smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434679815 860456975 /nfs/dbraw/zinc/45/69/75/860456975.db2.gz QRKCHQPJQUXAEK-HNNXBMFYSA-N 2 2 422.489 4.118 20 5 HIBDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370208 866439884 /nfs/dbraw/zinc/43/98/84/866439884.db2.gz HDJVBJQTZKDIAN-RXVVDRJESA-N 2 2 421.501 4.075 20 5 HIBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411834 912393922 /nfs/dbraw/zinc/39/39/22/912393922.db2.gz QWQYTFNJWAYPDQ-NVXWUHKLSA-N 2 2 422.489 4.118 20 5 HIBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411834 912393942 /nfs/dbraw/zinc/39/39/42/912393942.db2.gz QWQYTFNJWAYPDQ-NVXWUHKLSA-N 2 2 422.489 4.118 20 5 HIBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411835 912395345 /nfs/dbraw/zinc/39/53/45/912395345.db2.gz QWQYTFNJWAYPDQ-RDJZCZTQSA-N 2 2 422.489 4.118 20 5 HIBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411835 912395367 /nfs/dbraw/zinc/39/53/67/912395367.db2.gz QWQYTFNJWAYPDQ-RDJZCZTQSA-N 2 2 422.489 4.118 20 5 HIBDLP C[NH+](C)Cc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000535690103 933345247 /nfs/dbraw/zinc/34/52/47/933345247.db2.gz NLRZKMXWQQNUBC-UHFFFAOYSA-N 2 2 400.479 4.209 20 5 HIBDLP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237243802 853989951 /nfs/dbraw/zinc/98/99/51/853989951.db2.gz LWJFWLRTUXOPKH-PMACEKPBSA-N 2 2 413.518 4.145 20 5 HIBDLP O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000237996705 854130844 /nfs/dbraw/zinc/13/08/44/854130844.db2.gz MLYHOQLBTFTWAF-UHFFFAOYSA-N 2 2 422.554 4.268 20 5 HIBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411833 912393530 /nfs/dbraw/zinc/39/35/30/912393530.db2.gz QWQYTFNJWAYPDQ-DOTOQJQBSA-N 2 2 422.489 4.118 20 5 HIBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411833 912393552 /nfs/dbraw/zinc/39/35/52/912393552.db2.gz QWQYTFNJWAYPDQ-DOTOQJQBSA-N 2 2 422.489 4.118 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)c1 ZINC000503437573 912445901 /nfs/dbraw/zinc/44/59/01/912445901.db2.gz MUDDOQNSFMAXLO-GOSISDBHSA-N 2 2 421.501 4.205 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)c1 ZINC000503437573 912445916 /nfs/dbraw/zinc/44/59/16/912445916.db2.gz MUDDOQNSFMAXLO-GOSISDBHSA-N 2 2 421.501 4.205 20 5 HIBDLP C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469778667 883953298 /nfs/dbraw/zinc/95/32/98/883953298.db2.gz FNJXFBQZBVTUPF-MRXNPFEDSA-N 2 2 403.442 4.329 20 5 HIBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2ccccc2)c1 ZINC000493991421 905334634 /nfs/dbraw/zinc/33/46/34/905334634.db2.gz UOWOIJOXQUXTIH-WXFUMESZSA-N 2 2 409.530 4.042 20 5 HIBDLP CC(C)[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000513100514 921550276 /nfs/dbraw/zinc/55/02/76/921550276.db2.gz KMNYGMHBQSKLFY-UHFFFAOYSA-N 2 2 419.529 4.410 20 5 HIBDLP CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000535556529 933240860 /nfs/dbraw/zinc/24/08/60/933240860.db2.gz VRVGIZSYUREMQV-UHFFFAOYSA-N 2 2 421.501 4.383 20 5 HIBDLP CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000535556529 933240868 /nfs/dbraw/zinc/24/08/68/933240868.db2.gz VRVGIZSYUREMQV-UHFFFAOYSA-N 2 2 421.501 4.383 20 5 HIBDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618780 938335350 /nfs/dbraw/zinc/33/53/50/938335350.db2.gz KQIDHCUAWDDSHS-UTKZUKDTSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618780 938335352 /nfs/dbraw/zinc/33/53/52/938335352.db2.gz KQIDHCUAWDDSHS-UTKZUKDTSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618780 938335354 /nfs/dbraw/zinc/33/53/54/938335354.db2.gz KQIDHCUAWDDSHS-UTKZUKDTSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618780 938335356 /nfs/dbraw/zinc/33/53/56/938335356.db2.gz KQIDHCUAWDDSHS-UTKZUKDTSA-N 2 2 413.518 4.097 20 5 HIBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537973921 938443252 /nfs/dbraw/zinc/44/32/52/938443252.db2.gz GSAAEOOHXJMRQO-SFHVURJKSA-N 2 2 407.580 4.090 20 5 HIBDLP CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538718572 938690252 /nfs/dbraw/zinc/69/02/52/938690252.db2.gz ABENQORJYLKPJR-UHFFFAOYSA-N 2 2 420.460 4.330 20 5 HIBDLP CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538718572 938690254 /nfs/dbraw/zinc/69/02/54/938690254.db2.gz ABENQORJYLKPJR-UHFFFAOYSA-N 2 2 420.460 4.330 20 5 HIBDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543904322 940235294 /nfs/dbraw/zinc/23/52/94/940235294.db2.gz MKBSUFKOSNWABR-HNNXBMFYSA-N 2 2 420.916 4.380 20 5 HIBDLP COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)o2)c([N+](=O)[O-])c1 