWKMPVYFMUION-INIZCTEOSA-N 2 0 371.437 2.921 20 5 FFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186586913 509787595 /nfs/dbraw/zinc/78/75/95/509787595.db2.gz KHGUZKPBQCCCEC-QWFCFKBJSA-N 2 0 374.529 2.922 20 5 FFBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180497704 509955777 /nfs/dbraw/zinc/95/57/77/509955777.db2.gz TZPSKPPEJSMHOR-LAUBAEHRSA-N 2 0 368.481 2.910 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000271121906 511089216 /nfs/dbraw/zinc/08/92/16/511089216.db2.gz JQQCFQPGGNMJJK-DOTOQJQBSA-N 2 0 365.474 2.881 20 5 FFBDRP Cn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421368504 513237975 /nfs/dbraw/zinc/23/79/75/513237975.db2.gz GGTMRCONTHABPW-UHFFFAOYSA-N 2 0 357.458 2.958 20 5 FFBDRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435369857 513567652 /nfs/dbraw/zinc/56/76/52/513567652.db2.gz NEJRZHSRACFVMI-NSHDSACASA-N 2 0 373.400 2.807 20 5 FFBDRP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000423422508 514137515 /nfs/dbraw/zinc/13/75/15/514137515.db2.gz LGLWZWGTDAHOKZ-MPGHIAIKSA-N 2 0 357.458 2.772 20 5 FFBDRP CC[NH+]1CCC(N2CCCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000420634584 514210195 /nfs/dbraw/zinc/21/01/95/514210195.db2.gz ZYAFCEQGTDPINO-UHFFFAOYSA-N 2 0 367.881 2.640 20 5 FFBDRP Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000432865826 514304831 /nfs/dbraw/zinc/30/48/31/514304831.db2.gz MMRAOCFFWOOVMD-OAHLLOKOSA-N 2 0 358.442 2.786 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299776 514449414 /nfs/dbraw/zinc/44/94/14/514449414.db2.gz VSWOODOZFSMWRP-OAHLLOKOSA-N 2 0 360.458 2.696 20 5 FFBDRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000488433499 516224201 /nfs/dbraw/zinc/22/42/01/516224201.db2.gz HVTMJBLQXKSYKH-UHFFFAOYSA-N 2 0 362.474 2.977 20 5 FFBDRP O=[N+]([O-])c1cccc(F)c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000561155957 516413668 /nfs/dbraw/zinc/41/36/68/516413668.db2.gz JNELAKFBJVIILR-UHFFFAOYSA-N 2 0 359.405 2.753 20 5 FFBDRP CC[N@H+](CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)CC(C)C ZINC000540199539 516471038 /nfs/dbraw/zinc/47/10/38/516471038.db2.gz YRNWBNAVONZKPK-UHFFFAOYSA-N 2 0 351.495 2.871 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000578533269 518254703 /nfs/dbraw/zinc/25/47/03/518254703.db2.gz ZIEXNGCDWNZOGV-FRQCXROJSA-N 2 0 374.485 2.544 20 5 FFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000578533270 518254831 /nfs/dbraw/zinc/25/48/31/518254831.db2.gz ZIEXNGCDWNZOGV-TXPKVOOTSA-N 2 0 374.485 2.544 20 5 FFBDRP C[NH+](C)CCc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000569214539 519436882 /nfs/dbraw/zinc/43/68/82/519436882.db2.gz OBYUMNYDGBYZRK-UHFFFAOYSA-N 2 0 370.453 2.817 20 5 FFBDRP COc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])cc1OC ZINC000594736554 520122969 /nfs/dbraw/zinc/12/29/69/520122969.db2.gz RRRXQLUHUIUDBF-HNNXBMFYSA-N 2 0 363.458 2.824 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595013148 520255992 /nfs/dbraw/zinc/25/59/92/520255992.db2.gz QUPDQWXZKWBMGD-CVEARBPZSA-N 2 0 364.490 2.528 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595013157 520256391 /nfs/dbraw/zinc/25/63/91/520256391.db2.gz