smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237352896 970268327 /nfs/dbraw/zinc/26/83/27/970268327.db2.gz JTGQAIRJVFJOOY-RTWAWAEBSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237352896 970268332 /nfs/dbraw/zinc/26/83/32/970268332.db2.gz JTGQAIRJVFJOOY-RTWAWAEBSA-N 2 2 411.502 3.899 20 5 HHBDLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266731 979201455 /nfs/dbraw/zinc/20/14/55/979201455.db2.gz BDHPLEKBEOAGCD-YSZBQJHXSA-N 2 2 409.530 3.790 20 5 HHBDLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266731 979201463 /nfs/dbraw/zinc/20/14/63/979201463.db2.gz BDHPLEKBEOAGCD-YSZBQJHXSA-N 2 2 409.530 3.790 20 5 HHBDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379769 984219884 /nfs/dbraw/zinc/21/98/84/984219884.db2.gz DWTUYGKAMCMHCS-LAUBAEHRSA-N 2 2 407.474 3.766 20 5 HHBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170276 994001493 /nfs/dbraw/zinc/00/14/93/994001493.db2.gz OWXBNNTZJLEDFF-BEFAXECRSA-N 2 2 416.909 3.687 20 5 HHBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170276 994001508 /nfs/dbraw/zinc/00/15/08/994001508.db2.gz OWXBNNTZJLEDFF-BEFAXECRSA-N 2 2 416.909 3.687 20 5 HHBDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000512667924 1004477933 /nfs/dbraw/zinc/47/79/33/1004477933.db2.gz GXCINQJTKMBGRC-OALUTQOASA-N 2 2 412.534 3.845 20 5 HHBDLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510519865 1004645078 /nfs/dbraw/zinc/64/50/78/1004645078.db2.gz CZOSCRAZNOXNHD-IIBYNOLFSA-N 2 2 407.474 3.510 20 5 HHBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359106 1006321839 /nfs/dbraw/zinc/32/18/39/1006321839.db2.gz FSVIIBYYSVSFDD-UXHICEINSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359106 1006321852 /nfs/dbraw/zinc/32/18/52/1006321852.db2.gz FSVIIBYYSVSFDD-UXHICEINSA-N 2 2 422.957 3.657 20 5 HHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000539515649 1007826495 /nfs/dbraw/zinc/82/64/95/1007826495.db2.gz QYRDGBCAOIICEK-QHCPKHFHSA-N 2 2 407.470 3.581 20 5 HHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000539515649 1007826504 /nfs/dbraw/zinc/82/65/04/1007826504.db2.gz QYRDGBCAOIICEK-QHCPKHFHSA-N 2 2 407.470 3.581 20 5 HHBDLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000536451097 1011669020 /nfs/dbraw/zinc/66/90/20/1011669020.db2.gz VUTDDSWMQBWISS-RTWAWAEBSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000536451097 1011669027 /nfs/dbraw/zinc/66/90/27/1011669027.db2.gz VUTDDSWMQBWISS-RTWAWAEBSA-N 2 2 417.554 3.704 20 5 HHBDLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032048994 966183344 /nfs/dbraw/zinc/18/33/44/966183344.db2.gz FITHKUPAGMWCNZ-UHFFFAOYSA-N 2 2 419.485 3.696 20 5 HHBDLP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033223000 966395566 /nfs/dbraw/zinc/39/55/66/966395566.db2.gz IZVQTXIJSFTEEJ-UHFFFAOYSA-N 2 2 407.474 3.552 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000061554941 966500368 /nfs/dbraw/zinc/50/03/68/966500368.db2.gz PVVFDKQHPYSAAX-UHFFFAOYSA-N 2 2 402.458 3.824 20 5 HHBDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237316981 970261673 /nfs/dbraw/zinc/26/16/73/970261673.db2.gz VIVPUHROEGJOQD-RTWAWAEBSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237316981 970261676 /nfs/dbraw/zinc/26/16/76/970261676.db2.gz VIVPUHROEGJOQD-RTWAWAEBSA-N 2 2 411.502 3.899 20 5 HHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)cs2)c1 ZINC000238008607 970417550 /nfs/dbraw/zinc/41/75/50/970417550.db2.gz VZWRSPUULNANIH-UHFFFAOYSA-N 2 2 424.526 3.840 20 5 HHBDLP C[NH+]1CCC(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000463071391 986028457 /nfs/dbraw/zinc/02/84/57/986028457.db2.gz RBLNDQXBKGAHEB-UHFFFAOYSA-N 2 2 400.445 3.976 20 5 HHBDLP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000470149524 988057534 /nfs/dbraw/zinc/05/75/34/988057534.db2.gz ATPGCGZTZUZZOM-PMACEKPBSA-N 2 2 421.517 3.535 20 5 HHBDLP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000470149524 988057546 /nfs/dbraw/zinc/05/75/46/988057546.db2.gz ATPGCGZTZUZZOM-PMACEKPBSA-N 2 2 421.517 3.535 20 5 HHBDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489333349 999747490 /nfs/dbraw/zinc/74/74/90/999747490.db2.gz RJCXFKYAPDZFEF-QGZVFWFLSA-N 2 2 411.506 3.555 20 5 HHBDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489333349 999747492 /nfs/dbraw/zinc/74/74/92/999747492.db2.gz RJCXFKYAPDZFEF-QGZVFWFLSA-N 2 2 411.506 3.555 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489658512 999811917 /nfs/dbraw/zinc/81/19/17/999811917.db2.gz JXLVXGAOIVISLN-UHFFFAOYSA-N 2 2 410.518 3.686 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489658512 999811918 /nfs/dbraw/zinc/81/19/18/999811918.db2.gz JXLVXGAOIVISLN-UHFFFAOYSA-N 2 2 410.518 3.686 20 5 HHBDLP C[NH+]1CCN(c2cc(C[NH2+][C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)ccn2)CC1 ZINC000490134741 999898241 /nfs/dbraw/zinc/89/82/41/999898241.db2.gz CQZOTHKLGXWNOL-XMMPIXPASA-N 2 2 417.513 3.621 20 5 HHBDLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510519857 1004645025 /nfs/dbraw/zinc/64/50/25/1004645025.db2.gz CZOSCRAZNOXNHD-HRAATJIYSA-N 2 2 407.474 3.510 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503426636 1005416886 /nfs/dbraw/zinc/41/68/86/1005416886.db2.gz ABKKUZBPOOXQLQ-QGZVFWFLSA-N 2 2 411.506 3.644 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503426636 1005416887 /nfs/dbraw/zinc/41/68/87/1005416887.db2.gz ABKKUZBPOOXQLQ-QGZVFWFLSA-N 2 2 411.506 3.644 20 5 HHBDLP CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000534361070 1006326493 /nfs/dbraw/zinc/32/64/93/1006326493.db2.gz DEPRNUZWKPEZQH-RTWAWAEBSA-N 2 2 416.566 3.566 20 5 HHBDLP CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000534361070 1006326506 /nfs/dbraw/zinc/32/65/06/1006326506.db2.gz DEPRNUZWKPEZQH-RTWAWAEBSA-N 2 2 416.566 3.566 20 5 HHBDLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000540321020 1008378871 /nfs/dbraw/zinc/37/88/71/1008378871.db2.gz LRXOENWJYDCBHU-OAQYLSRUSA-N 2 2 407.474 3.802 20 5 HHBDLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000540321020 1008378874 /nfs/dbraw/zinc/37/88/74/1008378874.db2.gz LRXOENWJYDCBHU-OAQYLSRUSA-N 2 2 407.474 3.802 20 5 HHBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684431 1071801798 /nfs/dbraw/zinc/80/17/98/1071801798.db2.gz PMGKBGLJVQEEFY-HKUYNNGSSA-N 2 2 417.893 3.993 20 5 HHBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684431 1071801804 /nfs/dbraw/zinc/80/18/04/1071801804.db2.gz PMGKBGLJVQEEFY-HKUYNNGSSA-N 2 2 417.893 3.993 20 5 HHBDLP COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000302149287 971188457 /nfs/dbraw/zinc/18/84/57/971188457.db2.gz HJNFSBPIVLHLFC-UHFFFAOYSA-N 2 2 412.490 3.903 20 5 HHBDLP CCc1ccc([C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481717 1013430091 /nfs/dbraw/zinc/43/00/91/1013430091.db2.gz APVWJVRRXQSELL-GMAHTHKFSA-N 2 2 414.550 3.701 20 5 HHBDLP CCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000236778725 970171291 /nfs/dbraw/zinc/17/12/91/970171291.db2.gz BWAHVPDMMHZKIX-UHFFFAOYSA-N 2 2 405.417 3.509 20 5 HHBDLP O=[N+]([O-])c1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)ccc1Oc1ccccc1Cl ZINC000238150779 970450260 /nfs/dbraw/zinc/45/02/60/970450260.db2.gz GKSFSEAOILLRHF-UHFFFAOYSA-N 2 2 419.909 3.977 20 5 HHBDLP Cc1ccc(Sc2ccc(C[N@@H+](CCO)C3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000434986572 980551202 /nfs/dbraw/zinc/55/12/02/980551202.db2.gz PGGDIXTXNKOROE-UHFFFAOYSA-N 2 2 415.559 3.943 20 5 HHBDLP Cc1ccc(Sc2ccc(C[N@H+](CCO)C3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000434986572 980551205 /nfs/dbraw/zinc/55/12/05/980551205.db2.gz PGGDIXTXNKOROE-UHFFFAOYSA-N 2 2 415.559 3.943 20 5 HHBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470654571 988670378 /nfs/dbraw/zinc/67/03/78/988670378.db2.gz UNRQLWNYHOLLAJ-HXUWFJFHSA-N 2 2 419.485 3.517 20 5 HHBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470654571 988670385 /nfs/dbraw/zinc/67/03/85/988670385.db2.gz UNRQLWNYHOLLAJ-HXUWFJFHSA-N 2 2 419.485 3.517 20 5 HHBDLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000473780095 994702895 /nfs/dbraw/zinc/70/28/95/994702895.db2.gz HYWLWFDLLKCRKI-SFTDATJTSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000473780095 994702902 /nfs/dbraw/zinc/70/29/02/994702902.db2.gz HYWLWFDLLKCRKI-SFTDATJTSA-N 2 2 417.554 3.704 20 5 HHBDLP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000478051625 998737038 /nfs/dbraw/zinc/73/70/38/998737038.db2.gz CIRINUNYLYGMEX-KRWDZBQOSA-N 2 2 418.538 3.518 20 5 HHBDLP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000478051625 998737041 /nfs/dbraw/zinc/73/70/41/998737041.db2.gz CIRINUNYLYGMEX-KRWDZBQOSA-N 2 2 418.538 3.518 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000503381908 1005403777 /nfs/dbraw/zinc/40/37/77/1005403777.db2.gz GDOJAFPFPHBBHF-INIZCTEOSA-N 2 2 408.462 3.557 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000503381908 1005403780 /nfs/dbraw/zinc/40/37/80/1005403780.db2.gz GDOJAFPFPHBBHF-INIZCTEOSA-N 2 2 408.462 3.557 20 5 HHBDLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549526882 1009137373 /nfs/dbraw/zinc/13/73/73/1009137373.db2.gz YFCFFAGWFOHJAA-XYPWUTKMSA-N 2 2 412.456 3.669 20 5 HHBDLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549526882 1009137382 /nfs/dbraw/zinc/13/73/82/1009137382.db2.gz YFCFFAGWFOHJAA-XYPWUTKMSA-N 2 2 412.456 3.669 20 5 HHBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544622053 1010246009 /nfs/dbraw/zinc/24/60/09/1010246009.db2.gz PRWJGMZXVVCRHP-PMACEKPBSA-N 2 2 421.517 3.535 20 5 HHBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544622053 1010246016 /nfs/dbraw/zinc/24/60/16/1010246016.db2.gz PRWJGMZXVVCRHP-PMACEKPBSA-N 2 2 421.517 3.535 20 5 HHBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684433 1071802220 /nfs/dbraw/zinc/80/22/20/1071802220.db2.gz PMGKBGLJVQEEFY-MJGOQNOKSA-N 2 2 417.893 3.993 20 5 HHBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684433 1071802243 /nfs/dbraw/zinc/80/22/43/1071802243.db2.gz PMGKBGLJVQEEFY-MJGOQNOKSA-N 2 2 417.893 3.993 20 5 HHBDLP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052713739 964960275 /nfs/dbraw/zinc/96/02/75/964960275.db2.gz OTHKRYXYUIFXBJ-QGZVFWFLSA-N 2 2 418.538 3.518 20 5 HHBDLP Cc1ccc([C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000109505022 969525771 /nfs/dbraw/zinc/52/57/71/969525771.db2.gz WVYIFHDAALMOLF-QFIPXVFZSA-N 2 2 419.485 3.656 20 5 HHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000236854083 970180436 /nfs/dbraw/zinc/18/04/36/970180436.db2.gz VYBSOSNSTMBCPS-ROUUACIJSA-N 2 2 413.518 3.893 20 5 HHBDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386817 984224207 /nfs/dbraw/zinc/22/42/07/984224207.db2.gz XBIIFVNFNOGIAZ-YADHBBJMSA-N 2 2 419.485 3.545 20 5 HHBDLP CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480630705 999845498 /nfs/dbraw/zinc/84/54/98/999845498.db2.gz NFHHRXHGKBOQJH-JOCHJYFZSA-N 2 2 410.518 3.613 20 5 HHBDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509450637 1003871452 /nfs/dbraw/zinc/87/14/52/1003871452.db2.gz GEIOCWOQCPEAKB-NRFANRHFSA-N 2 2 411.502 3.852 20 5 HHBDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509450637 1003871469 /nfs/dbraw/zinc/87/14/69/1003871469.db2.gz GEIOCWOQCPEAKB-NRFANRHFSA-N 2 2 411.502 3.852 20 5 HHBDLP CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649342 1007959603 /nfs/dbraw/zinc/95/96/03/1007959603.db2.gz MLLRLOWYSXNEDN-RBUKOAKNSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649342 1007959629 /nfs/dbraw/zinc/95/96/29/1007959629.db2.gz MLLRLOWYSXNEDN-RBUKOAKNSA-N 2 2 422.957 3.657 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549163136 1008734286 /nfs/dbraw/zinc/73/42/86/1008734286.db2.gz YFDBDPLKQKTRCO-NRFANRHFSA-N 2 2 410.518 3.732 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549163136 1008734299 /nfs/dbraw/zinc/73/42/99/1008734299.db2.gz YFDBDPLKQKTRCO-NRFANRHFSA-N 2 2 410.518 3.732 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549165501 1008737505 /nfs/dbraw/zinc/73/75/05/1008737505.db2.gz KOFGFAHMYAPCDV-NRFANRHFSA-N 2 2 410.518 3.732 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549165501 1008737516 /nfs/dbraw/zinc/73/75/16/1008737516.db2.gz KOFGFAHMYAPCDV-NRFANRHFSA-N 2 2 410.518 3.732 20 5 HHBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520207896 1009342194 /nfs/dbraw/zinc/34/21/94/1009342194.db2.gz PVUWPLIWYDBYRZ-LBPRGKRZSA-N 2 2 405.252 3.992 20 5 HHBDLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000536451096 1011669545 /nfs/dbraw/zinc/66/95/45/1011669545.db2.gz VUTDDSWMQBWISS-NHCUHLMSSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000536451096 1011669553 /nfs/dbraw/zinc/66/95/53/1011669553.db2.gz VUTDDSWMQBWISS-NHCUHLMSSA-N 2 2 417.554 3.704 20 5 HHBDLP C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430619306 977656942 /nfs/dbraw/zinc/65/69/42/977656942.db2.gz AYMVVOFEQKJIMW-PXNSSMCTSA-N 2 2 419.485 3.563 20 5 HHBDLP C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000430619306 977656949 /nfs/dbraw/zinc/65/69/49/977656949.db2.gz AYMVVOFEQKJIMW-PXNSSMCTSA-N 2 2 419.485 3.563 20 5 HHBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170287 994000954 /nfs/dbraw/zinc/00/09/54/994000954.db2.gz OWXBNNTZJLEDFF-KXBFYZLASA-N 2 2 416.909 3.687 20 5 HHBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170287 994000962 /nfs/dbraw/zinc/00/09/62/994000962.db2.gz OWXBNNTZJLEDFF-KXBFYZLASA-N 2 2 416.909 3.687 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478050795 998736631 /nfs/dbraw/zinc/73/66/31/998736631.db2.gz AEDPZBQOIBFQGT-GOSISDBHSA-N 2 2 402.539 3.818 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478050795 998736633 /nfs/dbraw/zinc/73/66/33/998736633.db2.gz AEDPZBQOIBFQGT-GOSISDBHSA-N 2 2 402.539 3.818 20 5 HHBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567877 1003950110 /nfs/dbraw/zinc/95/01/10/1003950110.db2.gz GXDFXUOOMSVNBR-PMACEKPBSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567877 1003950111 /nfs/dbraw/zinc/95/01/11/1003950111.db2.gz GXDFXUOOMSVNBR-PMACEKPBSA-N 2 2 411.502 3.899 20 5 HHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)cs2)c1 ZINC000514250007 1005333445 /nfs/dbraw/zinc/33/34/45/1005333445.db2.gz