ZINC000555198140 942427380 /nfs/dbraw/zinc/42/73/80/942427380.db2.gz LSBHGWAZHQUUPA-UHFFFAOYSA-N 2 2 418.453 4.398 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000237817357 854103372 /nfs/dbraw/zinc/10/33/72/854103372.db2.gz YDSBBEWRDKCHTN-HNNXBMFYSA-N 2 2 419.909 4.099 20 5 HIBDLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432814649 859371862 /nfs/dbraw/zinc/37/18/62/859371862.db2.gz WSVVVDXOTLGFHG-FQEVSTJZSA-N 2 2 413.518 4.099 20 5 HIBDLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432814649 859371876 /nfs/dbraw/zinc/37/18/76/859371876.db2.gz WSVVVDXOTLGFHG-FQEVSTJZSA-N 2 2 413.518 4.099 20 5 HIBDLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)[nH+]c2)CC1 ZINC000433223311 859575891 /nfs/dbraw/zinc/57/58/91/859575891.db2.gz OFLPIADXPDIVQB-OAQYLSRUSA-N 2 2 409.534 4.355 20 5 HIBDLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)[nH+]c2)CC1 ZINC000433223310 859576106 /nfs/dbraw/zinc/57/61/06/859576106.db2.gz OFLPIADXPDIVQB-NRFANRHFSA-N 2 2 409.534 4.355 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cs2)c1 ZINC000475291195 890194563 /nfs/dbraw/zinc/19/45/63/890194563.db2.gz MCQSOTFINUXVTH-GOSISDBHSA-N 2 2 408.527 4.330 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)c1 ZINC000475291195 890194583 /nfs/dbraw/zinc/19/45/83/890194583.db2.gz MCQSOTFINUXVTH-GOSISDBHSA-N 2 2 408.527 4.330 20 5 HIBDLP C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512386360 921123327 /nfs/dbraw/zinc/12/33/27/921123327.db2.gz FOQBRKWCZDEBGU-NVXWUHKLSA-N 2 2 400.548 4.461 20 5 HIBDLP C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512386360 921123332 /nfs/dbraw/zinc/12/33/32/921123332.db2.gz FOQBRKWCZDEBGU-NVXWUHKLSA-N 2 2 400.548 4.461 20 5 HIBDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510538393 918983820 /nfs/dbraw/zinc/98/38/20/918983820.db2.gz LZVNOWWQRWEYMN-IBGZPJMESA-N 2 2 422.485 4.285 20 5 HIBDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510538393 918983834 /nfs/dbraw/zinc/98/38/34/918983834.db2.gz LZVNOWWQRWEYMN-IBGZPJMESA-N 2 2 422.485 4.285 20 5 HIBDLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510554528 918999648 /nfs/dbraw/zinc/99/96/48/918999648.db2.gz QYRJGFIYTUSDHQ-LJQANCHMSA-N 2 2 422.485 4.285 20 5 HIBDLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510554528 918999658 /nfs/dbraw/zinc/99/96/58/918999658.db2.gz QYRJGFIYTUSDHQ-LJQANCHMSA-N 2 2 422.485 4.285 20 5 HIBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555169 851403256 /nfs/dbraw/zinc/40/32/56/851403256.db2.gz GNZFIGRVFZNYMX-QFIPXVFZSA-N 2 2 405.502 4.021 20 5 HIBDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555169 851403267 /nfs/dbraw/zinc/40/32/67/851403267.db2.gz GNZFIGRVFZNYMX-QFIPXVFZSA-N 2 2 405.502 4.021 20 5 HIBDLP CCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000236794413 853923207 /nfs/dbraw/zinc/92/32/07/853923207.db2.gz KEGLDBMOVPXWSP-UHFFFAOYSA-N 2 2 413.518 4.146 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)cs2)c1 ZINC000238007996 854133051 /nfs/dbraw/zinc/13/30/51/854133051.db2.gz SZTRAMDKJGSDHU-LJQANCHMSA-N 2 2 422.554 4.373 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)cs2)c1 ZINC000238007996 854133054 /nfs/dbraw/zinc/13/30/54/854133054.db2.gz SZTRAMDKJGSDHU-LJQANCHMSA-N 2 2 422.554 4.373 20 5 HIBDLP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512378985 921116943 /nfs/dbraw/zinc/11/69/43/921116943.db2.gz CJGRJOUJALXPKI-UHFFFAOYSA-N 2 2 420.513 4.389 20 5 HIBDLP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512378985 921116950 /nfs/dbraw/zinc/11/69/50/921116950.db2.gz CJGRJOUJALXPKI-UHFFFAOYSA-N 2 2 420.513 4.389 20 5 HIBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000504906099 913638164 /nfs/dbraw/zinc/63/81/64/913638164.db2.gz SWYHLJDENOOYLL-SFHVURJKSA-N 2 2 421.607 4.479 20 5 HIBDLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512395709 921131506 /nfs/dbraw/zinc/13/15/06/921131506.db2.gz ZKYYRKXQJAAVMY-UHFFFAOYSA-N 2 2 422.485 4.216 20 5 HIBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537973920 938443020 /nfs/dbraw/zinc/44/30/20/938443020.db2.gz GSAAEOOHXJMRQO-GOSISDBHSA-N 2 2 407.580 4.090 20 5 HIBDLP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542943266 939882893 /nfs/dbraw/zinc/88/28/93/939882893.db2.gz HFAWDEOIKKKONM-MRXNPFEDSA-N 2 2 424.973 4.409 20 5 HIBDLP COc1ccc(-c2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)o2)c([N+](=O)[O-])c1 ZINC000237415396 