QUPDQWXZKWBMGD-JKSUJKDBSA-N 2 0 364.490 2.528 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493035 520415739 /nfs/dbraw/zinc/41/57/39/520415739.db2.gz MUNIEVNUEFMLNL-OWCLPIDISA-N 2 0 360.458 2.633 20 5 FFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602513227 521388060 /nfs/dbraw/zinc/38/80/60/521388060.db2.gz AUBRRIIWPDPMGK-ZDUSSCGKSA-N 2 0 374.407 2.729 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872031884 731722601 /nfs/dbraw/zinc/72/26/01/731722601.db2.gz NMIACWCFMDJAGI-LSDHHAIUSA-N 2 0 352.454 2.658 20 5 FFBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811507190 741531455 /nfs/dbraw/zinc/53/14/55/741531455.db2.gz UHUDHXACYKIOJX-UHFFFAOYSA-N 2 0 363.289 2.827 20 5 FFBDRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387118 747822297 /nfs/dbraw/zinc/82/22/97/747822297.db2.gz FEFXJYPLBQTVHU-QWHCGFSZSA-N 2 0 366.849 2.508 20 5 FFBDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877665872 1014668274 /nfs/dbraw/zinc/66/82/74/1014668274.db2.gz MLCJIHVSHAORBM-SVUBNXHSSA-N 2 0 369.469 2.853 20 5 FFBDRP C[C@@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1n1ccnc1 ZINC000121643605 1011065966 /nfs/dbraw/zinc/06/59/66/1011065966.db2.gz DWCHIVFCZPOTDP-PBHICJAKSA-N 2 0 367.413 2.590 20 5 FFBDRP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014926 1012186321 /nfs/dbraw/zinc/18/63/21/1012186321.db2.gz WOZUKYJIEWLORX-PXAZEXFGSA-N 2 0 368.428 2.772 20 5 FFBDRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001220044996 1033957545 /nfs/dbraw/zinc/95/75/45/1033957545.db2.gz HKGIMRPQMOPKBT-NRFANRHFSA-N 2 0 370.456 2.943 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCOC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246633202 1039424823 /nfs/dbraw/zinc/42/48/23/1039424823.db2.gz FBRQXYUKSPNGEI-QUCCMNQESA-N 2 0 359.470 2.544 20 5 FFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001254542886 1040789021 /nfs/dbraw/zinc/78/90/21/1040789021.db2.gz PPUVAKFHEKBVCW-BBRMVZONSA-N 2 0 366.462 2.705 20 5 FFBDRP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254583924 1040817181 /nfs/dbraw/zinc/81/71/81/1040817181.db2.gz OYWSHZSSTPPGEB-IBGZPJMESA-N 2 0 366.465 2.604 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH+]3CC([C@@H]4CCOC4)C3)CC2)cc1 ZINC001308728190 1052491795 /nfs/dbraw/zinc/49/17/95/1052491795.db2.gz DAYGVHGANSCRLC-LJQANCHMSA-N 2 0 373.497 2.818 20 5 FFBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC001335253206 1053270609 /nfs/dbraw/zinc/27/06/09/1053270609.db2.gz MAAXDKXLJBISMZ-HRCADAONSA-N 2 0 357.458 2.873 20 5 FFBDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473810090 1065373106 /nfs/dbraw/zinc/37/31/06/1065373106.db2.gz UIENKVUBWPQYIP-INIZCTEOSA-N 2 0 356.426 2.969 20 5 FFBDRP CO[C@H]1CCC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001474367779 1065504274 /nfs/dbraw/zinc/50/42/74/1065504274.db2.gz OQPGZUQDQRVTME-FQEVSTJZSA-N 2 0 361.486 2.960 20 5 FFBDRP Cc1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302185620 258094087 /nfs/dbraw/zinc/09/40/87/258094087.db2.gz PGMMYRSDXRAROO-INIZCTEOSA-N 2 0 358.442 2.956 20 5 FFBDRP CN1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000283662561 