NMYYBARDBOOTSE-OAQYLSRUSA-N 2 2 424.526 3.575 20 5 HHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cs2)c1 ZINC000514250007 1005333449 /nfs/dbraw/zinc/33/34/49/1005333449.db2.gz NMYYBARDBOOTSE-OAQYLSRUSA-N 2 2 424.526 3.575 20 5 HHBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359084 1006322207 /nfs/dbraw/zinc/32/22/07/1006322207.db2.gz FSVIIBYYSVSFDD-PMACEKPBSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359084 1006322214 /nfs/dbraw/zinc/32/22/14/1006322214.db2.gz FSVIIBYYSVSFDD-PMACEKPBSA-N 2 2 422.957 3.657 20 5 HHBDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000540408375 1008420285 /nfs/dbraw/zinc/42/02/85/1008420285.db2.gz HXKCGIAWVVJLGR-HNNXBMFYSA-N 2 2 404.461 3.866 20 5 HHBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544622056 1010246399 /nfs/dbraw/zinc/24/63/99/1010246399.db2.gz PRWJGMZXVVCRHP-WOJBJXKFSA-N 2 2 421.517 3.535 20 5 HHBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544622056 1010246406 /nfs/dbraw/zinc/24/64/06/1010246406.db2.gz PRWJGMZXVVCRHP-WOJBJXKFSA-N 2 2 421.517 3.535 20 5 HHBDLP C[N@H+](CCc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000537127028 1012511691 /nfs/dbraw/zinc/51/16/91/1012511691.db2.gz UVKCBFNQQDJODD-UHFFFAOYSA-N 2 2 405.458 3.670 20 5 HHBDLP C[N@@H+](CCc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000537127028 1012511709 /nfs/dbraw/zinc/51/17/09/1012511709.db2.gz UVKCBFNQQDJODD-UHFFFAOYSA-N 2 2 405.458 3.670 20 5 HHBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1Oc1ccccc1Cl ZINC000237962936 970406770 /nfs/dbraw/zinc/40/67/70/970406770.db2.gz IIUSQHICAUKHKW-MRXNPFEDSA-N 2 2 405.882 3.587 20 5 HHBDLP C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430619311 977657039 /nfs/dbraw/zinc/65/70/39/977657039.db2.gz AYMVVOFEQKJIMW-YLJYHZDGSA-N 2 2 419.485 3.563 20 5 HHBDLP C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000430619311 977657043 /nfs/dbraw/zinc/65/70/43/977657043.db2.gz AYMVVOFEQKJIMW-YLJYHZDGSA-N 2 2 419.485 3.563 20 5 HHBDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378731 984219055 /nfs/dbraw/zinc/21/90/55/984219055.db2.gz OINYGMZPOIAEMM-XLIONFOSSA-N 2 2 407.474 3.766 20 5 HHBDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384344 984222844 /nfs/dbraw/zinc/22/28/44/984222844.db2.gz NQQCDILROAXZBB-LAUBAEHRSA-N 2 2 407.474 3.766 20 5 HHBDLP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000534965046 1007016588 /nfs/dbraw/zinc/01/65/88/1007016588.db2.gz JRSUMZXKODYHQP-UHFFFAOYSA-N 2 2 408.502 3.521 20 5 HHBDLP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000534965046 1007016600 /nfs/dbraw/zinc/01/66/00/1007016600.db2.gz JRSUMZXKODYHQP-UHFFFAOYSA-N 2 2 408.502 3.521 20 5 HHBDLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000540321019 1008379020 /nfs/dbraw/zinc/37/90/20/1008379020.db2.gz LRXOENWJYDCBHU-NRFANRHFSA-N 2 2 407.474 3.802 20 5 HHBDLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000540321019 1008379024 /nfs/dbraw/zinc/37/90/24/1008379024.db2.gz LRXOENWJYDCBHU-NRFANRHFSA-N 2 2 407.474 3.802 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000541055248 1011696101 /nfs/dbraw/zinc/69/61/01/1011696101.db2.gz XEVCSMBOBLPEEV-LNLFQRSKSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000541055248 1011696112 /nfs/dbraw/zinc/69/61/12/1011696112.db2.gz XEVCSMBOBLPEEV-LNLFQRSKSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000541055248 1011696118 /nfs/dbraw/zinc/69/61/18/1011696118.db2.gz XEVCSMBOBLPEEV-LNLFQRSKSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000541055248 1011696122 /nfs/dbraw/zinc/69/61/22/1011696122.db2.gz XEVCSMBOBLPEEV-LNLFQRSKSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000541162984 1011825828 /nfs/dbraw/zinc/82/58/28/1011825828.db2.gz IIEQAIFGCIGHIJ-UHFFFAOYSA-N 2 2 413.522 3.755 20 5 HHBDLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237443044 970289243 /nfs/dbraw/zinc/28/92/43/970289243.db2.gz KAKHPXIHQSYEDM-SFHVURJKSA-N 2 2 411.502 3.756 20 5 HHBDLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237443044 970289247 /nfs/dbraw/zinc/28/92/47/970289247.db2.gz KAKHPXIHQSYEDM-SFHVURJKSA-N 2 2 411.502 3.756 20 5 HHBDLP C[NH+]1CCC(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000460503417 982292946 /nfs/dbraw/zinc/29/29/46/982292946.db2.gz LNINKUCYOHNRQC-UHFFFAOYSA-N 2 2 416.566 3.572 20 5 HHBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478037921 998728109 /nfs/dbraw/zinc/72/81/09/998728109.db2.gz BMKJHNLXCPZVBB-QZTJIDSGSA-N 2 2 402.539 3.898 20 5 HHBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478037921 998728115 /nfs/dbraw/zinc/72/81/15/998728115.db2.gz BMKJHNLXCPZVBB-QZTJIDSGSA-N 2 2 402.539 3.898 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478050796 998736559 /nfs/dbraw/zinc/73/65/59/998736559.db2.gz AEDPZBQOIBFQGT-SFHVURJKSA-N 2 2 402.539 3.818 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478050796 998736567 /nfs/dbraw/zinc/73/65/67/998736567.db2.gz AEDPZBQOIBFQGT-SFHVURJKSA-N 2 2 402.539 3.818 20 5 HHBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000479481113 999436121 /nfs/dbraw/zinc/43/61/21/999436121.db2.gz QUBUELNYRXBHHH-BACDZXNISA-N 2 2 415.460 3.670 20 5 HHBDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505919533 1001101583 /nfs/dbraw/zinc/10/15/83/1001101583.db2.gz SFCCYCARFIGEMH-MSOLQXFVSA-N 2 2 411.506 3.507 20 5 HHBDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505919533 1001101590 /nfs/dbraw/zinc/10/15/90/1001101590.db2.gz SFCCYCARFIGEMH-MSOLQXFVSA-N 2 2 411.506 3.507 20 5 HHBDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509621915 1003987715 /nfs/dbraw/zinc/98/77/15/1003987715.db2.gz VIVPUHROEGJOQD-NHCUHLMSSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509621915 1003987720 /nfs/dbraw/zinc/98/77/20/1003987720.db2.gz VIVPUHROEGJOQD-NHCUHLMSSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517786269 1007968719 /nfs/dbraw/zinc/96/87/19/1007968719.db2.gz RCJKJGQAWWHDLB-QGZVFWFLSA-N 2 2 408.458 3.553 20 5 HHBDLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000303639672 971919207 /nfs/dbraw/zinc/91/92/07/971919207.db2.gz HGXIMQWACYELEX-KRWDZBQOSA-N 2 2 419.485 3.736 20 5 HHBDLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032738003 966321881 /nfs/dbraw/zinc/32/18/81/966321881.db2.gz ZKPXHGWRUALUNS-UHFFFAOYSA-N 2 2 407.474 3.551 20 5 HHBDLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032738003 966321887 /nfs/dbraw/zinc/32/18/87/966321887.db2.gz ZKPXHGWRUALUNS-UHFFFAOYSA-N 2 2 407.474 3.551 20 5 HHBDLP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109484974 969523733 /nfs/dbraw/zinc/52/37/33/969523733.db2.gz BFSDXZYIFYVHBK-UHFFFAOYSA-N 2 2 423.498 3.582 20 5 HHBDLP C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430619302 977656991 /nfs/dbraw/zinc/65/69/91/977656991.db2.gz AYMVVOFEQKJIMW-FXAWDEMLSA-N 2 2 419.485 3.563 20 5 HHBDLP C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000430619302 977656996 /nfs/dbraw/zinc/65/69/96/977656996.db2.gz AYMVVOFEQKJIMW-FXAWDEMLSA-N 2 2 419.485 3.563 20 5 HHBDLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000434500083 980213677 /nfs/dbraw/zinc/21/36/77/980213677.db2.gz PYFQILGZVZPIKE-IBGZPJMESA-N 2 2 421.501 3.641 20 5 HHBDLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000434500083 980213679 /nfs/dbraw/zinc/21/36/79/980213679.db2.gz PYFQILGZVZPIKE-IBGZPJMESA-N 2 2 421.501 3.641 20 5 HHBDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000434500083 980213685 /nfs/dbraw/zinc/21/36/85/980213685.db2.gz PYFQILGZVZPIKE-IBGZPJMESA-N 2 2 421.501 3.641 20 5 HHBDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000434500083 980213689 /nfs/dbraw/zinc/21/36/89/980213689.db2.gz PYFQILGZVZPIKE-IBGZPJMESA-N 2 2 421.501 3.641 20 5 HHBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190870 994023566 /nfs/dbraw/zinc/02/35/66/994023566.db2.gz PNVGGRCTIHZRIE-QAPCUYQASA-N 2 2 416.909 3.687 20 5 HHBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190870 994023576 /nfs/dbraw/zinc/02/35/76/994023576.db2.gz PNVGGRCTIHZRIE-QAPCUYQASA-N 2 2 416.909 3.687 20 5 HHBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190869 994023670 /nfs/dbraw/zinc/02/36/70/994023670.db2.gz PNVGGRCTIHZRIE-MAUKXSAKSA-N 2 2 416.909 3.687 20 5 HHBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190869 994023679 /nfs/dbraw/zinc/02/36/79/994023679.db2.gz PNVGGRCTIHZRIE-MAUKXSAKSA-N 2 2 416.909 3.687 20 5 HHBDLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000473780093 994703112 /nfs/dbraw/zinc/70/31/12/994703112.db2.gz HYWLWFDLLKCRKI-NHCUHLMSSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000473780093 994703124 /nfs/dbraw/zinc/70/31/24/994703124.db2.gz HYWLWFDLLKCRKI-NHCUHLMSSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000489135669 999709421 /nfs/dbraw/zinc/70/94/21/999709421.db2.gz HSQWYTFKHDDPJJ-NHCUHLMSSA-N 2 2 423.561 3.893 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000489135669 999709424 /nfs/dbraw/zinc/70/94/24/999709424.db2.gz HSQWYTFKHDDPJJ-NHCUHLMSSA-N 2 2 423.561 3.893 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494465841 1000506793 /nfs/dbraw/zinc/50/67/93/1000506793.db2.gz OCPSMWWRCHRHML-IBGZPJMESA-N 2 2 414.469 3.749 20 5 HHBDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509450638 1003872215 /nfs/dbraw/zinc/87/22/15/1003872215.db2.gz GEIOCWOQCPEAKB-OAQYLSRUSA-N 2 2 411.502 3.852 20 5 HHBDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509450638 1003872232 /nfs/dbraw/zinc/87/22/32/1003872232.db2.gz GEIOCWOQCPEAKB-OAQYLSRUSA-N 2 2 411.502 3.852 20 5 HHBDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000502345179 1005024457 /nfs/dbraw/zinc/02/44/57/1005024457.db2.gz KRJHKXJXXFNOGR-OAHLLOKOSA-N 2 2 400.479 3.524 20 5 HHBDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000502345179 1005024460 /nfs/dbraw/zinc/02/44/60/1005024460.db2.gz KRJHKXJXXFNOGR-OAHLLOKOSA-N 2 2 400.479 3.524 20 5 HHBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000538752333 1007037620 /nfs/dbraw/zinc/03/76/20/1007037620.db2.gz ZOCJCBRKCQLFNN-HXUWFJFHSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000538752333 1007037626 /nfs/dbraw/zinc/03/76/26/1007037626.db2.gz ZOCJCBRKCQLFNN-HXUWFJFHSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000538752333 1007037636 /nfs/dbraw/zinc/03/76/36/1007037636.db2.gz ZOCJCBRKCQLFNN-HXUWFJFHSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000538752333 1007037645 /nfs/dbraw/zinc/03/76/45/1007037645.db2.gz ZOCJCBRKCQLFNN-HXUWFJFHSA-N 2 2 413.518 3.956 20 5 HHBDLP CN(C(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474723 1075619201 /nfs/dbraw/zinc/61/92/01/1075619201.db2.gz QDADUBNWSCXSHG-HXUWFJFHSA-N 2 2 402.542 3.629 20 5 HHBDLP CN(C(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474723 1075619206 /nfs/dbraw/zinc/61/92/06/1075619206.db2.gz QDADUBNWSCXSHG-HXUWFJFHSA-N 2 2 402.542 3.629 20 5 HHBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713513 964960101 /nfs/dbraw/zinc/96/01/01/964960101.db2.gz NMIJYSONCOTCTK-QGZVFWFLSA-N 2 2 418.538 3.518 20 5 HHBDLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032140419 966194757 /nfs/dbraw/zinc/19/47/57/966194757.db2.gz SDUCZQPWIFSSQU-NRFANRHFSA-N 2 2 407.474 3.593 20 5 HHBDLP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000056326482 966303828 /nfs/dbraw/zinc/30/38/28/966303828.db2.gz DMUMUGDTDPLIDS-UHFFFAOYSA-N 2 2 405.458 3.671 20 5 HHBDLP Cn1cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237761774 970358525 /nfs/dbraw/zinc/35/85/25/970358525.db2.gz OHUHHZBHBSBQNX-UHFFFAOYSA-N 2 2 416.485 3.572 20 5 HHBDLP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237769075 970361920 /nfs/dbraw/zinc/36/19/20/970361920.db2.gz FWXLGIWYDWJCOG-JOCHJYFZSA-N 2 2 405.502 3.750 20 5 HHBDLP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237769075 970361932 /nfs/dbraw/zinc/36/19/32/970361932.db2.gz FWXLGIWYDWJCOG-JOCHJYFZSA-N 2 2 405.502 3.750 20 5 HHBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478056879 998740022 /nfs/dbraw/zinc/74/00/22/998740022.db2.gz YOHNZZMEYOYSFO-KRWDZBQOSA-N 2 2 418.538 3.518 20 5 HHBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478056879 998740026 /nfs/dbraw/zinc/74/00/26/998740026.db2.gz YOHNZZMEYOYSFO-KRWDZBQOSA-N 2 2 418.538 3.518 20 5 HHBDLP COc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493642706 1000182985 /nfs/dbraw/zinc/18/29/85/1000182985.db2.gz OOTCIIOYSIANAT-UHFFFAOYSA-N 2 2 413.465 3.744 20 5 HHBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000504894631 1000433979 /nfs/dbraw/zinc/43/39/79/1000433979.db2.gz NFGRZDMNQZGHPJ-DZFGPLHGSA-N 2 2 413.518 3.527 20 5 HHBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000504894631 1000433984 /nfs/dbraw/zinc/43/39/84/1000433984.db2.gz NFGRZDMNQZGHPJ-DZFGPLHGSA-N 2 2 413.518 3.527 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)o2)c(Br)c1 ZINC000494446099 1000495963 /nfs/dbraw/zinc/49/59/63/1000495963.db2.gz TXYJOMJGDPGHNK-GFCCVEGCSA-N 2 2 417.263 3.918 20 5 HHBDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000512667925 1004477741 /nfs/dbraw/zinc/47/77/41/1004477741.db2.gz GXCINQJTKMBGRC-RTBURBONSA-N 2 2 412.534 3.845 20 5 HHBDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000512667848 1004477868 /nfs/dbraw/zinc/47/78/68/1004477868.db2.gz GXCINQJTKMBGRC-KDURUIRLSA-N 2 2 412.534 3.845 20 5 HHBDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000512667848 1004477873 /nfs/dbraw/zinc/47/78/73/1004477873.db2.gz GXCINQJTKMBGRC-KDURUIRLSA-N 2 2 412.534 3.845 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503426635 1005416909 /nfs/dbraw/zinc/41/69/09/1005416909.db2.gz ABKKUZBPOOXQLQ-KRWDZBQOSA-N 2 2 411.506 3.644 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503426635 1005416910 /nfs/dbraw/zinc/41/69/10/1005416910.db2.gz ABKKUZBPOOXQLQ-KRWDZBQOSA-N 2 2 411.506 3.644 20 5 HHBDLP CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359496 1006323109 /nfs/dbraw/zinc/32/31/09/1006323109.db2.gz JTXREKIRQMOTHX-UXHICEINSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359496 1006323122 /nfs/dbraw/zinc/32/31/22/1006323122.db2.gz JTXREKIRQMOTHX-UXHICEINSA-N 2 2 422.957 3.657 20 5 HHBDLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522546609 1011073073 /nfs/dbraw/zinc/07/30/73/1011073073.db2.gz WHKTWIGLNKCXMS-LRDDRELGSA-N 2 2 418.460 3.897 20 5 HHBDLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000536451099 1011668984 /nfs/dbraw/zinc/66/89/84/1011668984.db2.gz VUTDDSWMQBWISS-SFTDATJTSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000536451099 1011668994 /nfs/dbraw/zinc/66/89/94/1011668994.db2.gz VUTDDSWMQBWISS-SFTDATJTSA-N 2 2 417.554 3.704 20 5 HHBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537621503 1013166624 /nfs/dbraw/zinc/16/66/24/1013166624.db2.gz UNSOQEFPUXUKMI-UHFFFAOYSA-N 3 2 418.582 3.622 20 5 HHBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537621503 1013166636 /nfs/dbraw/zinc/16/66/36/1013166636.db2.gz UNSOQEFPUXUKMI-UHFFFAOYSA-N 3 2 418.582 3.622 20 5 HHBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4ccccc4c4cccnc34)CC2)CC1 ZINC000050797968 964400287 /nfs/dbraw/zinc/40/02/87/964400287.db2.gz JFYVRKFCTBPZKG-UHFFFAOYSA-N 2 2 402.542 3.676 20 5 HHBDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237363026 970270531 /nfs/dbraw/zinc/27/05/31/970270531.db2.gz VIVPUHROEGJOQD-SFTDATJTSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237363026 970270538 /nfs/dbraw/zinc/27/05/38/970270538.db2.gz VIVPUHROEGJOQD-SFTDATJTSA-N 2 2 411.502 3.899 20 5 HHBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000429458920 976733003 /nfs/dbraw/zinc/73/30/03/976733003.db2.gz XKTKADKYKAOKJN-XZOQPEGZSA-N 2 2 409.530 3.797 20 5 HHBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000429458920 976733010 /nfs/dbraw/zinc/73/30/10/976733010.db2.gz XKTKADKYKAOKJN-XZOQPEGZSA-N 2 2 409.530 3.797 20 5 HHBDLP C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000437484096 982111347 /nfs/dbraw/zinc/11/13/47/982111347.db2.gz INZAHIXIEGYSQI-SFHVURJKSA-N 2 2 419.485 3.517 20 5 HHBDLP C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000437484096 982111359 /nfs/dbraw/zinc/11/13/59/982111359.db2.gz INZAHIXIEGYSQI-SFHVURJKSA-N 2 2 419.485 3.517 20 5 HHBDLP C[NH+]1CCC(CNc2ccc(Br)cc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000463074193 986031043 /nfs/dbraw/zinc/03/10/43/986031043.db2.gz QFNDOKDLUWCHPI-UHFFFAOYSA-N 2 2 411.344 3.720 20 5 HHBDLP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491059158 1000040669 /nfs/dbraw/zinc/04/06/69/1000040669.db2.gz JRMAFFUSUZDSFN-UHFFFAOYSA-N 2 2 401.454 3.600 20 5 HHBDLP COc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000512280090 1004181476 /nfs/dbraw/zinc/18/14/76/1004181476.db2.gz UVOYCYUGUDPNLK-HSZRJFAPSA-N 2 2 411.502 3.580 20 5 HHBDLP COc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000512280090 1004181483 /nfs/dbraw/zinc/18/14/83/1004181483.db2.gz UVOYCYUGUDPNLK-HSZRJFAPSA-N 2 2 411.502 3.580 20 5 HHBDLP COc1ccc(OCC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000512280090 1004181491 /nfs/dbraw/zinc/18/14/91/1004181491.db2.gz UVOYCYUGUDPNLK-HSZRJFAPSA-N 2 2 411.502 3.580 20 5 HHBDLP COc1ccc(OCC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000512280090 1004181496 /nfs/dbraw/zinc/18/14/96/1004181496.db2.gz UVOYCYUGUDPNLK-HSZRJFAPSA-N 2 2 411.502 3.580 20 5 HHBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)CC1 ZINC000513456199 1004974397 /nfs/dbraw/zinc/97/43/97/1004974397.db2.gz OWYHSCUOJZFLFQ-JOCHJYFZSA-N 2 2 423.561 3.575 20 5 HHBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)CC1 ZINC000513456199 1004974404 /nfs/dbraw/zinc/97/44/04/1004974404.db2.gz OWYHSCUOJZFLFQ-JOCHJYFZSA-N 2 2 423.561 3.575 20 5 HHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)cs2)c1 ZINC000514250006 1005333531 /nfs/dbraw/zinc/33/35/31/1005333531.db2.gz NMYYBARDBOOTSE-NRFANRHFSA-N 2 2 424.526 3.575 20 5 HHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)cs2)c1 ZINC000514250006 1005333533 /nfs/dbraw/zinc/33/35/33/1005333533.db2.gz NMYYBARDBOOTSE-NRFANRHFSA-N 2 2 424.526 3.575 20 5 HHBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544622055 1010246298 /nfs/dbraw/zinc/24/62/98/1010246298.db2.gz PRWJGMZXVVCRHP-VQTJNVASSA-N 2 2 421.517 3.535 20 5 HHBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544622055 1010246306 /nfs/dbraw/zinc/24/63/06/1010246306.db2.gz PRWJGMZXVVCRHP-VQTJNVASSA-N 2 2 421.517 3.535 20 5 HHBDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236627075 970148204 /nfs/dbraw/zinc/14/82/04/970148204.db2.gz LKWYWYPZBMPIKT-LJQANCHMSA-N 2 2 417.481 3.709 20 5 HHBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237417958 970281796 /nfs/dbraw/zinc/28/17/96/970281796.db2.gz JTGQAIRJVFJOOY-SFTDATJTSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237417958 970281806 /nfs/dbraw/zinc/28/18/06/970281806.db2.gz JTGQAIRJVFJOOY-SFTDATJTSA-N 2 2 411.502 3.899 20 5 HHBDLP C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000437484092 982111482 /nfs/dbraw/zinc/11/14/82/982111482.db2.gz INZAHIXIEGYSQI-GOSISDBHSA-N 2 2 419.485 3.517 20 5 HHBDLP C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000437484092 982111488 /nfs/dbraw/zinc/11/14/88/982111488.db2.gz INZAHIXIEGYSQI-GOSISDBHSA-N 2 2 419.485 3.517 20 5 HHBDLP CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809647 989042658 /nfs/dbraw/zinc/04/26/58/989042658.db2.gz MYHSZGPHTHNCPN-UHFFFAOYSA-N 2 2 422.489 3.778 20 5 HHBDLP CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809647 989042672 /nfs/dbraw/zinc/04/26/72/989042672.db2.gz MYHSZGPHTHNCPN-UHFFFAOYSA-N 2 2 422.489 3.778 20 5 HHBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170285 994001816 /nfs/dbraw/zinc/00/18/16/994001816.db2.gz OWXBNNTZJLEDFF-HNAYVOBHSA-N 2 2 416.909 3.687 20 5 HHBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170285 994001825 /nfs/dbraw/zinc/00/18/25/994001825.db2.gz OWXBNNTZJLEDFF-HNAYVOBHSA-N 2 2 416.909 3.687 20 5 HHBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481186792 994018087 /nfs/dbraw/zinc/01/80/87/994018087.db2.gz YFVPWCRTIOLKTB-XKGZKEIXSA-N 2 2 410.518 3.730 20 5 HHBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481186792 994018098 /nfs/dbraw/zinc/01/80/98/994018098.db2.gz YFVPWCRTIOLKTB-XKGZKEIXSA-N 2 2 410.518 3.730 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000489135676 999709315 /nfs/dbraw/zinc/70/93/15/999709315.db2.gz HSQWYTFKHDDPJJ-SFTDATJTSA-N 2 2 423.561 3.893 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000489135676 999709319 /nfs/dbraw/zinc/70/93/19/999709319.db2.gz HSQWYTFKHDDPJJ-SFTDATJTSA-N 2 2 423.561 3.893 20 5 HHBDLP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000480212785 999746770 /nfs/dbraw/zinc/74/67/70/999746770.db2.gz ZHMUZTDSLVIBDK-MRXNPFEDSA-N 2 2 410.478 3.634 20 5 HHBDLP Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000480212785 999746772 /nfs/dbraw/zinc/74/67/72/999746772.db2.gz ZHMUZTDSLVIBDK-MRXNPFEDSA-N 2 2 410.478 3.634 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)o2)c(Br)c1 ZINC000494446107 1000495954 /nfs/dbraw/zinc/49/59/54/1000495954.db2.gz TXYJOMJGDPGHNK-LBPRGKRZSA-N 2 2 417.263 3.918 20 5 HHBDLP C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000502624236 1005146585 /nfs/dbraw/zinc/14/65/85/1005146585.db2.gz VYEKFZYRWIWNMG-UHFFFAOYSA-N 2 2 420.473 3.539 20 5 HHBDLP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538805342 1007084356 /nfs/dbraw/zinc/08/43/56/1007084356.db2.gz RMUXMPHPQKNMIQ-UHFFFAOYSA-N 2 2 405.458 3.671 20 5 HHBDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000545178366 1010673459 /nfs/dbraw/zinc/67/34/59/1010673459.db2.gz MYLHSCBGHKBGIY-IRXDYDNUSA-N 2 2 411.502 3.708 20 5 HHBDLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522546610 1011073043 /nfs/dbraw/zinc/07/30/43/1011073043.db2.gz WHKTWIGLNKCXMS-MLGOLLRUSA-N 2 2 418.460 3.897 20 5 HHBDLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001127032272 1072151206 /nfs/dbraw/zinc/15/12/06/1072151206.db2.gz OYTDGQPBOVXSLF-UHFFFAOYSA-N 2 2 405.458 3.937 20 5 HHBDLP C[NH+](C)CCOc1cnccc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000588959867 1073358908 /nfs/dbraw/zinc/35/89/08/1073358908.db2.gz YEAVSQJPBMPBPH-HSZRJFAPSA-N 2 2 406.486 3.809 20 5 HHBDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3nc4sccn4c3[N+](=O)[O-])cc2)CC1 ZINC000301389790 970903825 /nfs/dbraw/zinc/90/38/25/970903825.db2.gz YOKNZXOCBLDHIZ-UHFFFAOYSA-N 2 2 400.508 3.826 20 5 HHBDLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430155585 977353481 /nfs/dbraw/zinc/35/34/81/977353481.db2.gz ZQKJWCSSBXTSFK-HSZRJFAPSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430155585 977353485 /nfs/dbraw/zinc/35/34/85/977353485.db2.gz ZQKJWCSSBXTSFK-HSZRJFAPSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430155585 977353489 /nfs/dbraw/zinc/35/34/89/977353489.db2.gz ZQKJWCSSBXTSFK-HSZRJFAPSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430155585 977353492 /nfs/dbraw/zinc/35/34/92/977353492.db2.gz ZQKJWCSSBXTSFK-HSZRJFAPSA-N 2 2 411.502 3.710 20 5 HHBDLP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cccc1[N+](=O)[O-] ZINC000434670076 980330523 /nfs/dbraw/zinc/33/05/23/980330523.db2.gz ONIAMBRPAZRQDP-MRXNPFEDSA-N 2 2 411.506 3.643 20 5 HHBDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386816 984224091 /nfs/dbraw/zinc/22/40/91/984224091.db2.gz XBIIFVNFNOGIAZ-VXKWHMMOSA-N 2 2 419.485 3.545 20 5 HHBDLP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000470149526 988057235 /nfs/dbraw/zinc/05/72/35/988057235.db2.gz ATPGCGZTZUZZOM-VQTJNVASSA-N 2 2 421.517 3.535 20 5 HHBDLP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000470149526 988057250 /nfs/dbraw/zinc/05/72/50/988057250.db2.gz ATPGCGZTZUZZOM-VQTJNVASSA-N 2 2 421.517 3.535 20 5 HHBDLP CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489354508 999750657 /nfs/dbraw/zinc/75/06/57/999750657.db2.gz AHNWAHBNCLMBAQ-UHFFFAOYSA-N 2 2 411.506 3.557 20 5 HHBDLP CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489354508 999750659 /nfs/dbraw/zinc/75/06/59/999750659.db2.gz AHNWAHBNCLMBAQ-UHFFFAOYSA-N 2 2 411.506 3.557 20 5 HHBDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000489422169 999764023 /nfs/dbraw/zinc/76/40/23/999764023.db2.gz LFEBYWALRLBGNL-KRWDZBQOSA-N 2 2 411.506 3.555 20 5 HHBDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000489422169 999764025 /nfs/dbraw/zinc/76/40/25/999764025.db2.gz LFEBYWALRLBGNL-KRWDZBQOSA-N 2 2 411.506 3.555 20 5 HHBDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505919535 1001101338 /nfs/dbraw/zinc/10/13/38/1001101338.db2.gz SFCCYCARFIGEMH-ROUUACIJSA-N 2 2 411.506 3.507 20 5 HHBDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505919535 1001101342 /nfs/dbraw/zinc/10/13/42/1001101342.db2.gz SFCCYCARFIGEMH-ROUUACIJSA-N 2 2 411.506 3.507 20 5 HHBDLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509390528 1003820112 /nfs/dbraw/zinc/82/01/12/1003820112.db2.gz WWCMVJTXXOHXCJ-UHFFFAOYSA-N 2 2 410.509 3.501 20 5 HHBDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509621912 1003986962 /nfs/dbraw/zinc/98/69/62/1003986962.db2.gz VIVPUHROEGJOQD-LEWJYISDSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509621912 1003986969 /nfs/dbraw/zinc/98/69/69/1003986969.db2.gz VIVPUHROEGJOQD-LEWJYISDSA-N 2 2 411.502 3.899 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503426746 1005416875 /nfs/dbraw/zinc/41/68/75/1005416875.db2.gz AZEOYZVUWNITSV-QGZVFWFLSA-N 2 2 411.506 3.644 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503426746 1005416877 /nfs/dbraw/zinc/41/68/77/1005416877.db2.gz AZEOYZVUWNITSV-QGZVFWFLSA-N 2 2 411.506 3.644 20 5 HHBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520207895 1009342482 /nfs/dbraw/zinc/34/24/82/1009342482.db2.gz PVUWPLIWYDBYRZ-GFCCVEGCSA-N 2 2 405.252 3.992 20 5 HHBDLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531821 1013475021 /nfs/dbraw/zinc/47/50/21/1013475021.db2.gz MTBXRORFNQRPCS-UONOGXRCSA-N 2 2 413.465 3.947 20 5 HHBDLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531821 1013475027 /nfs/dbraw/zinc/47/50/27/1013475027.db2.gz MTBXRORFNQRPCS-UONOGXRCSA-N 2 2 413.465 3.947 20 5 HHBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237241190 970247331 /nfs/dbraw/zinc/24/73/31/970247331.db2.gz GBYYQBVUOASULX-AWEZNQCLSA-N 2 2 419.444 3.755 20 5 HHBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237241190 970247336 /nfs/dbraw/zinc/24/73/36/970247336.db2.gz GBYYQBVUOASULX-AWEZNQCLSA-N 2 2 419.444 3.755 20 5 HHBDLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266728 979201391 /nfs/dbraw/zinc/20/13/91/979201391.db2.gz BDHPLEKBEOAGCD-LEOXJPRUSA-N 2 2 409.530 3.790 20 5 HHBDLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266728 979201396 /nfs/dbraw/zinc/20/13/96/979201396.db2.gz BDHPLEKBEOAGCD-LEOXJPRUSA-N 2 2 409.530 3.790 20 5 HHBDLP COc1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000469769373 987421450 /nfs/dbraw/zinc/42/14/50/987421450.db2.gz PCHBRBHXYLOEIW-BRLLKYFNSA-N 2 2 401.482 3.989 20 5 HHBDLP COc1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000469769373 987421453 /nfs/dbraw/zinc/42/14/53/987421453.db2.gz PCHBRBHXYLOEIW-BRLLKYFNSA-N 2 2 401.482 3.989 20 5 HHBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000479481117 999436759 /nfs/dbraw/zinc/43/67/59/999436759.db2.gz QUBUELNYRXBHHH-SJJHQCBESA-N 2 2 415.460 3.670 20 5 HHBDLP CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480630706 999845544 /nfs/dbraw/zinc/84/55/44/999845544.db2.gz NFHHRXHGKBOQJH-QFIPXVFZSA-N 2 2 410.518 3.613 20 5 HHBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505255851 1000649318 /nfs/dbraw/zinc/64/93/18/1000649318.db2.gz VVAOYIJRUGNCIM-UHFFFAOYSA-N 2 2 411.506 3.509 20 5 HHBDLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000512390021 1004264861 /nfs/dbraw/zinc/26/48/61/1004264861.db2.gz XGIZVZUVTHWTAB-UHFFFAOYSA-N 2 2 414.384 3.647 20 5 HHBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359111 1006321306 /nfs/dbraw/zinc/32/13/06/1006321306.db2.gz FSVIIBYYSVSFDD-WOJBJXKFSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359111 1006321314 /nfs/dbraw/zinc/32/13/14/1006321314.db2.gz FSVIIBYYSVSFDD-WOJBJXKFSA-N 2 2 422.957 3.657 20 5 HHBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777533 1007787198 /nfs/dbraw/zinc/78/71/98/1007787198.db2.gz