854027755 /nfs/dbraw/zinc/02/77/55/854027755.db2.gz LKYSFYHISOSADT-UHFFFAOYSA-N 2 2 408.458 4.017 20 5 HIBDLP COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)o2)c([N+](=O)[O-])c1 ZINC000237418349 854028462 /nfs/dbraw/zinc/02/84/62/854028462.db2.gz ILDZPWQVTIDCOY-UHFFFAOYSA-N 2 2 404.426 4.339 20 5 HIBDLP C[NH+]1CCC(CNC(=O)c2cc3ccccc3c3cccnc23)([NH+]2CCCCC2)CC1 ZINC000303938529 855304850 /nfs/dbraw/zinc/30/48/50/855304850.db2.gz DKZAIODQLBFLLW-UHFFFAOYSA-N 2 2 416.569 4.068 20 5 HIBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2ccccc2)c1 ZINC000493991419 905334014 /nfs/dbraw/zinc/33/40/14/905334014.db2.gz UOWOIJOXQUXTIH-RBZQAINGSA-N 2 2 409.530 4.042 20 5 HIBDLP CCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000509389321 918055464 /nfs/dbraw/zinc/05/54/64/918055464.db2.gz SDQOJUKMEKVSOG-UHFFFAOYSA-N 2 2 419.476 4.161 20 5 HIBDLP CCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000509389321 918055477 /nfs/dbraw/zinc/05/54/77/918055477.db2.gz SDQOJUKMEKVSOG-UHFFFAOYSA-N 2 2 419.476 4.161 20 5 HIBDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510538394 918984055 /nfs/dbraw/zinc/98/40/55/918984055.db2.gz LZVNOWWQRWEYMN-LJQANCHMSA-N 2 2 422.485 4.285 20 5 HIBDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510538394 918984065 /nfs/dbraw/zinc/98/40/65/918984065.db2.gz LZVNOWWQRWEYMN-LJQANCHMSA-N 2 2 422.485 4.285 20 5 HIBDLP CN(c1ccccc1)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000538795316 938714288 /nfs/dbraw/zinc/71/42/88/938714288.db2.gz URNXSCTZHBXUEA-JCTONOIOSA-N 2 2 424.545 4.046 20 5 HIBDLP CN(c1ccccc1)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000538795316 938714293 /nfs/dbraw/zinc/71/42/93/938714293.db2.gz URNXSCTZHBXUEA-JCTONOIOSA-N 2 2 424.545 4.046 20 5 HIBDLP C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469778666 883953763 /nfs/dbraw/zinc/95/37/63/883953763.db2.gz FNJXFBQZBVTUPF-INIZCTEOSA-N 2 2 403.442 4.329 20 5 HIBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000506688517 915366876 /nfs/dbraw/zinc/36/68/76/915366876.db2.gz HKHVGWUPGOINHJ-UHFFFAOYSA-N 2 2 413.518 4.099 20 5 HIBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000506688517 915366897 /nfs/dbraw/zinc/36/68/97/915366897.db2.gz HKHVGWUPGOINHJ-UHFFFAOYSA-N 2 2 413.518 4.099 20 5 HIBDLP Cc1cc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)nc(C)[nH+]1 ZINC000510123686 918682383 /nfs/dbraw/zinc/68/23/83/918682383.db2.gz FNPCSFIRPZFJBE-UHFFFAOYSA-N 2 2 409.515 4.052 20 5 HIBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432347428 859113898 /nfs/dbraw/zinc/11/38/98/859113898.db2.gz NHEUBZPLPOBONM-QGZVFWFLSA-N 2 2 417.481 4.117 20 5 HIBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432347428 859113901 /nfs/dbraw/zinc/11/39/01/859113901.db2.gz NHEUBZPLPOBONM-QGZVFWFLSA-N 2 2 417.481 4.117 20 5 HIBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000504906098 913638731 /nfs/dbraw/zinc/63/87/31/913638731.db2.gz SWYHLJDENOOYLL-GOSISDBHSA-N 2 2 421.607 4.479 20 5 HIBDLP C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512386361 921123089 /nfs/dbraw/zinc/12/30/89/921123089.db2.gz FOQBRKWCZDEBGU-RDJZCZTQSA-N 2 2 400.548 4.461 20 5 HIBDLP C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512386361 921123092 /nfs/dbraw/zinc/12/30/92/921123092.db2.gz FOQBRKWCZDEBGU-RDJZCZTQSA-N 2 2 400.548 4.461 20 5 HIBDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)[nH+]c2)C1 ZINC000494728063 905926990 /nfs/dbraw/zinc/92/69/90/905926990.db2.gz CJQFZZRZMPFYDU-UPVQGACJSA-N 2 2 417.513 4.332 20 5 HIBDLP O=[N+]([O-])c1cc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000508963152 917719721 /nfs/dbraw/zinc/71/97/21/917719721.db2.gz LSSPXOPQDTWLTP-UHFFFAOYSA-N 2 2 401.457 4.361 20 5 HIBDLP O=[N+]([O-])c1cc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000508963152 917719732 /nfs/dbraw/zinc/71/97/32/917719732.db2.gz LSSPXOPQDTWLTP-UHFFFAOYSA-N 2 2 401.457 4.361 20 5 HIBDLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)CC(C)C ZINC000557313201 943070351 /nfs/dbraw/zinc/07/03/51/943070351.db2.gz NDXPPYOGZGCTDP-UHFFFAOYSA-N 2 2 424.973 4.267 20 5 HIBDLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)CC(C)C ZINC000557313201 943070359 /nfs/dbraw/zinc/07/03/59/943070359.db2.gz NDXPPYOGZGCTDP-UHFFFAOYSA-N 2 2 424.973 4.267 20 5 HIBDLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000236920688 853938429 /nfs/dbraw/zinc/93/84/29/853938429.db2.gz VGPRCFBUXQACPL-UHFFFAOYSA-N 2 2 