511452751 /nfs/dbraw/zinc/45/27/51/511452751.db2.gz BZZAAGJLLMQGIK-FXAWDEMLSA-N 2 0 368.437 2.958 20 5 FFBDRP COc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000363667455 511693798 /nfs/dbraw/zinc/69/37/98/511693798.db2.gz VYQRGTYGTCVYPB-UHFFFAOYSA-N 2 0 363.458 2.538 20 5 FFBDRP O=C(CC[NH+]1CCC(c2c[nH]cn2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364236140 512036054 /nfs/dbraw/zinc/03/60/54/512036054.db2.gz URYOOGWTZFETKO-UHFFFAOYSA-N 2 0 361.377 2.665 20 5 FFBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420344290 514101866 /nfs/dbraw/zinc/10/18/66/514101866.db2.gz SNZJELLNLMEZPY-JYJNAYRXSA-N 2 0 360.458 2.552 20 5 FFBDRP CCOc1cc(N2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000414759364 514277819 /nfs/dbraw/zinc/27/78/19/514277819.db2.gz WGIKMUUUUNWFFR-CVEARBPZSA-N 2 0 362.474 2.504 20 5 FFBDRP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566229734 519382242 /nfs/dbraw/zinc/38/22/42/519382242.db2.gz MLIHAHPWISUXSB-SJORKVTESA-N 2 0 369.469 2.817 20 5 FFBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492828 520415428 /nfs/dbraw/zinc/41/54/28/520415428.db2.gz DJZLNBOLVZQACJ-PMPSAXMXSA-N 2 0 360.458 2.633 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592494014 520416127 /nfs/dbraw/zinc/41/61/27/520416127.db2.gz ZHJZLYUSVJSRHO-HOTGVXAUSA-N 2 0 360.458 2.635 20 5 FFBDRP [NH3+][C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000602021538 521082991 /nfs/dbraw/zinc/08/29/91/521082991.db2.gz PKGXVTYNMKAKIC-KURKYZTESA-N 2 0 357.458 2.825 20 5 FFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000872021174 731721378 /nfs/dbraw/zinc/72/13/78/731721378.db2.gz NVJYADBRRIXSQP-CQSZACIVSA-N 2 0 366.531 2.993 20 5 FFBDRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000922394542 738136783 /nfs/dbraw/zinc/13/67/83/738136783.db2.gz XBJASLBKKKGERX-SRABZTEZSA-N 2 0 353.488 2.616 20 5 FFBDRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818340938 742265103 /nfs/dbraw/zinc/26/51/03/742265103.db2.gz SSDSKMAZBYPKSC-GFCCVEGCSA-N 2 0 366.849 2.651 20 5 FFBDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000841104796 747270925 /nfs/dbraw/zinc/27/09/25/747270925.db2.gz SQBLGKCSZNKNSC-RHSMWYFYSA-N 2 0 353.850 2.967 20 5 FFBDRP CN(CCc1ccccc1[N+](=O)[O-])C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711779443 964265038 /nfs/dbraw/zinc/26/50/38/964265038.db2.gz NKUAKRMBWSVEAM-OAQYLSRUSA-N 2 0 369.465 2.706 20 5 FFBDRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904411372 980270311 /nfs/dbraw/zinc/27/03/11/980270311.db2.gz UXAMTQGVUXTRKZ-NEPJUHHUSA-N 2 0 373.400 2.664 20 5 FFBDRP O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980416 1016356019 /nfs/dbraw/zinc/35/60/19/1016356019.db2.gz RGGZSHXWKRKERC-RILLWELWSA-N 2 0 356.470 2.509 20 5 FFBDRP [NH3+]CCCCCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000846223883 1000234155 /nfs/dbraw/zinc/23/41/55/1000234155.db2.gz PUEYDRLWHRGLRQ-UHFFFAOYSA-N 2 0 360.462 2.502 20 5 FFBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000866307113 1010973879 /nfs/dbraw/zinc/97/38/79/1010973879.db2.gz QYWXHECUQMJJTC-OMWUSAIZSA-N 2 0 365.449 2.632 20 5 FFBDRP