GLUPBZKJSATFCN-NQIIRXRSSA-N 2 2 412.534 3.633 20 5 HHBDLP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000519089222 1008527406 /nfs/dbraw/zinc/52/74/06/1008527406.db2.gz BPHSNQHQQQZSKQ-MRXNPFEDSA-N 2 2 407.474 3.640 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)c(Br)c1 ZINC000236568379 970142082 /nfs/dbraw/zinc/14/20/82/970142082.db2.gz GYXZRVIKPQFJIE-UHFFFAOYSA-N 2 2 405.252 3.994 20 5 HHBDLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266730 979201807 /nfs/dbraw/zinc/20/18/07/979201807.db2.gz BDHPLEKBEOAGCD-TZYHBYERSA-N 2 2 409.530 3.790 20 5 HHBDLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266730 979201817 /nfs/dbraw/zinc/20/18/17/979201817.db2.gz BDHPLEKBEOAGCD-TZYHBYERSA-N 2 2 409.530 3.790 20 5 HHBDLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266729 979201868 /nfs/dbraw/zinc/20/18/68/979201868.db2.gz BDHPLEKBEOAGCD-NMNUPHIUSA-N 2 2 409.530 3.790 20 5 HHBDLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c2cc([N+](=O)[O-])ccc21 ZINC000433266729 979201878 /nfs/dbraw/zinc/20/18/78/979201878.db2.gz BDHPLEKBEOAGCD-NMNUPHIUSA-N 2 2 409.530 3.790 20 5 HHBDLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000434500084 980213735 /nfs/dbraw/zinc/21/37/35/980213735.db2.gz PYFQILGZVZPIKE-LJQANCHMSA-N 2 2 421.501 3.641 20 5 HHBDLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000434500084 980213739 /nfs/dbraw/zinc/21/37/39/980213739.db2.gz PYFQILGZVZPIKE-LJQANCHMSA-N 2 2 421.501 3.641 20 5 HHBDLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000434500084 980213743 /nfs/dbraw/zinc/21/37/43/980213743.db2.gz PYFQILGZVZPIKE-LJQANCHMSA-N 2 2 421.501 3.641 20 5 HHBDLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000434500084 980213747 /nfs/dbraw/zinc/21/37/47/980213747.db2.gz PYFQILGZVZPIKE-LJQANCHMSA-N 2 2 421.501 3.641 20 5 HHBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2([NH+]3CCSCC3)CCCCC2)n1 ZINC000472628905 993570527 /nfs/dbraw/zinc/57/05/27/993570527.db2.gz JYPVYGQLWZVCLZ-ROUUACIJSA-N 2 2 407.584 3.616 20 5 HHBDLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000473780094 994703239 /nfs/dbraw/zinc/70/32/39/994703239.db2.gz HYWLWFDLLKCRKI-RTWAWAEBSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000473780094 994703245 /nfs/dbraw/zinc/70/32/45/994703245.db2.gz HYWLWFDLLKCRKI-RTWAWAEBSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000489135673 999709395 /nfs/dbraw/zinc/70/93/95/999709395.db2.gz HSQWYTFKHDDPJJ-RTWAWAEBSA-N 2 2 423.561 3.893 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000489135673 999709397 /nfs/dbraw/zinc/70/93/97/999709397.db2.gz HSQWYTFKHDDPJJ-RTWAWAEBSA-N 2 2 423.561 3.893 20 5 HHBDLP C[NH+]1CCN(c2cc(C[NH2+][C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)ccn2)CC1 ZINC000490134740 999898200 /nfs/dbraw/zinc/89/82/00/999898200.db2.gz CQZOTHKLGXWNOL-DEOSSOPVSA-N 2 2 417.513 3.621 20 5 HHBDLP COc1cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491043052 1000038714 /nfs/dbraw/zinc/03/87/14/1000038714.db2.gz YRYUARMUFYPSDT-UHFFFAOYSA-N 2 2 418.400 3.723 20 5 HHBDLP CC1CC[NH+](C2CCC(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000505105855 1000553106 /nfs/dbraw/zinc/55/31/06/1000553106.db2.gz WRGYRTJCWQVTPE-UHFFFAOYSA-N 2 2 411.506 3.553 20 5 HHBDLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000500486151 1003743024 /nfs/dbraw/zinc/74/30/24/1003743024.db2.gz KUAIPINHBCSIDE-UHFFFAOYSA-N 2 2 418.925 3.559 20 5 HHBDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000512683803 1004490896 /nfs/dbraw/zinc/49/08/96/1004490896.db2.gz XRCMLEFDUOSLLY-KDURUIRLSA-N 2 2 412.534 3.845 20 5 HHBDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000512683803 1004490902 /nfs/dbraw/zinc/49/09/02/1004490902.db2.gz XRCMLEFDUOSLLY-KDURUIRLSA-N 2 2 412.534 3.845 20 5 HHBDLP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cccc1[N+](=O)[O-] ZINC000503377420 1005402325 /nfs/dbraw/zinc/40/23/25/1005402325.db2.gz LOYZOMASAWFZBW-KRWDZBQOSA-N 2 2 411.506 3.644 20 5 HHBDLP Cc1c(NC(=O)CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cccc1[N+](=O)[O-] ZINC000503377420 1005402327 /nfs/dbraw/zinc/40/23/27/1005402327.db2.gz LOYZOMASAWFZBW-KRWDZBQOSA-N 2 2 411.506 3.644 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503380963 1005403216 /nfs/dbraw/zinc/40/32/16/1005403216.db2.gz AKPITTVEXYXHND-MRXNPFEDSA-N 2 2 408.462 3.557 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503380963 1005403219 /nfs/dbraw/zinc/40/32/19/1005403219.db2.gz AKPITTVEXYXHND-MRXNPFEDSA-N 2 2 408.462 3.557 20 5 HHBDLP CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359498 1006323704 /nfs/dbraw/zinc/32/37/04/1006323704.db2.gz JTXREKIRQMOTHX-VQTJNVASSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359498 1006323711 /nfs/dbraw/zinc/32/37/11/1006323711.db2.gz JTXREKIRQMOTHX-VQTJNVASSA-N 2 2 422.957 3.657 20 5 HHBDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)[nH+]c2)C1 ZINC000533452900 1007766924 /nfs/dbraw/zinc/76/69/24/1007766924.db2.gz WDTIUEHTCCMPSU-LJQANCHMSA-N 2 2 424.530 3.866 20 5 HHBDLP COc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000520202624 1009339393 /nfs/dbraw/zinc/33/93/93/1009339393.db2.gz ZJTJLQHLPBEDKI-UHFFFAOYSA-N 2 2 417.428 3.509 20 5 HHBDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)CC1 ZINC000590168717 1073611473 /nfs/dbraw/zinc/61/14/73/1073611473.db2.gz IZJIGPVQVWKEPH-UHFFFAOYSA-N 2 2 414.472 3.604 20 5 HHBDLP CN(C(=O)c1cc2ccccc2c2cccnc12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474722 1075619311 /nfs/dbraw/zinc/61/93/11/1075619311.db2.gz QDADUBNWSCXSHG-FQEVSTJZSA-N 2 2 402.542 3.629 20 5 HHBDLP CN(C(=O)c1cc2ccccc2c2cccnc12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474722 1075619313 /nfs/dbraw/zinc/61/93/13/1075619313.db2.gz QDADUBNWSCXSHG-FQEVSTJZSA-N 2 2 402.542 3.629 20 5 HHBDLP CCc1ccc([C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481715 1013429681 /nfs/dbraw/zinc/42/96/81/1013429681.db2.gz APVWJVRRXQSELL-FYYLOGMGSA-N 2 2 414.550 3.701 20 5 HHBDLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032140421 966194805 /nfs/dbraw/zinc/19/48/05/966194805.db2.gz SDUCZQPWIFSSQU-OAQYLSRUSA-N 2 2 407.474 3.593 20 5 HHBDLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000434689882 980341955 /nfs/dbraw/zinc/34/19/55/980341955.db2.gz YEEWELKQNINBNS-UHFFFAOYSA-N 2 2 417.897 3.599 20 5 HHBDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379778 984220251 /nfs/dbraw/zinc/22/02/51/984220251.db2.gz DWTUYGKAMCMHCS-UWJYYQICSA-N 2 2 407.474 3.766 20 5 HHBDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384348 984222988 /nfs/dbraw/zinc/22/29/88/984222988.db2.gz NQQCDILROAXZBB-UWJYYQICSA-N 2 2 407.474 3.766 20 5 HHBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190868 994023208 /nfs/dbraw/zinc/02/32/08/994023208.db2.gz PNVGGRCTIHZRIE-CRAIPNDOSA-N 2 2 416.909 3.687 20 5 HHBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190868 994023212 /nfs/dbraw/zinc/02/32/12/994023212.db2.gz PNVGGRCTIHZRIE-CRAIPNDOSA-N 2 2 416.909 3.687 20 5 HHBDLP CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000483526166 996233283 /nfs/dbraw/zinc/23/32/83/996233283.db2.gz OVFNJLBPJXCDOO-UHFFFAOYSA-N 2 2 423.473 3.753 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478057962 998741063 /nfs/dbraw/zinc/74/10/63/998741063.db2.gz YKVSZSYAIZOWPE-SFHVURJKSA-N 2 2 402.539 3.818 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478057962 998741069 /nfs/dbraw/zinc/74/10/69/998741069.db2.gz YKVSZSYAIZOWPE-SFHVURJKSA-N 2 2 402.539 3.818 20 5 HHBDLP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000494587720 1000565976 /nfs/dbraw/zinc/56/59/76/1000565976.db2.gz SXCKHRHJCYZURX-UHFFFAOYSA-N 2 2 419.444 3.943 20 5 HHBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508101583 1002626518 /nfs/dbraw/zinc/62/65/18/1002626518.db2.gz JTGQAIRJVFJOOY-LEWJYISDSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508101583 1002626524 /nfs/dbraw/zinc/62/65/24/1002626524.db2.gz JTGQAIRJVFJOOY-LEWJYISDSA-N 2 2 411.502 3.899 20 5 HHBDLP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)C[C@H](C)O1 ZINC000512181805 1004084620 /nfs/dbraw/zinc/08/46/20/1004084620.db2.gz QHYRUQYYWFSQRG-GJZGRUSLSA-N 2 2 413.465 3.517 20 5 HHBDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000545178365 1010673617 /nfs/dbraw/zinc/67/36/17/1010673617.db2.gz MYLHSCBGHKBGIY-IAGOWNOFSA-N 2 2 411.502 3.708 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000541055247 1011696216 /nfs/dbraw/zinc/69/62/16/1011696216.db2.gz XEVCSMBOBLPEEV-JENIJYKNSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000541055247 1011696219 /nfs/dbraw/zinc/69/62/19/1011696219.db2.gz XEVCSMBOBLPEEV-JENIJYKNSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000541055247 1011696223 /nfs/dbraw/zinc/69/62/23/1011696223.db2.gz XEVCSMBOBLPEEV-JENIJYKNSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000541055247 1011696230 /nfs/dbraw/zinc/69/62/30/1011696230.db2.gz XEVCSMBOBLPEEV-JENIJYKNSA-N 2 2 405.539 3.944 20 5 HHBDLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032478577 966267982 /nfs/dbraw/zinc/26/79/82/966267982.db2.gz SSZSLVUTQZKYFU-UHFFFAOYSA-N 2 2 411.506 3.699 20 5 HHBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745867 966945663 /nfs/dbraw/zinc/94/56/63/966945663.db2.gz QKTROFZYLIUGMH-UHFFFAOYSA-N 2 2 411.506 3.509 20 5 HHBDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236623091 970148166 /nfs/dbraw/zinc/14/81/66/970148166.db2.gz LKWYWYPZBMPIKT-IBGZPJMESA-N 2 2 417.481 3.709 20 5 HHBDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379773 984219774 /nfs/dbraw/zinc/21/97/74/984219774.db2.gz DWTUYGKAMCMHCS-UTKZUKDTSA-N 2 2 407.474 3.766 20 5 HHBDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384346 984223144 /nfs/dbraw/zinc/22/31/44/984223144.db2.gz NQQCDILROAXZBB-UTKZUKDTSA-N 2 2 407.474 3.766 20 5 HHBDLP CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812341 989046419 /nfs/dbraw/zinc/04/64/19/989046419.db2.gz XBKGFGCGGXYJKA-UHFFFAOYSA-N 2 2 422.489 3.778 20 5 HHBDLP CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812341 989046433 /nfs/dbraw/zinc/04/64/33/989046433.db2.gz XBKGFGCGGXYJKA-UHFFFAOYSA-N 2 2 422.489 3.778 20 5 HHBDLP Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000480212784 999746871 /nfs/dbraw/zinc/74/68/71/999746871.db2.gz ZHMUZTDSLVIBDK-INIZCTEOSA-N 2 2 410.478 3.634 20 5 HHBDLP Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000480212784 999746873 /nfs/dbraw/zinc/74/68/73/999746873.db2.gz ZHMUZTDSLVIBDK-INIZCTEOSA-N 2 2 410.478 3.634 20 5 HHBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000504894633 1000433581 /nfs/dbraw/zinc/43/35/81/1000433581.db2.gz NFGRZDMNQZGHPJ-WMQCIHAUSA-N 2 2 413.518 3.527 20 5 HHBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000504894633 1000433585 /nfs/dbraw/zinc/43/35/85/1000433585.db2.gz NFGRZDMNQZGHPJ-WMQCIHAUSA-N 2 2 413.518 3.527 20 5 HHBDLP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cccc1[N+](=O)[O-] ZINC000503377422 1005402306 /nfs/dbraw/zinc/40/23/06/1005402306.db2.gz LOYZOMASAWFZBW-QGZVFWFLSA-N 2 2 411.506 3.644 20 5 HHBDLP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cccc1[N+](=O)[O-] ZINC000503377422 1005402307 /nfs/dbraw/zinc/40/23/07/1005402307.db2.gz LOYZOMASAWFZBW-QGZVFWFLSA-N 2 2 411.506 3.644 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503380962 1005403155 /nfs/dbraw/zinc/40/31/55/1005403155.db2.gz AKPITTVEXYXHND-INIZCTEOSA-N 2 2 408.462 3.557 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503380962 1005403157 /nfs/dbraw/zinc/40/31/57/1005403157.db2.gz AKPITTVEXYXHND-INIZCTEOSA-N 2 2 408.462 3.557 20 5 HHBDLP O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000549798933 1009406454 /nfs/dbraw/zinc/40/64/54/1009406454.db2.gz YLAJZRTUUCNEML-UHFFFAOYSA-N 2 2 401.429 3.548 20 5 HHBDLP CC1CC[NH+]([C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000548761195 1010724621 /nfs/dbraw/zinc/72/46/21/1010724621.db2.gz RABPRSNIJTUINY-JOCHJYFZSA-N 2 2 410.518 3.986 20 5 HHBDLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522546608 1011072818 /nfs/dbraw/zinc/07/28/18/1011072818.db2.gz WHKTWIGLNKCXMS-BLLLJJGKSA-N 2 2 418.460 3.897 20 5 HHBDLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522546611 1011072866 /nfs/dbraw/zinc/07/28/66/1011072866.db2.gz WHKTWIGLNKCXMS-WBMJQRKESA-N 2 2 418.460 3.897 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000541055250 1011696461 /nfs/dbraw/zinc/69/64/61/1011696461.db2.gz XEVCSMBOBLPEEV-YQVWRLOYSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000541055250 1011696469 /nfs/dbraw/zinc/69/64/69/1011696469.db2.gz XEVCSMBOBLPEEV-YQVWRLOYSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000541055250 1011696475 /nfs/dbraw/zinc/69/64/75/1011696475.db2.gz XEVCSMBOBLPEEV-YQVWRLOYSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000541055250 1011696483 /nfs/dbraw/zinc/69/64/83/1011696483.db2.gz XEVCSMBOBLPEEV-YQVWRLOYSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000032666787 966306678 /nfs/dbraw/zinc/30/66/78/966306678.db2.gz IFZXPHADQJBZMQ-IBGZPJMESA-N 2 2 413.503 3.655 20 5 HHBDLP Cn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237778729 970364715 /nfs/dbraw/zinc/36/47/15/970364715.db2.gz VTQRDLLOPIWFNJ-UHFFFAOYSA-N 2 2 406.421 3.610 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)o2)cc1 ZINC000434690218 980342122 /nfs/dbraw/zinc/34/21/22/980342122.db2.gz FJOIJYXFXDBVSH-UHFFFAOYSA-N 2 2 408.462 3.557 20 5 HHBDLP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000470149527 988057725 /nfs/dbraw/zinc/05/77/25/988057725.db2.gz ATPGCGZTZUZZOM-WOJBJXKFSA-N 2 2 421.517 3.535 20 5 HHBDLP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000470149527 988057737 /nfs/dbraw/zinc/05/77/37/988057737.db2.gz ATPGCGZTZUZZOM-WOJBJXKFSA-N 2 2 421.517 3.535 20 5 HHBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481186790 994018726 /nfs/dbraw/zinc/01/87/26/994018726.db2.gz YFVPWCRTIOLKTB-QRFRQXIXSA-N 2 2 410.518 3.730 20 5 HHBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481186790 994018734 /nfs/dbraw/zinc/01/87/34/994018734.db2.gz YFVPWCRTIOLKTB-QRFRQXIXSA-N 2 2 410.518 3.730 20 5 HHBDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000512683804 