408.296 4.191 20 5 HIBDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000236930488 853939231 /nfs/dbraw/zinc/93/92/31/853939231.db2.gz FPKPXMIQBYRKMF-IBGZPJMESA-N 2 2 413.518 4.004 20 5 HIBDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000236930488 853939235 /nfs/dbraw/zinc/93/92/35/853939235.db2.gz FPKPXMIQBYRKMF-IBGZPJMESA-N 2 2 413.518 4.004 20 5 HIBDLP COc1ccc(-c2ccc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)o2)c([N+](=O)[O-])c1 ZINC000237421607 854029829 /nfs/dbraw/zinc/02/98/29/854029829.db2.gz WTLAYSBVARAXSP-UHFFFAOYSA-N 2 2 418.453 4.398 20 5 HIBDLP Cn1cc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494435561 905721288 /nfs/dbraw/zinc/72/12/88/905721288.db2.gz IWJYHWNZCKGULW-XMMPIXPASA-N 2 2 419.529 4.140 20 5 HIBDLP Cn1cc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494435561 905721294 /nfs/dbraw/zinc/72/12/94/905721294.db2.gz IWJYHWNZCKGULW-XMMPIXPASA-N 2 2 419.529 4.140 20 5 HIBDLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520189993 928377089 /nfs/dbraw/zinc/37/70/89/928377089.db2.gz DRQDKUBKZJXEAE-UHFFFAOYSA-N 2 2 410.312 4.295 20 5 HIBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@@H+]1C ZINC000525195141 930083168 /nfs/dbraw/zinc/08/31/68/930083168.db2.gz XSHOQUNHGZOBKB-STQMWFEESA-N 2 2 408.296 4.190 20 5 HIBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@H+]1C ZINC000525195141 930083171 /nfs/dbraw/zinc/08/31/71/930083171.db2.gz XSHOQUNHGZOBKB-STQMWFEESA-N 2 2 408.296 4.190 20 5 HIBDLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716849 938688965 /nfs/dbraw/zinc/68/89/65/938688965.db2.gz GENYNJFXKYEMJO-UTKZUKDTSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716849 938688970 /nfs/dbraw/zinc/68/89/70/938688970.db2.gz GENYNJFXKYEMJO-UTKZUKDTSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716849 938688972 /nfs/dbraw/zinc/68/89/72/938688972.db2.gz GENYNJFXKYEMJO-UTKZUKDTSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716849 938688977 /nfs/dbraw/zinc/68/89/77/938688977.db2.gz GENYNJFXKYEMJO-UTKZUKDTSA-N 2 2 413.518 4.097 20 5 HIBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000567547412 946372320 /nfs/dbraw/zinc/37/23/20/946372320.db2.gz RCGUHMDYTJYEBM-UHFFFAOYSA-N 2 2 419.279 4.336 20 5 HIBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000567547412 946372331 /nfs/dbraw/zinc/37/23/31/946372331.db2.gz RCGUHMDYTJYEBM-UHFFFAOYSA-N 2 2 419.279 4.336 20 5 HIBDLP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000312003873 855371448 /nfs/dbraw/zinc/37/14/48/855371448.db2.gz VCQFTTVEMPGGIM-UHFFFAOYSA-N 2 2 418.335 4.454 20 5 HIBDLP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000312003873 855371452 /nfs/dbraw/zinc/37/14/52/855371452.db2.gz VCQFTTVEMPGGIM-UHFFFAOYSA-N 2 2 418.335 4.454 20 5 HIBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000468652799 882790244 /nfs/dbraw/zinc/79/02/44/882790244.db2.gz SKOFYKXHLWXTHH-ZAQQZEBGSA-N 2 2 409.530 4.488 20 5 HIBDLP C[C@H]([NH2+]C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1)c1ccccc1 ZINC000484145553 899766869 /nfs/dbraw/zinc/76/68/69/899766869.db2.gz MYFXILASWRKAFM-CVDCTZTESA-N 2 2 423.557 4.406 20 5 HIBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000491422864 904587821 /nfs/dbraw/zinc/58/78/21/904587821.db2.gz JXPROEYJPWGSFH-RUZDIDTESA-N 2 2 417.509 4.306 20 5 HIBDLP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543991177 940286846 /nfs/dbraw/zinc/28/68/46/940286846.db2.gz MDDVARQGHPMBLU-INIZCTEOSA-N 2 2 410.478 4.095 20 5 HIBDLP COCC[NH+]1CCC([NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000237124940 853967902 /nfs/dbraw/zinc/96/79/02/853967902.db2.gz QYIQZDZJYUAKCE-UHFFFAOYSA-N 2 2 415.559 4.255 20 5 HIBDLP C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Cn1cc[nH+]c1 ZINC000237409344 854025921 /nfs/dbraw/zinc/02/59/21/854025921.db2.gz IBWXUSOUIUYDJU-ZDUSSCGKSA-N 2 2 419.279 4.240 20 5 HIBDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494808902 906009461 /nfs/dbraw/zinc/00/94/61/906009461.db2.gz MWFJKPCDKIQRQN-HNNXBMFYSA-N 2 2 420.916 4.380 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000517537238 924251777 /nfs/dbraw/zinc/25/17/77/924251777.db2.gz MOTLWDPFSUDSQP-DHIUTWEWSA-N 2 2 417.513 4.164 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000517537238 924251790 /nfs/dbraw/zinc/25/17/90/924251790.db2.gz MOTLWDPFSUDSQP-DHIUTWEWSA-N 2 2 417.513 4.164 20 5 HIBDLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000520955838 