COc1cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903064939 1020659692 /nfs/dbraw/zinc/65/96/92/1020659692.db2.gz CBIGZESDGKLCQW-DNVCBOLYSA-N 2 0 364.490 2.526 20 5 FFBDRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001162465082 1028546665 /nfs/dbraw/zinc/54/66/65/1028546665.db2.gz BUDVTVYCOLIFBD-CABCVRRESA-N 2 0 350.463 2.583 20 5 FFBDRP [NH3+]C[C@@H]1CCCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246583759 1039406839 /nfs/dbraw/zinc/40/68/39/1039406839.db2.gz RWCITXMNXPMZJL-ZDUSSCGKSA-N 2 0 368.428 2.903 20 5 FFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001246940612 1039542251 /nfs/dbraw/zinc/54/22/51/1039542251.db2.gz JGMKRZOSZOGYTL-MCIONIFRSA-N 2 0 351.422 2.605 20 5 FFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](Cc3ccccn3)CC1)C2 ZINC001254584395 1040817120 /nfs/dbraw/zinc/81/71/20/1040817120.db2.gz HRHSBNYBWSYABD-FQEVSTJZSA-N 2 0 366.465 2.959 20 5 FFBDRP CC(C)[N@H+](C)Cc1nn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c1CC[NH2+]C2 ZINC001254598771 1040829882 /nfs/dbraw/zinc/82/98/82/1040829882.db2.gz XIYMGJHEUDEDQK-KRWDZBQOSA-N 2 0 369.469 2.617 20 5 FFBDRP Cc1nccn1-c1cc[nH+]cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001328350425 1048269395 /nfs/dbraw/zinc/26/93/95/1048269395.db2.gz LDCNDRPONHOOHA-UHFFFAOYSA-N 2 0 353.338 2.501 20 5 FFBDRP C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H]1CC[NH3+] ZINC001579441814 1078629768 /nfs/dbraw/zinc/62/97/68/1078629768.db2.gz WQAMVOMXBNJWMA-GHMZBOCLSA-N 2 0 365.821 2.715 20 5 FFBDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081569863 508191583 /nfs/dbraw/zinc/19/15/83/508191583.db2.gz AXRHQBUURLCIJU-INIZCTEOSA-N 2 0 362.474 2.896 20 5 FFBDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081570825 508191703 /nfs/dbraw/zinc/19/17/03/508191703.db2.gz PTCDCWXPRKVSCW-MRXNPFEDSA-N 2 0 362.474 2.896 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000121124388 509133183 /nfs/dbraw/zinc/13/31/83/509133183.db2.gz CMUHXOSNRLJQAL-YLJYHZDGSA-N 2 0 374.529 2.779 20 5 FFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000182979251 509528396 /nfs/dbraw/zinc/52/83/96/509528396.db2.gz CDPCQZVKORMMGB-UHFFFAOYSA-N 2 0 361.486 2.962 20 5 FFBDRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173377989 509561479 /nfs/dbraw/zinc/56/14/79/509561479.db2.gz GOVCWHQQABPWKV-OAHLLOKOSA-N 2 0 370.453 2.737 20 5 FFBDRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000174773845 510304221 /nfs/dbraw/zinc/30/42/21/510304221.db2.gz OYJZDIHMMSOEPM-WBMJQRKESA-N 2 0 368.865 2.849 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000246619369 510587681 /nfs/dbraw/zinc/58/76/81/510587681.db2.gz DXPAQWSPXZTRNV-YJBOKZPZSA-N 2 0 360.458 2.648 20 5 FFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000274839760 511959648 /nfs/dbraw/zinc/95/96/48/511959648.db2.gz LTVBUGPOCDQLMQ-VQIMIIECSA-N 2 0 365.474 2.700 20 5 FFBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000374426291 512827917 /nfs/dbraw/zinc/82/79/17/512827917.db2.gz DCFVKCCDCGNGLO-BFYDXBDKSA-N 2 0 353.850 2.932 20 5 FFBDRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422921506 513976679 /nfs/dbraw/zinc/97/66/79/513976679.db2.gz