1004490863 /nfs/dbraw/zinc/49/08/63/1004490863.db2.gz XRCMLEFDUOSLLY-OALUTQOASA-N 2 2 412.534 3.845 20 5 HHBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)CC1 ZINC000513456209 1004974368 /nfs/dbraw/zinc/97/43/68/1004974368.db2.gz OWYHSCUOJZFLFQ-QFIPXVFZSA-N 2 2 423.561 3.575 20 5 HHBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)CC1 ZINC000513456209 1004974373 /nfs/dbraw/zinc/97/43/73/1004974373.db2.gz OWYHSCUOJZFLFQ-QFIPXVFZSA-N 2 2 423.561 3.575 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000514820185 1006151475 /nfs/dbraw/zinc/15/14/75/1006151475.db2.gz PQLGBEUVUCRNCN-SFHVURJKSA-N 2 2 414.469 3.818 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535682455 1007713108 /nfs/dbraw/zinc/71/31/08/1007713108.db2.gz ZQPSUWUZOICMBK-UHFFFAOYSA-N 2 2 422.529 3.830 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535682455 1007713113 /nfs/dbraw/zinc/71/31/13/1007713113.db2.gz ZQPSUWUZOICMBK-UHFFFAOYSA-N 2 2 422.529 3.830 20 5 HHBDLP CC1CC[NH+]([C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000548761198 1010725249 /nfs/dbraw/zinc/72/52/49/1010725249.db2.gz RABPRSNIJTUINY-QFIPXVFZSA-N 2 2 410.518 3.986 20 5 HHBDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000537324582 1012781885 /nfs/dbraw/zinc/78/18/85/1012781885.db2.gz BYKZTIRNIRUSKJ-QGZVFWFLSA-N 2 2 420.517 3.706 20 5 HHBDLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531822 1013475164 /nfs/dbraw/zinc/47/51/64/1013475164.db2.gz MTBXRORFNQRPCS-ZIAGYGMSSA-N 2 2 413.465 3.947 20 5 HHBDLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531822 1013475166 /nfs/dbraw/zinc/47/51/66/1013475166.db2.gz MTBXRORFNQRPCS-ZIAGYGMSSA-N 2 2 413.465 3.947 20 5 HHBDLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237192857 970239076 /nfs/dbraw/zinc/23/90/76/970239076.db2.gz ZDNFLFJZROROGK-UHFFFAOYSA-N 2 2 412.515 3.949 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)s2)cc1 ZINC000237964408 970406567 /nfs/dbraw/zinc/40/65/67/970406567.db2.gz VNNVEVGALKCGDD-OAQYLSRUSA-N 2 2 423.538 3.832 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)s2)cc1 ZINC000237964408 970406580 /nfs/dbraw/zinc/40/65/80/970406580.db2.gz VNNVEVGALKCGDD-OAQYLSRUSA-N 2 2 423.538 3.832 20 5 HHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000237967686 970407572 /nfs/dbraw/zinc/40/75/72/970407572.db2.gz GEOIPHJFLKWRHE-LJQANCHMSA-N 2 2 423.538 3.832 20 5 HHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000237967686 970407581 /nfs/dbraw/zinc/40/75/81/970407581.db2.gz GEOIPHJFLKWRHE-LJQANCHMSA-N 2 2 423.538 3.832 20 5 HHBDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384342 984222969 /nfs/dbraw/zinc/22/29/69/984222969.db2.gz NQQCDILROAXZBB-DYESRHJHSA-N 2 2 407.474 3.766 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469766668 987419355 /nfs/dbraw/zinc/41/93/55/987419355.db2.gz WWSDCRCWUGLKGH-QZTJIDSGSA-N 2 2 410.518 3.588 20 5 HHBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487886078 999304718 /nfs/dbraw/zinc/30/47/18/999304718.db2.gz OITXFSCSYMRHPZ-SFHVURJKSA-N 2 2 411.506 3.509 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)o2)c(Cl)c1 ZINC000506063049 1001200021 /nfs/dbraw/zinc/20/00/21/1001200021.db2.gz AXPCMNDZQKMVJP-UHFFFAOYSA-N 2 2 418.925 3.722 20 5 HHBDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000512677233 1004486489 /nfs/dbraw/zinc/48/64/89/1004486489.db2.gz HXFUCOYMAHZSGT-KDURUIRLSA-N 2 2 412.534 3.845 20 5 HHBDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000512677233 1004486493 /nfs/dbraw/zinc/48/64/93/1004486493.db2.gz HXFUCOYMAHZSGT-KDURUIRLSA-N 2 2 412.534 3.845 20 5 HHBDLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510519860 1004644471 /nfs/dbraw/zinc/64/44/71/1004644471.db2.gz CZOSCRAZNOXNHD-IERDGZPVSA-N 2 2 407.474 3.510 20 5 HHBDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000502345178 1005024534 /nfs/dbraw/zinc/02/45/34/1005024534.db2.gz KRJHKXJXXFNOGR-HNNXBMFYSA-N 2 2 400.479 3.524 20 5 HHBDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000502345178 1005024536 /nfs/dbraw/zinc/02/45/36/1005024536.db2.gz KRJHKXJXXFNOGR-HNNXBMFYSA-N 2 2 400.479 3.524 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213326 1006207873 /nfs/dbraw/zinc/20/78/73/1006207873.db2.gz JENVYNYTPRDMEI-SFTDATJTSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213326 1006207880 /nfs/dbraw/zinc/20/78/80/1006207880.db2.gz JENVYNYTPRDMEI-SFTDATJTSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1[nH+]ccn1CCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000534215647 1006211258 /nfs/dbraw/zinc/21/12/58/1006211258.db2.gz GUWANRZXBQSDDH-UHFFFAOYSA-N 2 2 411.531 3.646 20 5 HHBDLP CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000537616705 1013157813 /nfs/dbraw/zinc/15/78/13/1013157813.db2.gz WFBSHBYELRUNMD-UHFFFAOYSA-N 2 2 414.506 3.746 20 5 HHBDLP CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000537616705 1013157816 /nfs/dbraw/zinc/15/78/16/1013157816.db2.gz WFBSHBYELRUNMD-UHFFFAOYSA-N 2 2 414.506 3.746 20 5 HHBDLP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052713738 964959976 /nfs/dbraw/zinc/95/99/76/964959976.db2.gz OTHKRYXYUIFXBJ-KRWDZBQOSA-N 2 2 418.538 3.518 20 5 HHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236854112 970180287 /nfs/dbraw/zinc/18/02/87/970180287.db2.gz VYBSOSNSTMBCPS-HDICACEKSA-N 2 2 413.518 3.893 20 5 HHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236854112 970180315 /nfs/dbraw/zinc/18/03/15/970180315.db2.gz VYBSOSNSTMBCPS-HDICACEKSA-N 2 2 413.518 3.893 20 5 HHBDLP COc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1O ZINC000237210425 970242440 /nfs/dbraw/zinc/24/24/40/970242440.db2.gz QVXROVOAETVFQS-UHFFFAOYSA-N 2 2 411.458 3.824 20 5 HHBDLP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1O ZINC000237210425 970242449 /nfs/dbraw/zinc/24/24/49/970242449.db2.gz QVXROVOAETVFQS-UHFFFAOYSA-N 2 2 411.458 3.824 20 5 HHBDLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000237234241 970246423 /nfs/dbraw/zinc/24/64/23/970246423.db2.gz GZRDZFPTOPCUKI-UHFFFAOYSA-N 2 2 408.424 3.655 20 5 HHBDLP Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2[N+](=O)[O-])cc1 ZINC000237872556 970385747 /nfs/dbraw/zinc/38/57/47/970385747.db2.gz BRKRHMQBEVTFSF-GOSISDBHSA-N 2 2 401.532 3.601 20 5 HHBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000429458917 976732605 /nfs/dbraw/zinc/73/26/05/976732605.db2.gz XKTKADKYKAOKJN-GOTSBHOMSA-N 2 2 409.530 3.797 20 5 HHBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000429458917 976732611 /nfs/dbraw/zinc/73/26/11/976732611.db2.gz XKTKADKYKAOKJN-GOTSBHOMSA-N 2 2 409.530 3.797 20 5 HHBDLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430129821 977336316 /nfs/dbraw/zinc/33/63/16/977336316.db2.gz IYCPDKYNQDBULE-QHCPKHFHSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430129821 977336322 /nfs/dbraw/zinc/33/63/22/977336322.db2.gz IYCPDKYNQDBULE-QHCPKHFHSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430129821 977336326 /nfs/dbraw/zinc/33/63/26/977336326.db2.gz IYCPDKYNQDBULE-QHCPKHFHSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430129821 977336334 /nfs/dbraw/zinc/33/63/34/977336334.db2.gz IYCPDKYNQDBULE-QHCPKHFHSA-N 2 2 411.502 3.710 20 5 HHBDLP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cccc1[N+](=O)[O-] ZINC000434670075 980330727 /nfs/dbraw/zinc/33/07/27/980330727.db2.gz ONIAMBRPAZRQDP-INIZCTEOSA-N 2 2 411.506 3.643 20 5 HHBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2([NH+]3CCSCC3)CCCCC2)n1 ZINC000472628906 993570461 /nfs/dbraw/zinc/57/04/61/993570461.db2.gz JYPVYGQLWZVCLZ-ZWKOTPCHSA-N 2 2 407.584 3.616 20 5 HHBDLP CCOc1cc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000475513862 996193914 /nfs/dbraw/zinc/19/39/14/996193914.db2.gz VEVSUJNBMPNATJ-UHFFFAOYSA-N 2 2 407.474 3.501 20 5 HHBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478037923 998728032 /nfs/dbraw/zinc/72/80/32/998728032.db2.gz BMKJHNLXCPZVBB-ZWKOTPCHSA-N 2 2 402.539 3.898 20 5 HHBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478037923 998728036 /nfs/dbraw/zinc/72/80/36/998728036.db2.gz BMKJHNLXCPZVBB-ZWKOTPCHSA-N 2 2 402.539 3.898 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478057960 998741242 /nfs/dbraw/zinc/74/12/42/998741242.db2.gz YKVSZSYAIZOWPE-GOSISDBHSA-N 2 2 402.539 3.818 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478057960 998741247 /nfs/dbraw/zinc/74/12/47/998741247.db2.gz YKVSZSYAIZOWPE-GOSISDBHSA-N 2 2 402.539 3.818 20 5 HHBDLP O=[N+]([O-])c1ccc(OC2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509656638 1004009245 /nfs/dbraw/zinc/00/92/45/1004009245.db2.gz JDSRYOYFQAPWMS-UHFFFAOYSA-N 2 2 424.545 3.650 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213324 1006207825 /nfs/dbraw/zinc/20/78/25/1006207825.db2.gz JENVYNYTPRDMEI-NHCUHLMSSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213324 1006207835 /nfs/dbraw/zinc/20/78/35/1006207835.db2.gz JENVYNYTPRDMEI-NHCUHLMSSA-N 2 2 417.554 3.704 20 5 HHBDLP CCc1ccc([C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481718 1013429609 /nfs/dbraw/zinc/42/96/09/1013429609.db2.gz APVWJVRRXQSELL-JTHBVZDNSA-N 2 2 414.550 3.701 20 5 HHBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713512 964960588 /nfs/dbraw/zinc/96/05/88/964960588.db2.gz NMIJYSONCOTCTK-KRWDZBQOSA-N 2 2 418.538 3.518 20 5 HHBDLP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032047417 966183231 /nfs/dbraw/zinc/18/32/31/966183231.db2.gz HETZBWQHCDOTHP-UHFFFAOYSA-N 2 2 407.474 3.552 20 5 HHBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000429458915 976732868 /nfs/dbraw/zinc/73/28/68/976732868.db2.gz XKTKADKYKAOKJN-DHIUTWEWSA-N 2 2 409.530 3.797 20 5 HHBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000429458915 976732878 /nfs/dbraw/zinc/73/28/78/976732878.db2.gz XKTKADKYKAOKJN-DHIUTWEWSA-N 2 2 409.530 3.797 20 5 HHBDLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430155586 977353563 /nfs/dbraw/zinc/35/35/63/977353563.db2.gz ZQKJWCSSBXTSFK-QHCPKHFHSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430155586 977353567 /nfs/dbraw/zinc/35/35/67/977353567.db2.gz ZQKJWCSSBXTSFK-QHCPKHFHSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430155586 977353572 /nfs/dbraw/zinc/35/35/72/977353572.db2.gz ZQKJWCSSBXTSFK-QHCPKHFHSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430155586 977353576 /nfs/dbraw/zinc/35/35/76/977353576.db2.gz ZQKJWCSSBXTSFK-QHCPKHFHSA-N 2 2 411.502 3.710 20 5 HHBDLP O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)c1 ZINC000434687542 980339378 /nfs/dbraw/zinc/33/93/78/980339378.db2.gz DNAIPSLMNRDTHW-UHFFFAOYSA-N 2 2 408.462 3.557 20 5 HHBDLP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c([N+](=O)[O-])cc1OC ZINC000435061486 980605399 /nfs/dbraw/zinc/60/53/99/980605399.db2.gz ZWJVHEBGKLBSMT-UHFFFAOYSA-N 2 2 400.479 3.524 20 5 HHBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470654570 988670568 /nfs/dbraw/zinc/67/05/68/988670568.db2.gz UNRQLWNYHOLLAJ-FQEVSTJZSA-N 2 2 419.485 3.517 20 5 HHBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470654570 988670576 /nfs/dbraw/zinc/67/05/76/988670576.db2.gz UNRQLWNYHOLLAJ-FQEVSTJZSA-N 2 2 419.485 3.517 20 5 HHBDLP CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808604 989040883 /nfs/dbraw/zinc/04/08/83/989040883.db2.gz XOUYCTWCEXTGFP-UHFFFAOYSA-N 2 2 422.489 3.778 20 5 HHBDLP CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808604 989040897 /nfs/dbraw/zinc/04/08/97/989040897.db2.gz XOUYCTWCEXTGFP-UHFFFAOYSA-N 2 2 422.489 3.778 20 5 HHBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170279 994001111 /nfs/dbraw/zinc/00/11/11/994001111.db2.gz OWXBNNTZJLEDFF-DNVCBOLYSA-N 2 2 416.909 3.687 20 5 HHBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481170279 994001125 /nfs/dbraw/zinc/00/11/25/994001125.db2.gz OWXBNNTZJLEDFF-DNVCBOLYSA-N 2 2 416.909 3.687 20 5 HHBDLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475334439 996075917 /nfs/dbraw/zinc/07/59/17/996075917.db2.gz JZUTUKCUKLEEQS-OYRHEFFESA-N 2 2 417.513 3.559 20 5 HHBDLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475334439 996075925 /nfs/dbraw/zinc/07/59/25/996075925.db2.gz JZUTUKCUKLEEQS-OYRHEFFESA-N 2 2 417.513 3.559 20 5 HHBDLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475334439 996075930 /nfs/dbraw/zinc/07/59/30/996075930.db2.gz JZUTUKCUKLEEQS-OYRHEFFESA-N 2 2 417.513 3.559 20 5 HHBDLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475334439 996075938 /nfs/dbraw/zinc/07/59/38/996075938.db2.gz JZUTUKCUKLEEQS-OYRHEFFESA-N 2 2 417.513 3.559 20 5 HHBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000479481116 999436246 /nfs/dbraw/zinc/43/62/46/999436246.db2.gz QUBUELNYRXBHHH-GQGLESIBSA-N 2 2 415.460 3.670 20 5 HHBDLP COc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000512280091 1004180966 /nfs/dbraw/zinc/18/09/66/1004180966.db2.gz UVOYCYUGUDPNLK-QHCPKHFHSA-N 2 2 411.502 3.580 20 5 HHBDLP COc1ccc(OCC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000512280091 1004180979 /nfs/dbraw/zinc/18/09/79/1004180979.db2.gz UVOYCYUGUDPNLK-QHCPKHFHSA-N 2 2 411.502 3.580 20 5 HHBDLP COc1ccc(OCC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000512280091 1004180987 /nfs/dbraw/zinc/18/09/87/1004180987.db2.gz UVOYCYUGUDPNLK-QHCPKHFHSA-N 2 2 411.502 3.580 20 5 HHBDLP COc1ccc(OCC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000512280091 1004180993 /nfs/dbraw/zinc/18/09/93/1004180993.db2.gz UVOYCYUGUDPNLK-QHCPKHFHSA-N 2 2 411.502 3.580 20 5 HHBDLP O=[N+]([O-])c1ccc(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510932790 1004940943 /nfs/dbraw/zinc/94/09/43/1004940943.db2.gz BUIXUIDOPOJSPV-UHFFFAOYSA-N 2 2 419.279 3.892 20 5 HHBDLP O=[N+]([O-])c1ccc(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510932790 1004940950 /nfs/dbraw/zinc/94/09/50/1004940950.db2.gz BUIXUIDOPOJSPV-UHFFFAOYSA-N 2 2 419.279 3.892 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000514820183 1006151882 /nfs/dbraw/zinc/15/18/82/1006151882.db2.gz PQLGBEUVUCRNCN-GOSISDBHSA-N 2 2 414.469 3.818 20 5 HHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000539515646 1007825777 /nfs/dbraw/zinc/82/57/77/1007825777.db2.gz