928888748 /nfs/dbraw/zinc/88/87/48/928888748.db2.gz YAUOYYHPDVQGCJ-IRXDYDNUSA-N 2 2 417.481 4.115 20 5 HIBDLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537848820 938389290 /nfs/dbraw/zinc/38/92/90/938389290.db2.gz AWINCPSDGJXKTM-UHFFFAOYSA-N 2 2 422.957 4.021 20 5 HIBDLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537848820 938389294 /nfs/dbraw/zinc/38/92/94/938389294.db2.gz AWINCPSDGJXKTM-UHFFFAOYSA-N 2 2 422.957 4.021 20 5 HIBDLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C(C)C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000061070020 851287569 /nfs/dbraw/zinc/28/75/69/851287569.db2.gz PACMMESZBYOKJO-UHFFFAOYSA-N 2 2 410.562 4.146 20 5 HIBDLP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237191245 853978650 /nfs/dbraw/zinc/97/86/50/853978650.db2.gz LWJFWLRTUXOPKH-WOJBJXKFSA-N 2 2 413.518 4.145 20 5 HIBDLP COCCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000237207216 853982601 /nfs/dbraw/zinc/98/26/01/853982601.db2.gz SOXYWFXHSQPQEW-UHFFFAOYSA-N 2 2 417.481 4.117 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)cs2)c1 ZINC000238008746 854132521 /nfs/dbraw/zinc/13/25/21/854132521.db2.gz NULXLJHGXFBCJK-UHFFFAOYSA-N 2 2 405.483 4.253 20 5 HIBDLP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000303594565 855067534 /nfs/dbraw/zinc/06/75/34/855067534.db2.gz WDDLYHBOLCGGJB-OAHLLOKOSA-N 2 2 410.946 4.019 20 5 HIBDLP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000303594565 855067537 /nfs/dbraw/zinc/06/75/37/855067537.db2.gz WDDLYHBOLCGGJB-OAHLLOKOSA-N 2 2 410.946 4.019 20 5 HIBDLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432798668 859365838 /nfs/dbraw/zinc/36/58/38/859365838.db2.gz RBCKBFOYWONHFT-HXUWFJFHSA-N 2 2 413.518 4.099 20 5 HIBDLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432798668 859365844 /nfs/dbraw/zinc/36/58/44/859365844.db2.gz RBCKBFOYWONHFT-HXUWFJFHSA-N 2 2 413.518 4.099 20 5 HIBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589287 868144402 /nfs/dbraw/zinc/14/44/02/868144402.db2.gz DDORBLIIXACVRT-MRXNPFEDSA-N 2 2 422.957 4.163 20 5 HIBDLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512355161 921099807 /nfs/dbraw/zinc/09/98/07/921099807.db2.gz RWIPODUUEKIAQD-UHFFFAOYSA-N 2 2 422.485 4.285 20 5 HIBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@@H+]1C ZINC000525195139 930082677 /nfs/dbraw/zinc/08/26/77/930082677.db2.gz XSHOQUNHGZOBKB-OLZOCXBDSA-N 2 2 408.296 4.190 20 5 HIBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@H+]1C ZINC000525195139 930082682 /nfs/dbraw/zinc/08/26/82/930082682.db2.gz XSHOQUNHGZOBKB-OLZOCXBDSA-N 2 2 408.296 4.190 20 5 HIBDLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716847 938689244 /nfs/dbraw/zinc/68/92/44/938689244.db2.gz GENYNJFXKYEMJO-DYESRHJHSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716847 938689246 /nfs/dbraw/zinc/68/92/46/938689246.db2.gz GENYNJFXKYEMJO-DYESRHJHSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716847 938689249 /nfs/dbraw/zinc/68/92/49/938689249.db2.gz GENYNJFXKYEMJO-DYESRHJHSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716847 938689252 /nfs/dbraw/zinc/68/92/52/938689252.db2.gz GENYNJFXKYEMJO-DYESRHJHSA-N 2 2 413.518 4.097 20 5 HIBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543991178 940286093 /nfs/dbraw/zinc/28/60/93/940286093.db2.gz MDDVARQGHPMBLU-MRXNPFEDSA-N 2 2 410.478 4.095 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cs2)c1 ZINC000553576022 941912562 /nfs/dbraw/zinc/91/25/62/941912562.db2.gz VVQFSTUGSQQILZ-UHFFFAOYSA-N 2 2 405.483 4.253 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCCC3)o2)c(Br)c1 ZINC000236568143 853898858 /nfs/dbraw/zinc/89/88/58/853898858.db2.gz WNESBGXQIYYORY-UHFFFAOYSA-N 2 2 408.296 4.193 20 5 HIBDLP Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302134731 854534964 /nfs/dbraw/zinc/53/49/64/854534964.db2.gz HOLCJHDYVAOORX-UHFFFAOYSA-N 2 2 413.481 4.453 20 5 HIBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000432361997 859121784 /nfs/dbraw/zinc/12/17/84/859121784.db2.gz GPOHXLPYSZJSRK-HNNXBMFYSA-N 2 2 407.898 4.099 20 5 HIBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000432361997 859121788 /nfs/dbraw/zinc/12/17/88/859121788.db2.gz GPOHXLPYSZJSRK-HNNXBMFYSA-N 2 2 407.898 4.099 20 5 HIBDLP O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(F)c1 ZINC000433114872 859526555 /nfs/dbraw/zinc/52/65/55/859526555.db2.gz OOMMXCYCNTYOJT-UHFFFAOYSA-N 2 2 401.457 4.361 20 5 HIBDLP