QFKOIUOCDFVMST-CABCVRRESA-N 2 0 363.458 2.875 20 5 FFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000449160994 514098156 /nfs/dbraw/zinc/09/81/56/514098156.db2.gz DAERGSDXZAVCST-DYESRHJHSA-N 2 0 369.465 2.752 20 5 FFBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000451992738 514117241 /nfs/dbraw/zinc/11/72/41/514117241.db2.gz UNIZWFDZYKVMKR-UHFFFAOYSA-N 2 0 354.882 2.754 20 5 FFBDRP COc1cc(CNC[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414881307 514337522 /nfs/dbraw/zinc/33/75/22/514337522.db2.gz SDMJKBAQOQSQIV-AWEZNQCLSA-N 2 0 359.426 2.867 20 5 FFBDRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424286662 514446975 /nfs/dbraw/zinc/44/69/75/514446975.db2.gz HQNPXZGEEFMGME-LBPRGKRZSA-N 2 0 366.849 2.651 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299774 514450056 /nfs/dbraw/zinc/45/00/56/514450056.db2.gz VSWOODOZFSMWRP-HNNXBMFYSA-N 2 0 360.458 2.696 20 5 FFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000532204728 516856330 /nfs/dbraw/zinc/85/63/30/516856330.db2.gz RPJOEDGNBAGAEJ-CQSZACIVSA-N 2 0 360.458 2.918 20 5 FFBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000579013504 518480315 /nfs/dbraw/zinc/48/03/15/518480315.db2.gz CQUZTDRSKRPVNX-LJQANCHMSA-N 2 0 356.426 2.868 20 5 FFBDRP Cc1c(NC(=O)CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000581944036 518515115 /nfs/dbraw/zinc/51/51/15/518515115.db2.gz NGXCSKSXQIUSOK-MRXNPFEDSA-N 2 0 360.458 2.553 20 5 FFBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000579125615 518535486 /nfs/dbraw/zinc/53/54/86/518535486.db2.gz DVNMLSOQEKCZNZ-HYVNUMGLSA-N 2 0 356.426 2.852 20 5 FFBDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)CC1 ZINC000589199409 518949295 /nfs/dbraw/zinc/94/92/95/518949295.db2.gz HYJWSAWPCLDAEO-OAHLLOKOSA-N 2 0 361.442 2.530 20 5 FFBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000595012099 520256470 /nfs/dbraw/zinc/25/64/70/520256470.db2.gz NLMVSXAVYVTPAL-OAHLLOKOSA-N 2 0 364.490 2.528 20 5 FFBDRP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000595469667 520490898 /nfs/dbraw/zinc/49/08/98/520490898.db2.gz IUZKHLNZIHBBOC-KRWDZBQOSA-N 2 0 363.458 2.550 20 5 FFBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593316001 520903709 /nfs/dbraw/zinc/90/37/09/520903709.db2.gz OKTRDCMNEGDRMU-JJRVBVJISA-N 2 0 353.850 2.967 20 5 FFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000596097511 520909304 /nfs/dbraw/zinc/90/93/04/520909304.db2.gz YKBCKTIXDPLJFW-OKZBNKHCSA-N 2 0 361.490 2.987 20 5 FFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872031882 731722503 /nfs/dbraw/zinc/72/25/03/731722503.db2.gz NMIACWCFMDJAGI-GJZGRUSLSA-N 2 0 352.454 2.658 20 5 FFBDRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641355 739267142 /nfs/dbraw/zinc/26/71/42/739267142.db2.gz DOELGMMWRJHFPS-KFWWJZLASA-N 2 0 350.463 2.717 20 5 FFBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000844903119 748132533 /nfs/dbraw/zinc/13/25/33/748132533.db2.gz SRMUBSFWYXBIAS-CPUCHLNUSA-N 2 0 353.850 2.967 20 5 FFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000873097635 1013384113 /nfs/dbraw/zinc/38/41/13/1013384113.db2.gz UIUWLWXVZWJAFH-UHFFFAOYSA-N 