QYRDGBCAOIICEK-HSZRJFAPSA-N 2 2 407.470 3.581 20 5 HHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000539515646 1007825786 /nfs/dbraw/zinc/82/57/86/1007825786.db2.gz QYRDGBCAOIICEK-HSZRJFAPSA-N 2 2 407.470 3.581 20 5 HHBDLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000303639674 971919335 /nfs/dbraw/zinc/91/93/35/971919335.db2.gz HGXIMQWACYELEX-QGZVFWFLSA-N 2 2 419.485 3.736 20 5 HHBDLP Cn1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237775512 970363554 /nfs/dbraw/zinc/36/35/54/970363554.db2.gz HMXGDKPIONPGRX-UHFFFAOYSA-N 2 2 402.458 3.530 20 5 HHBDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430919486 977887447 /nfs/dbraw/zinc/88/74/47/977887447.db2.gz QRKNREUIUMYTAQ-UHFFFAOYSA-N 3 2 408.974 3.876 20 5 HHBDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430919486 977887451 /nfs/dbraw/zinc/88/74/51/977887451.db2.gz QRKNREUIUMYTAQ-UHFFFAOYSA-N 3 2 408.974 3.876 20 5 HHBDLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461934756 984940795 /nfs/dbraw/zinc/94/07/95/984940795.db2.gz LGRIMOQMDIYXQY-CQSZACIVSA-N 2 2 400.445 3.527 20 5 HHBDLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461934756 984940799 /nfs/dbraw/zinc/94/07/99/984940799.db2.gz LGRIMOQMDIYXQY-CQSZACIVSA-N 2 2 400.445 3.527 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469766669 987419222 /nfs/dbraw/zinc/41/92/22/987419222.db2.gz WWSDCRCWUGLKGH-ROUUACIJSA-N 2 2 410.518 3.588 20 5 HHBDLP CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000464692377 988900836 /nfs/dbraw/zinc/90/08/36/988900836.db2.gz RHNQRXMRRJAYDG-UHFFFAOYSA-N 2 2 402.470 3.876 20 5 HHBDLP CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000464692377 988900854 /nfs/dbraw/zinc/90/08/54/988900854.db2.gz RHNQRXMRRJAYDG-UHFFFAOYSA-N 2 2 402.470 3.876 20 5 HHBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000481186788 994018312 /nfs/dbraw/zinc/01/83/12/994018312.db2.gz YFVPWCRTIOLKTB-KPFFTGBYSA-N 2 2 410.518 3.730 20 5 HHBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000481186788 994018319 /nfs/dbraw/zinc/01/83/19/994018319.db2.gz YFVPWCRTIOLKTB-KPFFTGBYSA-N 2 2 410.518 3.730 20 5 HHBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478056880 998740177 /nfs/dbraw/zinc/74/01/77/998740177.db2.gz YOHNZZMEYOYSFO-QGZVFWFLSA-N 2 2 418.538 3.518 20 5 HHBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478056880 998740181 /nfs/dbraw/zinc/74/01/81/998740181.db2.gz YOHNZZMEYOYSFO-QGZVFWFLSA-N 2 2 418.538 3.518 20 5 HHBDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000489422171 999764082 /nfs/dbraw/zinc/76/40/82/999764082.db2.gz LFEBYWALRLBGNL-QGZVFWFLSA-N 2 2 411.506 3.555 20 5 HHBDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000489422171 999764083 /nfs/dbraw/zinc/76/40/83/999764083.db2.gz LFEBYWALRLBGNL-QGZVFWFLSA-N 2 2 411.506 3.555 20 5 HHBDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505919534 1001101477 /nfs/dbraw/zinc/10/14/77/1001101477.db2.gz SFCCYCARFIGEMH-QZTJIDSGSA-N 2 2 411.506 3.507 20 5 HHBDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505919534 1001101481 /nfs/dbraw/zinc/10/14/81/1001101481.db2.gz SFCCYCARFIGEMH-QZTJIDSGSA-N 2 2 411.506 3.507 20 5 HHBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508101585 1002626217 /nfs/dbraw/zinc/62/62/17/1002626217.db2.gz JTGQAIRJVFJOOY-NHCUHLMSSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508101585 1002626224 /nfs/dbraw/zinc/62/62/24/1002626224.db2.gz JTGQAIRJVFJOOY-NHCUHLMSSA-N 2 2 411.502 3.899 20 5 HHBDLP C[NH+](C)C1CCN(c2ccc(N[C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)[nH+]c2)CC1 ZINC000539691001 1008009694 /nfs/dbraw/zinc/00/96/94/1008009694.db2.gz UEAVAWXMPUKRAA-OAQYLSRUSA-N 2 2 409.534 3.953 20 5 HHBDLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545475847 1008582137 /nfs/dbraw/zinc/58/21/37/1008582137.db2.gz QECZDAISSSZWTE-FQEVSTJZSA-N 2 2 419.485 3.517 20 5 HHBDLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545475847 1008582155 /nfs/dbraw/zinc/58/21/55/1008582155.db2.gz QECZDAISSSZWTE-FQEVSTJZSA-N 2 2 419.485 3.517 20 5 HHBDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000520974059 1010016182 /nfs/dbraw/zinc/01/61/82/1010016182.db2.gz QEGQRTKJACBWLB-OAQYLSRUSA-N 2 2 412.534 3.545 20 5 HHBDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000537324580 1012781353 /nfs/dbraw/zinc/78/13/53/1012781353.db2.gz BYKZTIRNIRUSKJ-KRWDZBQOSA-N 2 2 420.517 3.706 20 5 HHBDLP O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000555422770 1073447278 /nfs/dbraw/zinc/44/72/78/1073447278.db2.gz FVJOYKWEWNZMNY-UHFFFAOYSA-N 2 2 415.456 3.938 20 5 HHBDLP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237108921 970224097 /nfs/dbraw/zinc/22/40/97/970224097.db2.gz ODAWXZCYLCYWCB-UHFFFAOYSA-N 2 2 419.444 3.897 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)cc1 ZINC000434684894 980338028 /nfs/dbraw/zinc/33/80/28/980338028.db2.gz LIDGJVAZLYHPFR-UHFFFAOYSA-N 2 2 408.462 3.557 20 5 HHBDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386815 984224001 /nfs/dbraw/zinc/22/40/01/984224001.db2.gz XBIIFVNFNOGIAZ-FGZHOGPDSA-N 2 2 419.485 3.545 20 5 HHBDLP COc1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000469769377 987421460 /nfs/dbraw/zinc/42/14/60/987421460.db2.gz PCHBRBHXYLOEIW-HOTGVXAUSA-N 2 2 401.482 3.989 20 5 HHBDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000491302586 1000063079 /nfs/dbraw/zinc/06/30/79/1000063079.db2.gz CREXMXGPYMKWCG-XMMPIXPASA-N 2 2 417.513 3.621 20 5 HHBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000504894634 1000433649 /nfs/dbraw/zinc/43/36/49/1000433649.db2.gz NFGRZDMNQZGHPJ-YYWHXJBOSA-N 2 2 413.518 3.527 20 5 HHBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000504894634 1000433654 /nfs/dbraw/zinc/43/36/54/1000433654.db2.gz NFGRZDMNQZGHPJ-YYWHXJBOSA-N 2 2 413.518 3.527 20 5 HHBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567885 1003950005 /nfs/dbraw/zinc/95/00/05/1003950005.db2.gz GXDFXUOOMSVNBR-WOJBJXKFSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567885 1003950007 /nfs/dbraw/zinc/95/00/07/1003950007.db2.gz GXDFXUOOMSVNBR-WOJBJXKFSA-N 2 2 411.502 3.899 20 5 HHBDLP CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359492 1006323782 /nfs/dbraw/zinc/32/37/82/1006323782.db2.gz JTXREKIRQMOTHX-PMACEKPBSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359492 1006323794 /nfs/dbraw/zinc/32/37/94/1006323794.db2.gz JTXREKIRQMOTHX-PMACEKPBSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649344 1007959959 /nfs/dbraw/zinc/95/99/59/1007959959.db2.gz MLLRLOWYSXNEDN-RTBURBONSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649344 1007959964 /nfs/dbraw/zinc/95/99/64/1007959964.db2.gz MLLRLOWYSXNEDN-RTBURBONSA-N 2 2 422.957 3.657 20 5 HHBDLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545475848 1008582529 /nfs/dbraw/zinc/58/25/29/1008582529.db2.gz QECZDAISSSZWTE-HXUWFJFHSA-N 2 2 419.485 3.517 20 5 HHBDLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545475848 1008582550 /nfs/dbraw/zinc/58/25/50/1008582550.db2.gz QECZDAISSSZWTE-HXUWFJFHSA-N 2 2 419.485 3.517 20 5 HHBDLP Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)cc2[N+](=O)[O-])c1 ZINC000545148604 1010649310 /nfs/dbraw/zinc/64/93/10/1010649310.db2.gz PHPKRNNLPNCYHO-HSZRJFAPSA-N 2 2 413.518 3.975 20 5 HHBDLP Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)cc2[N+](=O)[O-])c1 ZINC000545148604 1010649316 /nfs/dbraw/zinc/64/93/16/1010649316.db2.gz PHPKRNNLPNCYHO-HSZRJFAPSA-N 2 2 413.518 3.975 20 5 HHBDLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000536451085 1011669482 /nfs/dbraw/zinc/66/94/82/1011669482.db2.gz VUTDDSWMQBWISS-LEWJYISDSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000536451085 1011669493 /nfs/dbraw/zinc/66/94/93/1011669493.db2.gz VUTDDSWMQBWISS-LEWJYISDSA-N 2 2 417.554 3.704 20 5 HHBDLP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000062228421 966627375 /nfs/dbraw/zinc/62/73/75/966627375.db2.gz LCPOBKBHBGUGLW-HXUWFJFHSA-N 2 2 419.485 3.565 20 5 HHBDLP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000062228421 966627386 /nfs/dbraw/zinc/62/73/86/966627386.db2.gz LCPOBKBHBGUGLW-HXUWFJFHSA-N 2 2 419.485 3.565 20 5 HHBDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000434989827 980553622 /nfs/dbraw/zinc/55/36/22/980553622.db2.gz FQUZEXJSUYDLCJ-UHFFFAOYSA-N 2 2 419.909 3.929 20 5 HHBDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000434989827 980553623 /nfs/dbraw/zinc/55/36/23/980553623.db2.gz FQUZEXJSUYDLCJ-UHFFFAOYSA-N 2 2 419.909 3.929 20 5 HHBDLP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000470149525 988056953 /nfs/dbraw/zinc/05/69/53/988056953.db2.gz ATPGCGZTZUZZOM-UXHICEINSA-N 2 2 421.517 3.535 20 5 HHBDLP CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000470149525 988056965 /nfs/dbraw/zinc/05/69/65/988056965.db2.gz ATPGCGZTZUZZOM-UXHICEINSA-N 2 2 421.517 3.535 20 5 HHBDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489333348 999747517 /nfs/dbraw/zinc/74/75/17/999747517.db2.gz RJCXFKYAPDZFEF-KRWDZBQOSA-N 2 2 411.506 3.555 20 5 HHBDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489333348 999747519 /nfs/dbraw/zinc/74/75/19/999747519.db2.gz RJCXFKYAPDZFEF-KRWDZBQOSA-N 2 2 411.506 3.555 20 5 HHBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499483844 1002871756 /nfs/dbraw/zinc/87/17/56/1002871756.db2.gz FZKVKEPZWWIWEQ-UHFFFAOYSA-N 2 2 419.485 3.517 20 5 HHBDLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)C[C@H](C)O1 ZINC000512181796 1004084201 /nfs/dbraw/zinc/08/42/01/1004084201.db2.gz QHYRUQYYWFSQRG-GASCZTMLSA-N 2 2 413.465 3.517 20 5 HHBDLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)C[C@H](C)O1 ZINC000512181796 1004084213 /nfs/dbraw/zinc/08/42/13/1004084213.db2.gz QHYRUQYYWFSQRG-GASCZTMLSA-N 2 2 413.465 3.517 20 5 HHBDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000512677238 1004486198 /nfs/dbraw/zinc/48/61/98/1004486198.db2.gz HXFUCOYMAHZSGT-RTBURBONSA-N 2 2 412.534 3.845 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000503381909 1005403708 /nfs/dbraw/zinc/40/37/08/1005403708.db2.gz GDOJAFPFPHBBHF-MRXNPFEDSA-N 2 2 408.462 3.557 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000503381909 1005403710 /nfs/dbraw/zinc/40/37/10/1005403710.db2.gz GDOJAFPFPHBBHF-MRXNPFEDSA-N 2 2 408.462 3.557 20 5 HHBDLP CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649339 1007959929 /nfs/dbraw/zinc/95/99/29/1007959929.db2.gz MLLRLOWYSXNEDN-MOPGFXCFSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649339 1007959936 /nfs/dbraw/zinc/95/99/36/1007959936.db2.gz MLLRLOWYSXNEDN-MOPGFXCFSA-N 2 2 422.957 3.657 20 5 HHBDLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427490311 975144765 /nfs/dbraw/zinc/14/47/65/975144765.db2.gz JLZOHQSRJIGTSS-UHFFFAOYSA-N 2 2 405.458 3.937 20 5 HHBDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378729 984219263 /nfs/dbraw/zinc/21/92/63/984219263.db2.gz OINYGMZPOIAEMM-FXAWDEMLSA-N 2 2 407.474 3.766 20 5 HHBDLP Cc1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461785698 984777998 /nfs/dbraw/zinc/77/79/98/984777998.db2.gz LMCYTMWEAUYWLV-UHFFFAOYSA-N 2 2 400.445 3.893 20 5 HHBDLP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000443587389 985763258 /nfs/dbraw/zinc/76/32/58/985763258.db2.gz AKLSOXIUBWZTNY-UHFFFAOYSA-N 2 2 408.930 3.775 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478054075 998738561 /nfs/dbraw/zinc/73/85/61/998738561.db2.gz PATPQNIZHWTTES-GOSISDBHSA-N 2 2 402.539 3.818 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478054075 998738565 /nfs/dbraw/zinc/73/85/65/998738565.db2.gz PATPQNIZHWTTES-GOSISDBHSA-N 2 2 402.539 3.818 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503426745 1005416914 /nfs/dbraw/zinc/41/69/14/1005416914.db2.gz AZEOYZVUWNITSV-KRWDZBQOSA-N 2 2 411.506 3.644 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503426745 1005416916 /nfs/dbraw/zinc/41/69/16/1005416916.db2.gz AZEOYZVUWNITSV-KRWDZBQOSA-N 2 2 411.506 3.644 20 5 HHBDLP CCOc1ccc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777534 1007787366 /nfs/dbraw/zinc/78/73/66/1007787366.db2.gz GLUPBZKJSATFCN-RXVVDRJESA-N 2 2 412.534 3.633 20 5 HHBDLP Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)cc2[N+](=O)[O-])c1 ZINC000545148605 1010648849 /nfs/dbraw/zinc/64/88/49/1010648849.db2.gz PHPKRNNLPNCYHO-QHCPKHFHSA-N 2 2 413.518 3.975 20 5 HHBDLP Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)cc2[N+](=O)[O-])c1 ZINC000545148605 1010648854 /nfs/dbraw/zinc/64/88/54/1010648854.db2.gz PHPKRNNLPNCYHO-QHCPKHFHSA-N 2 2 413.518 3.975 20 5 HHBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000545178367 1010673724 /nfs/dbraw/zinc/67/37/24/1010673724.db2.gz MYLHSCBGHKBGIY-YPGOJHLTSA-N 2 2 411.502 3.708 20 5 HHBDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000545178367 1010673729 /nfs/dbraw/zinc/67/37/29/1010673729.db2.gz MYLHSCBGHKBGIY-YPGOJHLTSA-N 2 2 411.502 3.708 20 5 HHBDLP CCc1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301104933 970750538 /nfs/dbraw/zinc/75/05/38/970750538.db2.gz LBXFECUBXXSHRU-UHFFFAOYSA-N 2 2 424.549 3.585 20 5 HHBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)CC1 ZINC000301123727 970759624 /nfs/dbraw/zinc/75/96/24/970759624.db2.gz SACUQVNSARSSNW-UHFFFAOYSA-N 2 2 422.529 3.796 20 5 HHBDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000491302585 1000063122 /nfs/dbraw/zinc/06/31/22/1000063122.db2.gz CREXMXGPYMKWCG-DEOSSOPVSA-N 2 2 417.513 3.621 20 5 HHBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494465842 1000506649 /nfs/dbraw/zinc/50/66/49/1000506649.db2.gz OCPSMWWRCHRHML-LJQANCHMSA-N 2 2 414.469 3.749 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213325 1006207970 /nfs/dbraw/zinc/20/79/70/1006207970.db2.gz JENVYNYTPRDMEI-RTWAWAEBSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213325 1006207977 /nfs/dbraw/zinc/20/79/77/1006207977.db2.gz JENVYNYTPRDMEI-RTWAWAEBSA-N 2 2 417.554 3.704 20 5 HHBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359108 1006321369 /nfs/dbraw/zinc/32/13/69/1006321369.db2.gz FSVIIBYYSVSFDD-VQTJNVASSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359108 1006321377 /nfs/dbraw/zinc/32/13/77/1006321377.db2.gz FSVIIBYYSVSFDD-VQTJNVASSA-N 