O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(F)c1 ZINC000433114872 859526564 /nfs/dbraw/zinc/52/65/64/859526564.db2.gz OOMMXCYCNTYOJT-UHFFFAOYSA-N 2 2 401.457 4.361 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cs2)c1 ZINC000475291196 890195345 /nfs/dbraw/zinc/19/53/45/890195345.db2.gz MCQSOTFINUXVTH-SFHVURJKSA-N 2 2 408.527 4.330 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)c1 ZINC000475291196 890195367 /nfs/dbraw/zinc/19/53/67/890195367.db2.gz MCQSOTFINUXVTH-SFHVURJKSA-N 2 2 408.527 4.330 20 5 HIBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000479503843 894819742 /nfs/dbraw/zinc/81/97/42/894819742.db2.gz SASPHTKIZZFBKX-CTWPCTMYSA-N 2 2 411.468 4.311 20 5 HIBDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000520955837 928888284 /nfs/dbraw/zinc/88/82/84/928888284.db2.gz YAUOYYHPDVQGCJ-IAGOWNOFSA-N 2 2 417.481 4.115 20 5 HIBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@@H+]1C ZINC000525195138 930083086 /nfs/dbraw/zinc/08/30/86/930083086.db2.gz XSHOQUNHGZOBKB-CHWSQXEVSA-N 2 2 408.296 4.190 20 5 HIBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@H+]1C ZINC000525195138 930083090 /nfs/dbraw/zinc/08/30/90/930083090.db2.gz XSHOQUNHGZOBKB-CHWSQXEVSA-N 2 2 408.296 4.190 20 5 HIBDLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716850 938689015 /nfs/dbraw/zinc/68/90/15/938689015.db2.gz GENYNJFXKYEMJO-UWJYYQICSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716850 938689019 /nfs/dbraw/zinc/68/90/19/938689019.db2.gz GENYNJFXKYEMJO-UWJYYQICSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716850 938689023 /nfs/dbraw/zinc/68/90/23/938689023.db2.gz GENYNJFXKYEMJO-UWJYYQICSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716850 938689025 /nfs/dbraw/zinc/68/90/25/938689025.db2.gz GENYNJFXKYEMJO-UWJYYQICSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000548932232 941130640 /nfs/dbraw/zinc/13/06/40/941130640.db2.gz WQZWLHNVQCFKRG-OAQYLSRUSA-N 2 2 401.482 4.133 20 5 HIBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000548932232 941130641 /nfs/dbraw/zinc/13/06/41/941130641.db2.gz WQZWLHNVQCFKRG-OAQYLSRUSA-N 2 2 401.482 4.133 20 5 HIBDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000548932231 941130714 /nfs/dbraw/zinc/13/07/14/941130714.db2.gz WQZWLHNVQCFKRG-NRFANRHFSA-N 2 2 401.482 4.133 20 5 HIBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000548932231 941130716 /nfs/dbraw/zinc/13/07/16/941130716.db2.gz WQZWLHNVQCFKRG-NRFANRHFSA-N 2 2 401.482 4.133 20 5 HIBDLP C[NH+](C)Cc1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000237065197 853958509 /nfs/dbraw/zinc/95/85/09/853958509.db2.gz DRXTUVFYCHVXEC-UHFFFAOYSA-N 2 2 400.479 4.209 20 5 HIBDLP COc1ccc(-c2ccc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237419666 854028720 /nfs/dbraw/zinc/02/87/20/854028720.db2.gz AUIYDWUXNKDROW-UHFFFAOYSA-N 2 2 418.453 4.398 20 5 HIBDLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432814650 859372011 /nfs/dbraw/zinc/37/20/11/859372011.db2.gz WSVVVDXOTLGFHG-HXUWFJFHSA-N 2 2 413.518 4.099 20 5 HIBDLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432814650 859372018 /nfs/dbraw/zinc/37/20/18/859372018.db2.gz WSVVVDXOTLGFHG-HXUWFJFHSA-N 2 2 413.518 4.099 20 5 HIBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000491422865 904588224 /nfs/dbraw/zinc/58/82/24/904588224.db2.gz JXPROEYJPWGSFH-VWLOTQADSA-N 2 2 417.509 4.306 20 5 HIBDLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)C1 ZINC000071931706 852435416 /nfs/dbraw/zinc/43/54/16/852435416.db2.gz ULXCSYUQHLOGIM-KRWDZBQOSA-N 2 2 419.485 4.265 20 5 HIBDLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)C1 ZINC000071931706 852435419 /nfs/dbraw/zinc/43/54/19/852435419.db2.gz ULXCSYUQHLOGIM-KRWDZBQOSA-N 2 2 419.485 4.265 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)cs2)c1 ZINC000238006651 854132944 /nfs/dbraw/zinc/13/29/44/854132944.db2.gz WSHZWUQYVUJFMT-UHFFFAOYSA-N 2 2 419.510 4.295 20 5 HIBDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216737 884543655 /nfs/dbraw/zinc/54/36/55/884543655.db2.gz BPTZZYSNNMUQRD-ZBVVHHPNSA-N 2 2 411.550 4.137 20 5 HIBDLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216737 884543661 /nfs/dbraw/zinc/54/36/61/884543661.db2.gz BPTZZYSNNMUQRD-ZBVVHHPNSA-N 2 2 411.550 4.137 20 5 HIBDLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216737 884543669 /nfs/dbraw/zinc/54/36/69/884543669.db2.gz BPTZZYSNNMUQRD-ZBVVHHPNSA-N 2 2 411.550 4.137 20 5 HIBDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216737 884543684 /nfs/dbraw/zinc/54/36/84/884543684.db2.gz BPTZZYSNNMUQRD-ZBVVHHPNSA-N 2 2 411.550 4.137 20 5 HIBDLP CCOc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000479477064 894800382 /nfs/dbraw/zinc/80/03/82/894800382.db2.gz RJGZTBCOFVRSBI-NVPAJSRCSA-N 2 2 415.456 4.449 20 5 HIBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)c1 ZINC000491424173 904590427 /nfs/dbraw/zinc/59/04/27/904590427.db2.gz SBUXEKUVCATWQX-RUZDIDTESA-N 2 2 417.509 4.306 20 5 HIBDLP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000237421247 854029662 /nfs/dbraw/zinc/02/96/62/854029662.db2.gz AKLAWFQZUAFLST-SFHVURJKSA-N 2 2 416.485 4.070 20 5 HIBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000237962890 854126156 /nfs/dbraw/zinc/12/61/56/854126156.db2.gz VGHDFKCTZVEWEX-UHFFFAOYSA-N 2 2 423.538 4.445 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)cs2)c1 ZINC000238009297 854133012 /nfs/dbraw/zinc/13/30/12/854133012.db2.gz BIEZXXWLUKTUOA-UHFFFAOYSA-N 2 2 405.483 4.253 20 5 HIBDLP O=[N+]([O-])c1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000463245408 876303333 /nfs/dbraw/zinc/30/33/33/876303333.db2.gz LOGDMKVHKDHUBL-UHFFFAOYSA-N 2 2 407.436 4.410 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)co2)cc1 ZINC000503430433 912429405 /nfs/dbraw/zinc/42/94/05/912429405.db2.gz CSRVLBBPZIATKF-KRWDZBQOSA-N 2 2 407.474 4.162 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)co2)cc1 ZINC000503430433 912429424 /nfs/dbraw/zinc/42/94/24/912429424.db2.gz CSRVLBBPZIATKF-KRWDZBQOSA-N 2 2 407.474 4.162 20 5 HIBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2ccccc2)c1 ZINC000493991420 905333386 /nfs/dbraw/zinc/33/33/86/905333386.db2.gz UOWOIJOXQUXTIH-TZRRMPRUSA-N 2 2 409.530 4.042 20 5 HIBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531307 905814895 /nfs/dbraw/zinc/81/48/95/905814895.db2.gz ZKDKZZLXEDKPCB-KUHUBIRLSA-N 2 2 408.424 4.009 20 5 HIBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531307 905814901 /nfs/dbraw/zinc/81/49/01/905814901.db2.gz ZKDKZZLXEDKPCB-KUHUBIRLSA-N 2 2 408.424 4.009 20 5 HIBDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)[nH+]c2)C1 ZINC000494728066 905927431 /nfs/dbraw/zinc/92/74/31/905927431.db2.gz CJQFZZRZMPFYDU-VWNXMTODSA-N 2 2 417.513 4.332 20 5 HIBDLP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000541084929 939454341 /nfs/dbraw/zinc/45/43/41/939454341.db2.gz FFPRHQXWXCEOLK-UHFFFAOYSA-N 2 2 410.946 4.021 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)o2)c(Br)c1 ZINC000236569139 853899486 /nfs/dbraw/zinc/89/94/86/853899486.db2.gz FTTKNUSMMFYXLW-UHFFFAOYSA-N 2 2 420.307 4.334 20 5 HIBDLP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000237207742 853982463 /nfs/dbraw/zinc/98/24/63/853982463.db2.gz RCMLLXDSDXCLTH-UHFFFAOYSA-N 2 2 407.898 4.099 20 5 HIBDLP C[NH+]1CCC([NH+]2CCC(Nc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000301115864 854301241 /nfs/dbraw/zinc/30/12/41/854301241.db2.gz OLCCLXAUMREOOQ-UHFFFAOYSA-N 2 2 420.863 4.238 20 5 HIBDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370207 866438835 /nfs/dbraw/zinc/43/88/35/866438835.db2.gz HDJVBJQTZKDIAN-NQIIRXRSSA-N 2 2 421.501 4.075 20 5 HIBDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370206 866439242 /nfs/dbraw/zinc/43/92/42/866439242.db2.gz HDJVBJQTZKDIAN-GHTZIAJQSA-N 2 2 421.501 4.075 20 5 HIBDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000460345161 872963314 /nfs/dbraw/zinc/96/33/14/872963314.db2.gz FQXDCJXZGABLGB-ROUUACIJSA-N 2 2 420.513 4.496 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(CCCn4cc[nH+]c4)CC3)o2)c1 ZINC000543061238 939914868 /nfs/dbraw/zinc/91/48/68/939914868.db2.gz VMAPFGSISQQYAH-UHFFFAOYSA-N 2 2 409.490 4.181 20 5 HIBDLP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237194432 853979414 /nfs/dbraw/zinc/97/94/14/853979414.db2.gz LWJFWLRTUXOPKH-UXHICEINSA-N 2 2 413.518 4.145 20 5 HIBDLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432798667 859366452 /nfs/dbraw/zinc/36/64/52/859366452.db2.gz RBCKBFOYWONHFT-FQEVSTJZSA-N 2 2 413.518 4.099 20 5 HIBDLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000432798667 859366459 /nfs/dbraw/zinc/36/64/59/859366459.db2.gz RBCKBFOYWONHFT-FQEVSTJZSA-N 2 2 413.518 4.099 20 5 HIBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000468652798 882789167 /nfs/dbraw/zinc/78/91/67/882789167.db2.gz SKOFYKXHLWXTHH-YKRMCXMESA-N 2 2 409.530 4.488 20 5 HIBDLP