2 0 358.442 2.837 20 5 FFBDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877665871 1014667757 /nfs/dbraw/zinc/66/77/57/1014667757.db2.gz MLCJIHVSHAORBM-FLODPWGTSA-N 2 0 369.469 2.853 20 5 FFBDRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)[C@H]1C(C)C ZINC000922392708 988552106 /nfs/dbraw/zinc/55/21/06/988552106.db2.gz GOGRAJNCOPJJOR-MKXGPGLRSA-N 2 0 365.449 2.693 20 5 FFBDRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000859215700 1008489334 /nfs/dbraw/zinc/48/93/34/1008489334.db2.gz PDADXGNYTPKGOC-IBGZPJMESA-N 2 0 373.453 2.528 20 5 FFBDRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-] ZINC000130484379 1009339559 /nfs/dbraw/zinc/33/95/59/1009339559.db2.gz LHLRBZYCQYMGTO-INIZCTEOSA-N 2 0 369.469 2.901 20 5 FFBDRP CN(C)[C@H]1CCC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001179869311 1009484312 /nfs/dbraw/zinc/48/43/12/1009484312.db2.gz RGLKPWLFJITEHE-NRFANRHFSA-N 2 0 374.529 2.875 20 5 FFBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866270176 1010966608 /nfs/dbraw/zinc/96/66/08/1010966608.db2.gz SOQOJBIFWLFPHK-LSDHHAIUSA-N 2 0 365.449 2.755 20 5 FFBDRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000902428517 1020196383 /nfs/dbraw/zinc/19/63/83/1020196383.db2.gz DUDZDNBGVLMWOD-HUUCEWRRSA-N 2 0 363.458 2.609 20 5 FFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903091572 1020672605 /nfs/dbraw/zinc/67/26/05/1020672605.db2.gz WOSFDKPTXAEKAX-HZPDHXFCSA-N 2 0 364.490 2.528 20 5 FFBDRP C[C@@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1n1ccnc1 ZINC000246635779 1026303952 /nfs/dbraw/zinc/30/39/52/1026303952.db2.gz OOZXQPLWAAWOJO-RHSMWYFYSA-N 2 0 367.413 2.590 20 5 FFBDRP COc1c(O)ccc(CNCc2ccc(F)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC001333743259 1049096368 /nfs/dbraw/zinc/09/63/68/1049096368.db2.gz WIBFZRJREMSZTG-UHFFFAOYSA-N 2 0 363.389 2.800 20 5 FFBDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473809326 1065373418 /nfs/dbraw/zinc/37/34/18/1065373418.db2.gz NKLWZUCCRGKRRU-OAHLLOKOSA-N 2 0 369.425 2.529 20 5 FFBDRP Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000267398035 251345826 /nfs/dbraw/zinc/34/58/26/251345826.db2.gz FHHSJYSHPAQTLG-ZIAGYGMSSA-N 2 0 357.414 2.833 20 5 FFBDRP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000268800250 251389063 /nfs/dbraw/zinc/38/90/63/251389063.db2.gz HIOFSVLWYJVLET-FQEVSTJZSA-N 2 0 374.529 2.923 20 5 FFBDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279054461 256376885 /nfs/dbraw/zinc/37/68/85/256376885.db2.gz KJJHWOHEKIBCMY-IBGZPJMESA-N 2 0 360.502 2.933 20 5 FFBDRP CC[NH+]1CCN([C@@H]2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000302155551 258091568 /nfs/dbraw/zinc/09/15/68/258091568.db2.gz IRNZJNMKINTRAI-QGZVFWFLSA-N 2 0 369.469 2.668 20 5 FFBDRP CN1CCC([N@H+](CCO)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000155498328 509013433 /nfs/dbraw/zinc/01/34/33/509013433.db2.gz VXZYJOGFLBZWEO-UHFFFAOYSA-N 2 0 359.426 2.743 20 5 FFBDRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000186582729 509784326 /nfs/dbraw/zinc/78/43/26/509784326.db2.gz GTDPFUTXZYAOTC-HOTGVXAUSA-N 2 0 364.490 2.670 20 5 FFBDRP