2 2 422.957 3.657 20 5 HHBDLP CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861927 1008146166 /nfs/dbraw/zinc/14/61/66/1008146166.db2.gz AOGGTOQLYINTDE-LJQANCHMSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861927 1008146170 /nfs/dbraw/zinc/14/61/70/1008146170.db2.gz AOGGTOQLYINTDE-LJQANCHMSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539861927 1008146174 /nfs/dbraw/zinc/14/61/74/1008146174.db2.gz AOGGTOQLYINTDE-LJQANCHMSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539861927 1008146180 /nfs/dbraw/zinc/14/61/80/1008146180.db2.gz AOGGTOQLYINTDE-LJQANCHMSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861926 1008146639 /nfs/dbraw/zinc/14/66/39/1008146639.db2.gz AOGGTOQLYINTDE-IBGZPJMESA-N 2 2 413.518 3.956 20 5 HHBDLP CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861926 1008146645 /nfs/dbraw/zinc/14/66/45/1008146645.db2.gz AOGGTOQLYINTDE-IBGZPJMESA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539861926 1008146649 /nfs/dbraw/zinc/14/66/49/1008146649.db2.gz AOGGTOQLYINTDE-IBGZPJMESA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539861926 1008146653 /nfs/dbraw/zinc/14/66/53/1008146653.db2.gz AOGGTOQLYINTDE-IBGZPJMESA-N 2 2 413.518 3.956 20 5 HHBDLP Cn1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549179594 1008752031 /nfs/dbraw/zinc/75/20/31/1008752031.db2.gz TZMRLHWKDQRBTO-UHFFFAOYSA-N 2 2 402.458 3.530 20 5 HHBDLP CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000540772623 1011429629 /nfs/dbraw/zinc/42/96/29/1011429629.db2.gz KXPUWDGUOIXUQT-UHFFFAOYSA-N 2 2 422.595 3.585 20 5 HHBDLP CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540772623 1011429638 /nfs/dbraw/zinc/42/96/38/1011429638.db2.gz KXPUWDGUOIXUQT-UHFFFAOYSA-N 2 2 422.595 3.585 20 5 HHBDLP CCc1ccc([C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481716 1013429829 /nfs/dbraw/zinc/42/98/29/1013429829.db2.gz APVWJVRRXQSELL-GGAORHGYSA-N 2 2 414.550 3.701 20 5 HHBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000238063501 970431884 /nfs/dbraw/zinc/43/18/84/970431884.db2.gz IKKBNBLDKNNWCC-KRWDZBQOSA-N 2 2 405.882 3.587 20 5 HHBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000429458918 976733020 /nfs/dbraw/zinc/73/30/20/976733020.db2.gz XKTKADKYKAOKJN-PKTZIBPZSA-N 2 2 409.530 3.797 20 5 HHBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000429458918 976733032 /nfs/dbraw/zinc/73/30/32/976733032.db2.gz XKTKADKYKAOKJN-PKTZIBPZSA-N 2 2 409.530 3.797 20 5 HHBDLP C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000430619308 977656969 /nfs/dbraw/zinc/65/69/69/977656969.db2.gz AYMVVOFEQKJIMW-XLIONFOSSA-N 2 2 419.485 3.563 20 5 HHBDLP C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000430619308 977656977 /nfs/dbraw/zinc/65/69/77/977656977.db2.gz AYMVVOFEQKJIMW-XLIONFOSSA-N 2 2 419.485 3.563 20 5 HHBDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378730 984219327 /nfs/dbraw/zinc/21/93/27/984219327.db2.gz OINYGMZPOIAEMM-PXNSSMCTSA-N 2 2 407.474 3.766 20 5 HHBDLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461935229 984940856 /nfs/dbraw/zinc/94/08/56/984940856.db2.gz JNPAPFHKRRIKST-XYPWUTKMSA-N 2 2 412.456 3.669 20 5 HHBDLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461935229 984940861 /nfs/dbraw/zinc/94/08/61/984940861.db2.gz JNPAPFHKRRIKST-XYPWUTKMSA-N 2 2 412.456 3.669 20 5 HHBDLP CCOc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000492661005 1000137553 /nfs/dbraw/zinc/13/75/53/1000137553.db2.gz ZLTYTZRZSYOPOA-UHFFFAOYSA-N 3 2 418.582 3.622 20 5 HHBDLP CCOc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000492661005 1000137555 /nfs/dbraw/zinc/13/75/55/1000137555.db2.gz ZLTYTZRZSYOPOA-UHFFFAOYSA-N 3 2 418.582 3.622 20 5 HHBDLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3csc([N+](=O)[O-])c3)CC2)c1C ZINC000509037598 1003507486 /nfs/dbraw/zinc/50/74/86/1003507486.db2.gz JMRMJGHFRORNHF-UHFFFAOYSA-N 2 2 404.536 3.773 20 5 HHBDLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3csc([N+](=O)[O-])c3)CC2)c1C ZINC000509037598 1003507500 /nfs/dbraw/zinc/50/75/00/1003507500.db2.gz JMRMJGHFRORNHF-UHFFFAOYSA-N 2 2 404.536 3.773 20 5 HHBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567880 1003950139 /nfs/dbraw/zinc/95/01/39/1003950139.db2.gz GXDFXUOOMSVNBR-UXHICEINSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567880 1003950144 /nfs/dbraw/zinc/95/01/44/1003950144.db2.gz GXDFXUOOMSVNBR-UXHICEINSA-N 2 2 411.502 3.899 20 5 HHBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000538752332 1007037273 /nfs/dbraw/zinc/03/72/73/1007037273.db2.gz ZOCJCBRKCQLFNN-FQEVSTJZSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000538752332 1007037285 /nfs/dbraw/zinc/03/72/85/1007037285.db2.gz ZOCJCBRKCQLFNN-FQEVSTJZSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000538752332 1007037298 /nfs/dbraw/zinc/03/72/98/1007037298.db2.gz ZOCJCBRKCQLFNN-FQEVSTJZSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000538752332 1007037310 /nfs/dbraw/zinc/03/73/10/1007037310.db2.gz ZOCJCBRKCQLFNN-FQEVSTJZSA-N 2 2 413.518 3.956 20 5 HHBDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000520974058 1010016785 /nfs/dbraw/zinc/01/67/85/1010016785.db2.gz QEGQRTKJACBWLB-NRFANRHFSA-N 2 2 412.534 3.545 20 5 HHBDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542000051 1012879792 /nfs/dbraw/zinc/87/97/92/1012879792.db2.gz JVPJLMZZOWVNTO-UHFFFAOYSA-N 3 2 408.974 3.876 20 5 HHBDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542000051 1012879810 /nfs/dbraw/zinc/87/98/10/1012879810.db2.gz JVPJLMZZOWVNTO-UHFFFAOYSA-N 3 2 408.974 3.876 20 5 HHBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684434 1071802402 /nfs/dbraw/zinc/80/24/02/1071802402.db2.gz PMGKBGLJVQEEFY-PKOBYXMFSA-N 2 2 417.893 3.993 20 5 HHBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684434 1071802414 /nfs/dbraw/zinc/80/24/14/1071802414.db2.gz PMGKBGLJVQEEFY-PKOBYXMFSA-N 2 2 417.893 3.993 20 5 HHBDLP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000054032328 965360598 /nfs/dbraw/zinc/36/05/98/965360598.db2.gz ONZIDKNRMBHNBZ-UHFFFAOYSA-N 2 2 407.474 3.552 20 5 HHBDLP Cc1ccc(Sc2ccc(C[NH2+]CCC[NH+]3CCC(O)CC3)cc2[N+](=O)[O-])cc1 ZINC000237872082 970385735 /nfs/dbraw/zinc/38/57/35/970385735.db2.gz YWHDSRVXQGCFDX-UHFFFAOYSA-N 2 2 415.559 3.991 20 5 HHBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000237962579 970406200 /nfs/dbraw/zinc/40/62/00/970406200.db2.gz IKKBNBLDKNNWCC-QGZVFWFLSA-N 2 2 405.882 3.587 20 5 HHBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1Oc1ccccc1Cl ZINC000238063728 970432176 /nfs/dbraw/zinc/43/21/76/970432176.db2.gz IIUSQHICAUKHKW-INIZCTEOSA-N 2 2 405.882 3.587 20 5 HHBDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386814 984224121 /nfs/dbraw/zinc/22/41/21/984224121.db2.gz XBIIFVNFNOGIAZ-FCHUYYIVSA-N 2 2 419.485 3.545 20 5 HHBDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489284531 999736851 /nfs/dbraw/zinc/73/68/51/999736851.db2.gz BIESTRSHFUUTFY-QGZVFWFLSA-N 2 2 411.506 3.555 20 5 HHBDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489284531 999736853 /nfs/dbraw/zinc/73/68/53/999736853.db2.gz BIESTRSHFUUTFY-QGZVFWFLSA-N 2 2 411.506 3.555 20 5 HHBDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489284530 999736880 /nfs/dbraw/zinc/73/68/80/999736880.db2.gz BIESTRSHFUUTFY-KRWDZBQOSA-N 2 2 411.506 3.555 20 5 HHBDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489284530 999736882 /nfs/dbraw/zinc/73/68/82/999736882.db2.gz BIESTRSHFUUTFY-KRWDZBQOSA-N 2 2 411.506 3.555 20 5 HHBDLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)C[C@@H](C)O1 ZINC000512181807 1004084341 /nfs/dbraw/zinc/08/43/41/1004084341.db2.gz QHYRUQYYWFSQRG-HUUCEWRRSA-N 2 2 413.465 3.517 20 5 HHBDLP C[N@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC[NH+](CCO)CC1 ZINC000513517783 1005001551 /nfs/dbraw/zinc/00/15/51/1005001551.db2.gz BAXZPJPKAIOVPD-UHFFFAOYSA-N 2 2 419.909 3.929 20 5 HHBDLP C[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC[NH+](CCO)CC1 ZINC000513517783 1005001563 /nfs/dbraw/zinc/00/15/63/1005001563.db2.gz BAXZPJPKAIOVPD-UHFFFAOYSA-N 2 2 419.909 3.929 20 5 HHBDLP CCOc1ccc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777535 1007787724 /nfs/dbraw/zinc/78/77/24/1007787724.db2.gz GLUPBZKJSATFCN-WIYYLYMNSA-N 2 2 412.534 3.633 20 5 HHBDLP CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649341 1007959292 /nfs/dbraw/zinc/95/92/92/1007959292.db2.gz MLLRLOWYSXNEDN-OALUTQOASA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649341 1007959309 /nfs/dbraw/zinc/95/93/09/1007959309.db2.gz MLLRLOWYSXNEDN-OALUTQOASA-N 2 2 422.957 3.657 20 5 HHBDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000540408377 1008420504 /nfs/dbraw/zinc/42/05/04/1008420504.db2.gz HXKCGIAWVVJLGR-OAHLLOKOSA-N 2 2 404.461 3.866 20 5 HHBDLP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000519089221 1008527215 /nfs/dbraw/zinc/52/72/15/1008527215.db2.gz BPHSNQHQQQZSKQ-INIZCTEOSA-N 2 2 407.474 3.640 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549165503 1008738372 /nfs/dbraw/zinc/73/83/72/1008738372.db2.gz KOFGFAHMYAPCDV-OAQYLSRUSA-N 2 2 410.518 3.732 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549165503 1008738387 /nfs/dbraw/zinc/73/83/87/1008738387.db2.gz KOFGFAHMYAPCDV-OAQYLSRUSA-N 2 2 410.518 3.732 20 5 HHBDLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000032666788 966306298 /nfs/dbraw/zinc/30/62/98/966306298.db2.gz IFZXPHADQJBZMQ-LJQANCHMSA-N 2 2 413.503 3.655 20 5 HHBDLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237463615 970292910 /nfs/dbraw/zinc/29/29/10/970292910.db2.gz KAKHPXIHQSYEDM-GOSISDBHSA-N 2 2 411.502 3.756 20 5 HHBDLP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237463615 970292917 /nfs/dbraw/zinc/29/29/17/970292917.db2.gz KAKHPXIHQSYEDM-GOSISDBHSA-N 2 2 411.502 3.756 20 5 HHBDLP Cn1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237780140 970364780 /nfs/dbraw/zinc/36/47/80/970364780.db2.gz TWWXJEZAJRCPII-UHFFFAOYSA-N 2 2 402.458 3.530 20 5 HHBDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379766 984219538 /nfs/dbraw/zinc/21/95/38/984219538.db2.gz DWTUYGKAMCMHCS-DYESRHJHSA-N 2 2 407.474 3.766 20 5 HHBDLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000502314476 1005007242 /nfs/dbraw/zinc/00/72/42/1005007242.db2.gz ULPOSFUYQSOACW-GOSISDBHSA-N 2 2 420.517 3.908 20 5 HHBDLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000502314476 1005007245 /nfs/dbraw/zinc/00/72/45/1005007245.db2.gz ULPOSFUYQSOACW-GOSISDBHSA-N 2 2 420.517 3.908 20 5 HHBDLP C[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC[NH+](CCO)CC1 ZINC000513531715 1005008243 /nfs/dbraw/zinc/00/82/43/1005008243.db2.gz YNKIEDJJLPYDMU-UHFFFAOYSA-N 2 2 419.909 3.929 20 5 HHBDLP C[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC[NH+](CCO)CC1 ZINC000513531715 1005008249 /nfs/dbraw/zinc/00/82/49/1005008249.db2.gz YNKIEDJJLPYDMU-UHFFFAOYSA-N 2 2 419.909 3.929 20 5 HHBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850423 1008139135 /nfs/dbraw/zinc/13/91/35/1008139135.db2.gz NCUPTSZZYVRTCB-FQEVSTJZSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850423 1008139138 /nfs/dbraw/zinc/13/91/38/1008139138.db2.gz NCUPTSZZYVRTCB-FQEVSTJZSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850423 1008139143 /nfs/dbraw/zinc/13/91/43/1008139143.db2.gz NCUPTSZZYVRTCB-FQEVSTJZSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850423 1008139145 /nfs/dbraw/zinc/13/91/45/1008139145.db2.gz NCUPTSZZYVRTCB-FQEVSTJZSA-N 2 2 413.518 3.956 20 5 HHBDLP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000588959870 1073358942 /nfs/dbraw/zinc/35/89/42/1073358942.db2.gz YEAVSQJPBMPBPH-QHCPKHFHSA-N 2 2 406.486 3.809 20 5 HHBDLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531819 1013475054 /nfs/dbraw/zinc/47/50/54/1013475054.db2.gz MTBXRORFNQRPCS-KBPBESRZSA-N 2 2 413.465 3.947 20 5 HHBDLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531819 1013475058 /nfs/dbraw/zinc/47/50/58/1013475058.db2.gz MTBXRORFNQRPCS-KBPBESRZSA-N 2 2 413.465 3.947 20 5 HHBDLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000237234518 970246375 /nfs/dbraw/zinc/24/63/75/970246375.db2.gz VHTIAWPEFLEHJQ-UHFFFAOYSA-N 2 2 414.453 3.717 20 5 HHBDLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237765826 970360450 /nfs/dbraw/zinc/36/04/50/970360450.db2.gz FWXLGIWYDWJCOG-QFIPXVFZSA-N 2 2 405.502 3.750 20 5 HHBDLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237765826 970360475 /nfs/dbraw/zinc/36/04/75/970360475.db2.gz FWXLGIWYDWJCOG-QFIPXVFZSA-N 2 2 405.502 3.750 20 5 HHBDLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461934754 984940946 /nfs/dbraw/zinc/94/09/46/984940946.db2.gz LGRIMOQMDIYXQY-AWEZNQCLSA-N 2 2 400.445 3.527 20 5 HHBDLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461934754 984940949 /nfs/dbraw/zinc/94/09/49/984940949.db2.gz LGRIMOQMDIYXQY-AWEZNQCLSA-N 2 2 400.445 3.527 20 5 HHBDLP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000443589403 985765650 /nfs/dbraw/zinc/76/56/50/985765650.db2.gz DORTWIBQKCCCGP-UHFFFAOYSA-N 2 2 408.930 3.775 20 5 HHBDLP COc1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000469769378 987421316 /nfs/dbraw/zinc/42/13/16/987421316.db2.gz PCHBRBHXYLOEIW-HZPDHXFCSA-N 2 2 401.482 3.989 20 5 HHBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2([NH+]3CCSCC3)CCCCC2)n1 ZINC000472628903 993570351 /nfs/dbraw/zinc/57/03/51/993570351.db2.gz JYPVYGQLWZVCLZ-MSOLQXFVSA-N 2 2 407.584 3.616 20 5 HHBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190871 994023295 /nfs/dbraw/zinc/02/32/95/994023295.db2.gz PNVGGRCTIHZRIE-YJBOKZPZSA-N 2 2 416.909 3.687 20 5 HHBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481190871 994023305 /nfs/dbraw/zinc/02/33/05/994023305.db2.gz PNVGGRCTIHZRIE-YJBOKZPZSA-N 2 2 416.909 3.687 20 5 HHBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478037922 998728164 /nfs/dbraw/zinc/72/81/64/998728164.db2.gz BMKJHNLXCPZVBB-ROUUACIJSA-N 2 2 402.539 3.898 20 5 HHBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478037922 998728166 /nfs/dbraw/zinc/72/81/66/998728166.db2.gz BMKJHNLXCPZVBB-ROUUACIJSA-N 2 2 402.539 3.898 20 5 HHBDLP CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000500072023 1003424044 /nfs/dbraw/zinc/42/40/44/1003424044.db2.gz BGEIEKHGWGSVSS-UHFFFAOYSA-N 2 2 411.506 3.557 20 5 HHBDLP CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000500072023 1003424051 /nfs/dbraw/zinc/42/40/51/1003424051.db2.gz BGEIEKHGWGSVSS-UHFFFAOYSA-N 2 2 411.506 3.557 20 5 HHBDLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000502314477 1005007332 /nfs/dbraw/zinc/00/73/32/1005007332.db2.gz ULPOSFUYQSOACW-SFHVURJKSA-N 2 2 420.517 3.908 20 5 HHBDLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000502314477 1005007335 /nfs/dbraw/zinc/00/73/35/1005007335.db2.gz ULPOSFUYQSOACW-SFHVURJKSA-N 2 2 420.517 3.908 20 5 HHBDLP CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000534361069 1006326438 /nfs/dbraw/zinc/32/64/38/1006326438.db2.gz DEPRNUZWKPEZQH-NHCUHLMSSA-N 2 2 416.566 3.566 20 5 HHBDLP CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000534361069 1006326443 /nfs/dbraw/zinc/32/64/43/1006326443.db2.gz DEPRNUZWKPEZQH-NHCUHLMSSA-N 2 2 416.566 3.566 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549163151 1008734511 /nfs/dbraw/zinc/73/45/11/1008734511.db2.gz YFDBDPLKQKTRCO-OAQYLSRUSA-N 2 2 410.518 3.732 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549163151 1008734525 /nfs/dbraw/zinc/73/45/25/1008734525.db2.gz YFDBDPLKQKTRCO-OAQYLSRUSA-N 2 2 410.518 3.732 20 5 HHBDLP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531820 1013475304 /nfs/dbraw/zinc/47/53/04/1013475304.db2.gz MTBXRORFNQRPCS-KGLIPLIRSA-N 2 2 413.465 3.947 20 5 HHBDLP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542531820 1013475305 /nfs/dbraw/zinc/47/53/05/1013475305.db2.gz MTBXRORFNQRPCS-KGLIPLIRSA-N 2 2 413.465 3.947 20 5 HHBDLP CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000105713249 969257918 /nfs/dbraw/zinc/25/79/18/969257918.db2.gz QSEVKPRHBZEUGO-UHFFFAOYSA-N 2 2 423.473 3.753 20 5 HHBDLP COCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000237124874 970227205 /nfs/dbraw/zinc/22/72/05/970227205.db2.gz IKZWPKSCAMLEEK-UHFFFAOYSA-N 2 2 403.454 3.727 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469766667 987419265 /nfs/dbraw/zinc/41/92/65/987419265.db2.gz WWSDCRCWUGLKGH-OEWRPIJISA-N 2 2 410.518 3.588 20 5 HHBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469766667 987419272 /nfs/dbraw/zinc/41/92/72/987419272.db2.gz WWSDCRCWUGLKGH-OEWRPIJISA-N 2 2 410.518 3.588 20 5 HHBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2([NH+]3CCSCC3)CCCCC2)n1 ZINC000472628904 993570273 /nfs/dbraw/zinc/57/02/73/993570273.db2.gz JYPVYGQLWZVCLZ-QZTJIDSGSA-N 2 2 407.584 3.616 20 5 HHBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000481186787 994018603 /nfs/dbraw/zinc/01/86/03/994018603.db2.gz YFVPWCRTIOLKTB-IMFGXOCKSA-N 2 2 410.518 3.730 20 5 HHBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000481186787 994018616 /nfs/dbraw/zinc/01/86/16/994018616.db2.gz YFVPWCRTIOLKTB-IMFGXOCKSA-N 2 2 410.518 3.730 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478054076 998738441 /nfs/dbraw/zinc/73/84/41/998738441.db2.gz PATPQNIZHWTTES-SFHVURJKSA-N 2 2 402.539 3.818 20 5 HHBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478054076 998738446 /nfs/dbraw/zinc/73/84/46/998738446.db2.gz PATPQNIZHWTTES-SFHVURJKSA-N 2 2 402.539 3.818 20 5 HHBDLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490178189 999905485 /nfs/dbraw/zinc/90/54/85/999905485.db2.gz JZARIQBWZDUPNF-HSZRJFAPSA-N 2 2 417.513 3.621 20 5 HHBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000507721832 1002309622 /nfs/dbraw/zinc/30/96/22/1002309622.db2.gz RHSPQJJCSOHJMS-UHFFFAOYSA-N 2 2 413.465 3.521 20 5 HHBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567882 1003950072 /nfs/dbraw/zinc/95/00/72/1003950072.db2.gz GXDFXUOOMSVNBR-VQTJNVASSA-N 2 2 411.502 3.899 20 5 HHBDLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509567882 1003950076 /nfs/dbraw/zinc/95/00/76/1003950076.db2.gz GXDFXUOOMSVNBR-VQTJNVASSA-N 2 2 411.502 3.899 20 5 HHBDLP CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000534361071 1006325530 /nfs/dbraw/zinc/32/55/30/1006325530.db2.gz DEPRNUZWKPEZQH-SFTDATJTSA-N 2 2 416.566 3.566 20 5 HHBDLP CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000534361071 1006325538 /nfs/dbraw/zinc/32/55/38/1006325538.db2.gz DEPRNUZWKPEZQH-SFTDATJTSA-N 2 2 416.566 3.566 20 5 HHBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850427 1008139158 /nfs/dbraw/zinc/13/91/58/1008139158.db2.gz NCUPTSZZYVRTCB-HXUWFJFHSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850427 1008139161 /nfs/dbraw/zinc/13/91/61/1008139161.db2.gz NCUPTSZZYVRTCB-HXUWFJFHSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850427 1008139166 /nfs/dbraw/zinc/13/91/66/1008139166.db2.gz NCUPTSZZYVRTCB-HXUWFJFHSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000539850427 1008139169 /nfs/dbraw/zinc/13/91/69/1008139169.db2.gz NCUPTSZZYVRTCB-HXUWFJFHSA-N 2 2 413.518 3.956 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000541055249 1011696377 /nfs/dbraw/zinc/69/63/77/1011696377.db2.gz XEVCSMBOBLPEEV-SCTDSRPQSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000541055249 1011696385 /nfs/dbraw/zinc/69/63/85/1011696385.db2.gz XEVCSMBOBLPEEV-SCTDSRPQSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000541055249 1011696391 /nfs/dbraw/zinc/69/63/91/1011696391.db2.gz XEVCSMBOBLPEEV-SCTDSRPQSA-N 2 2 405.539 3.944 20 5 HHBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000541055249 1011696397 /nfs/dbraw/zinc/69/63/97/1011696397.db2.gz XEVCSMBOBLPEEV-SCTDSRPQSA-N 2 2 405.539 3.944 20 5 HHBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684432 1071801760 /nfs/dbraw/zinc/80/17/60/1071801760.db2.gz PMGKBGLJVQEEFY-IEBWSBKVSA-N 2 2 417.893 3.993 20 5 HHBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684432 1071801771 /nfs/dbraw/zinc/80/17/71/1071801771.db2.gz PMGKBGLJVQEEFY-IEBWSBKVSA-N 2 2 417.893 3.993 20 5 HHBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237277017 970253334 /nfs/dbraw/zinc/25/33/34/970253334.db2.gz GBYYQBVUOASULX-CQSZACIVSA-N 2 2 419.444 3.755 20 5 HHBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237277017 970253342 /nfs/dbraw/zinc/25/33/42/970253342.db2.gz GBYYQBVUOASULX-CQSZACIVSA-N 2 2 419.444 3.755 20 5 HHBDLP Cc1ccc(Sc2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2[N+](=O)[O-])cc1 ZINC000237872905 970385594 /nfs/dbraw/zinc/38/55/94/970385594.db2.gz BRKRHMQBEVTFSF-SFHVURJKSA-N 2 2 401.532 3.601 20 5 HHBDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378732 984218927 /nfs/dbraw/zinc/21/89/27/984218927.db2.gz OINYGMZPOIAEMM-YLJYHZDGSA-N 2 2 407.474 3.766 20 5 HHBDLP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000478051626 998737008 /nfs/dbraw/zinc/73/70/08/998737008.db2.gz CIRINUNYLYGMEX-QGZVFWFLSA-N 2 2 418.538 3.518 20 5 HHBDLP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000478051626 998737010 /nfs/dbraw/zinc/73/70/10/998737010.db2.gz CIRINUNYLYGMEX-QGZVFWFLSA-N 2 2 418.538 3.518 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000489135667 999709342 /nfs/dbraw/zinc/70/93/42/999709342.db2.gz HSQWYTFKHDDPJJ-LEWJYISDSA-N 2 2 423.561 3.893 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000489135667 999709346 /nfs/dbraw/zinc/70/93/46/999709346.db2.gz HSQWYTFKHDDPJJ-LEWJYISDSA-N 2 2 423.561 3.893 20 5 HHBDLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490178190 999905479 /nfs/dbraw/zinc/90/54/79/999905479.db2.gz JZARIQBWZDUPNF-QHCPKHFHSA-N 2 2 417.513 3.621 20 5 HHBDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505919536 1001101186 /nfs/dbraw/zinc/10/11/86/1001101186.db2.gz SFCCYCARFIGEMH-ZWKOTPCHSA-N 2 2 411.506 3.507 20 5 HHBDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505919536 1001101210 /nfs/dbraw/zinc/10/12/10/1001101210.db2.gz SFCCYCARFIGEMH-ZWKOTPCHSA-N 2 2 411.506 3.507 20 5 HHBDLP CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359500 1006323038 /nfs/dbraw/zinc/32/30/38/1006323038.db2.gz JTXREKIRQMOTHX-WOJBJXKFSA-N 2 2 422.957 3.657 20 5 HHBDLP CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359500 1006323048 /nfs/dbraw/zinc/32/30/48/1006323048.db2.gz JTXREKIRQMOTHX-WOJBJXKFSA-N 2 2 422.957 3.657 20 5 HHBDLP CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000534361068 1006325661 /nfs/dbraw/zinc/32/56/61/1006325661.db2.gz DEPRNUZWKPEZQH-LEWJYISDSA-N 2 2 416.566 3.566 20 5 HHBDLP CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000534361068 1006325673 /nfs/dbraw/zinc/32/56/73/1006325673.db2.gz DEPRNUZWKPEZQH-LEWJYISDSA-N 2 2 416.566 3.566 20 5 HHBDLP C[NH+](C)C1CCN(c2ccc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)[nH+]c2)CC1 ZINC000532675133 1007088307 /nfs/dbraw/zinc/08/83/07/1007088307.db2.gz VBEQNPJHLHGRRM-UHFFFAOYSA-N 2 2 421.448 3.734 20 5 HHBDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)[nH+]c2)C1 ZINC000533452899 1007766845 /nfs/dbraw/zinc/76/68/45/1007766845.db2.gz WDTIUEHTCCMPSU-IBGZPJMESA-N 2 2 424.530 3.866 20 5 HHBDLP CCOc1ccc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777532 1007787747 /nfs/dbraw/zinc/78/77/47/1007787747.db2.gz GLUPBZKJSATFCN-GHTZIAJQSA-N 2 2 412.534 3.633 20 5 HHBDLP C[NH+](C)C1CCN(c2ccc(N[C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)[nH+]c2)CC1 ZINC000539691000 1008009520 /nfs/dbraw/zinc/00/95/20/1008009520.db2.gz UEAVAWXMPUKRAA-NRFANRHFSA-N 2 2 409.534 3.953 20 5 HHBDLP O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032050330 966183157 /nfs/dbraw/zinc/18/31/57/966183157.db2.gz RJJLTUPQJJTMCA-UHFFFAOYSA-N 2 2 419.485 3.696 20 5 HHBDLP Cc1ccc([C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000109505019 969525881 /nfs/dbraw/zinc/52/58/81/969525881.db2.gz WVYIFHDAALMOLF-JOCHJYFZSA-N 2 2 419.485 3.656 20 5 HHBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000236854056 970180642 /nfs/dbraw/zinc/18/06/42/970180642.db2.gz VYBSOSNSTMBCPS-QZTJIDSGSA-N 2 2 413.518 3.893 20 5 HHBDLP COc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237113316 970224782 /nfs/dbraw/zinc/22/47/82/970224782.db2.gz XPJKIDXYOMEFCI-UHFFFAOYSA-N 2 2 419.444 3.755 20 5 HHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cs2)c1 ZINC000238008183 970417390 /nfs/dbraw/zinc/41/73/90/970417390.db2.gz CPJZIMQTHRUCFA-UHFFFAOYSA-N 2 2 424.526 3.840 20 5 HHBDLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430129819 977336276 /nfs/dbraw/zinc/33/62/76/977336276.db2.gz IYCPDKYNQDBULE-HSZRJFAPSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430129819 977336282 /nfs/dbraw/zinc/33/62/82/977336282.db2.gz IYCPDKYNQDBULE-HSZRJFAPSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430129819 977336286 /nfs/dbraw/zinc/33/62/86/977336286.db2.gz IYCPDKYNQDBULE-HSZRJFAPSA-N 2 2 411.502 3.710 20 5 HHBDLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430129819 977336294 /nfs/dbraw/zinc/33/62/94/977336294.db2.gz IYCPDKYNQDBULE-HSZRJFAPSA-N 2 2 411.502 3.710 20 5 HHBDLP CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809088 989042364 /nfs/dbraw/zinc/04/23/64/989042364.db2.gz YJFNWPPELDWKDX-UHFFFAOYSA-N 2 2 414.506 3.616 20 5 HHBDLP CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809088 989042375 /nfs/dbraw/zinc/04/23/75/989042375.db2.gz YJFNWPPELDWKDX-UHFFFAOYSA-N 2 2 414.506 3.616 20 5 HHBDLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000473780091 994702690 /nfs/dbraw/zinc/70/26/90/994702690.db2.gz HYWLWFDLLKCRKI-LEWJYISDSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000473780091 994702700 /nfs/dbraw/zinc/70/27/00/994702700.db2.gz HYWLWFDLLKCRKI-LEWJYISDSA-N 2 2 417.554 3.704 20 5 HHBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)CC1 ZINC000485399296 997829362 /nfs/dbraw/zinc/82/93/62/997829362.db2.gz BKTLXQOGHGRZAJ-UHFFFAOYSA-N 2 2 413.497 3.766 20 5 HHBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478037920 998727944 /nfs/dbraw/zinc/72/79/44/998727944.db2.gz BMKJHNLXCPZVBB-MSOLQXFVSA-N 2 2 402.539 3.898 20 5 HHBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478037920 998727949 /nfs/dbraw/zinc/72/79/49/998727949.db2.gz BMKJHNLXCPZVBB-MSOLQXFVSA-N 2 2 402.539 3.898 20 5 HHBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487886075 999304760 /nfs/dbraw/zinc/30/47/60/999304760.db2.gz OITXFSCSYMRHPZ-GOSISDBHSA-N 2 2 411.506 3.509 20 5 HHBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000479481115 999436180 /nfs/dbraw/zinc/43/61/80/999436180.db2.gz QUBUELNYRXBHHH-BHUNQDJPSA-N 2 2 415.460 3.670 20 5 HHBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000504894632 1000433824 /nfs/dbraw/zinc/43/38/24/1000433824.db2.gz NFGRZDMNQZGHPJ-IOMROCGXSA-N 2 2 413.518 3.527 20 5 HHBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000504894632 1000433831 /nfs/dbraw/zinc/43/38/31/1000433831.db2.gz NFGRZDMNQZGHPJ-IOMROCGXSA-N 2 2 413.518 3.527 20 5 HHBDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000512677236 1004486132 /nfs/dbraw/zinc/48/61/32/1004486132.db2.gz HXFUCOYMAHZSGT-OALUTQOASA-N 2 2 412.534 3.845 20 5 HHBDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000512683805 1004490618 /nfs/dbraw/zinc/49/06/18/1004490618.db2.gz XRCMLEFDUOSLLY-RTBURBONSA-N 2 2 412.534 3.845 20 5 HHBDLP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510519867 1004644412 /nfs/dbraw/zinc/64/44/12/1004644412.db2.gz CZOSCRAZNOXNHD-KKSFZXQISA-N 2 2 407.474 3.510 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213323 1006207666 /nfs/dbraw/zinc/20/76/66/1006207666.db2.gz JENVYNYTPRDMEI-LEWJYISDSA-N 2 2 417.554 3.704 20 5 HHBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213323 1006207676 /nfs/dbraw/zinc/20/76/76/1006207676.db2.gz JENVYNYTPRDMEI-LEWJYISDSA-N 2 2 417.554 3.704 20 5 HHBDLP COc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517786268 1007968149 /nfs/dbraw/zinc/96/81/49/1007968149.db2.gz RCJKJGQAWWHDLB-KRWDZBQOSA-N 2 2 408.458 3.553 20 5 HHBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544622054 1010246082 /nfs/dbraw/zinc/24/60/82/1010246082.db2.gz PRWJGMZXVVCRHP-UXHICEINSA-N 2 2 421.517 3.535 20 5 HHBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544622054 1010246100 /nfs/dbraw/zinc/24/61/00/1010246100.db2.gz PRWJGMZXVVCRHP-UXHICEINSA-N 2 2 421.517 3.535 20 5 HHBDLP