O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420321679 514092913 /nfs/dbraw/zinc/09/29/13/514092913.db2.gz RIQSMUROKMIIFO-ZDUSSCGKSA-N 2 0 372.391 2.735 20 5 FFBDRP Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420387045 514121775 /nfs/dbraw/zinc/12/17/75/514121775.db2.gz GGCRIUDADJZYCU-MAUKXSAKSA-N 2 0 360.458 2.696 20 5 FFBDRP Cc1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000432937107 514328469 /nfs/dbraw/zinc/32/84/69/514328469.db2.gz JEKFEHCYWGNULG-UHFFFAOYSA-N 2 0 358.442 2.998 20 5 FFBDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)CC1 ZINC000420980855 514419338 /nfs/dbraw/zinc/41/93/38/514419338.db2.gz MCEYHYKWJDZCTP-UHFFFAOYSA-N 2 0 360.502 2.895 20 5 FFBDRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424286660 514447418 /nfs/dbraw/zinc/44/74/18/514447418.db2.gz HQNPXZGEEFMGME-GFCCVEGCSA-N 2 0 366.849 2.651 20 5 FFBDRP Cc1cccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000549121928 517409969 /nfs/dbraw/zinc/40/99/69/517409969.db2.gz MTWPBLSHECQPHL-UHFFFAOYSA-N 2 0 355.442 2.922 20 5 FFBDRP CN(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000572732061 518336401 /nfs/dbraw/zinc/33/64/01/518336401.db2.gz PJVAZPMSLYGULX-ROUUACIJSA-N 2 0 357.458 2.997 20 5 FFBDRP COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000589505975 519019225 /nfs/dbraw/zinc/01/92/25/519019225.db2.gz SVUPVLKBWIWCPX-CRAIPNDOSA-N 2 0 373.453 2.830 20 5 FFBDRP COc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000594956922 520229127 /nfs/dbraw/zinc/22/91/27/520229127.db2.gz YBJKDIOFRYKQCW-UHFFFAOYSA-N 2 0 363.458 2.584 20 5 FFBDRP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000594976287 520239104 /nfs/dbraw/zinc/23/91/04/520239104.db2.gz YTJAYEQWZNZNKU-BOYDRYHPSA-N 2 0 367.449 2.964 20 5 FFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492999 520415292 /nfs/dbraw/zinc/41/52/92/520415292.db2.gz LGPCFSNHDHSLQE-DLBZAZTESA-N 2 0 374.485 2.943 20 5 FFBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492578 520416656 /nfs/dbraw/zinc/41/66/56/520416656.db2.gz AXYQFCXKWFQABD-OAGGEKHMSA-N 2 0 360.458 2.633 20 5 FFBDRP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595901217 520808705 /nfs/dbraw/zinc/80/87/05/520808705.db2.gz SFMQRPPCHFQPOY-INIZCTEOSA-N 2 0 360.458 2.635 20 5 FFBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901289 520808745 /nfs/dbraw/zinc/80/87/45/520808745.db2.gz UUEAVHDNCMVHTI-GDBMZVCRSA-N 2 0 360.458 2.633 20 5 FFBDRP [NH3+][C@H](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000602021537 521083320 /nfs/dbraw/zinc/08/33/20/521083320.db2.gz PKGXVTYNMKAKIC-FGTMMUONSA-N 2 0 357.458 2.825 20 5 FFBDRP CC(C)C[N@H+](C)CCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000593646928 521127862 /nfs/dbraw/zinc/12/78/62/521127862.db2.gz UFWNLTZNZIQAEB-GOSISDBHSA-N 2 0 359.474 2.985 20 5 FFBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602543305 521404951 /nfs/dbraw/zinc/40/49/51/521404951.db2.gz AFMPHIXABIRUFI-INIZCTEOSA-N 2 0 361.490 2.669 20 5 FFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)cn1 ZINC000602675596 521475660 /nfs/dbraw/zinc/47/56/60/521475660.db2.gz HTTZREQRNWHOPF-UHFFFAOYSA-N 2 0 361.490 2.814 20 5 FFBDRP