C[C@H]([NH2+]C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1)c1ccccc1 ZINC000484145557 899767165 /nfs/dbraw/zinc/76/71/65/899767165.db2.gz MYFXILASWRKAFM-WMZHIEFXSA-N 2 2 423.557 4.406 20 5 HIBDLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000512658635 921277929 /nfs/dbraw/zinc/27/79/29/921277929.db2.gz WYEYYFBNJDRTJC-UHFFFAOYSA-N 2 2 422.485 4.285 20 5 HIBDLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506689084 915367273 /nfs/dbraw/zinc/36/72/73/915367273.db2.gz IYAMWIDNGHHWMD-UHFFFAOYSA-N 2 2 419.529 4.364 20 5 HIBDLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506689084 915367296 /nfs/dbraw/zinc/36/72/96/915367296.db2.gz IYAMWIDNGHHWMD-UHFFFAOYSA-N 2 2 419.529 4.364 20 5 HIBDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509030815 917785912 /nfs/dbraw/zinc/78/59/12/917785912.db2.gz KCRNDQAFLYWXFR-CQSZACIVSA-N 2 2 422.451 4.005 20 5 HIBDLP CC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533128 931895973 /nfs/dbraw/zinc/89/59/73/931895973.db2.gz UNQYOTGBRBMSKT-UHFFFAOYSA-N 2 2 403.552 4.369 20 5 HIBDLP CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533128 931895974 /nfs/dbraw/zinc/89/59/74/931895974.db2.gz UNQYOTGBRBMSKT-UHFFFAOYSA-N 2 2 403.552 4.369 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)c1 ZINC000503437576 912445351 /nfs/dbraw/zinc/44/53/51/912445351.db2.gz MUDDOQNSFMAXLO-SFHVURJKSA-N 2 2 421.501 4.205 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)c1 ZINC000503437576 912445365 /nfs/dbraw/zinc/44/53/65/912445365.db2.gz MUDDOQNSFMAXLO-SFHVURJKSA-N 2 2 421.501 4.205 20 5 HIBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000504899978 913632716 /nfs/dbraw/zinc/63/27/16/913632716.db2.gz PCAWTJABDHBUJF-FQEVSTJZSA-N 2 2 415.559 4.088 20 5 HIBDLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1)c1ccccc1 ZINC000484145560 899766475 /nfs/dbraw/zinc/76/64/75/899766475.db2.gz MYFXILASWRKAFM-XXBNENTESA-N 2 2 423.557 4.406 20 5 HIBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)c1 ZINC000491424174 904590210 /nfs/dbraw/zinc/59/02/10/904590210.db2.gz SBUXEKUVCATWQX-VWLOTQADSA-N 2 2 417.509 4.306 20 5 HIBDLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512663321 921279613 /nfs/dbraw/zinc/27/96/13/921279613.db2.gz JSRYXAKNHOXJLC-UHFFFAOYSA-N 2 2 422.485 4.285 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)s2)cc1 ZINC000238002543 854131745 /nfs/dbraw/zinc/13/17/45/854131745.db2.gz LMWHEACBTXRTNH-UHFFFAOYSA-N 2 2 423.538 4.445 20 5 HIBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589286 868144986 /nfs/dbraw/zinc/14/49/86/868144986.db2.gz DDORBLIIXACVRT-INIZCTEOSA-N 2 2 422.957 4.163 20 5 HIBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000468652800 882788862 /nfs/dbraw/zinc/78/88/62/882788862.db2.gz SKOFYKXHLWXTHH-ZWUNQBBJSA-N 2 2 409.530 4.488 20 5 HIBDLP C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512390012 921125750 /nfs/dbraw/zinc/12/57/50/921125750.db2.gz XBONLQLLCJMZGA-UHFFFAOYSA-N 2 2 420.513 4.389 20 5 HIBDLP C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512390012 921125757 /nfs/dbraw/zinc/12/57/57/921125757.db2.gz XBONLQLLCJMZGA-UHFFFAOYSA-N 2 2 420.513 4.389 20 5 HIBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000506647547 915317662 /nfs/dbraw/zinc/31/76/62/915317662.db2.gz WOTITDQQSRXQFN-UHFFFAOYSA-N 2 2 413.518 4.099 20 5 HIBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000506647547 915317680 /nfs/dbraw/zinc/31/76/80/915317680.db2.gz WOTITDQQSRXQFN-UHFFFAOYSA-N 2 2 413.518 4.099 20 5 HIBDLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716848 938688885 /nfs/dbraw/zinc/68/88/85/938688885.db2.gz GENYNJFXKYEMJO-LAUBAEHRSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716848 938688886 /nfs/dbraw/zinc/68/88/86/938688886.db2.gz GENYNJFXKYEMJO-LAUBAEHRSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716848 938688887 /nfs/dbraw/zinc/68/88/87/938688887.db2.gz GENYNJFXKYEMJO-LAUBAEHRSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538716848 938688888 /nfs/dbraw/zinc/68/88/88/938688888.db2.gz GENYNJFXKYEMJO-LAUBAEHRSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000573767628 948293985 /nfs/dbraw/zinc/29/39/85/948293985.db2.gz WHPMUBSYKMOEFI-LJQANCHMSA-N 2 2 413.518 4.004 20 5 HIBDLP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000573767628 948293993 /nfs/dbraw/zinc/29/39/93/948293993.db2.gz WHPMUBSYKMOEFI-LJQANCHMSA-N 2 2 413.518 4.004 20 5 HIBDLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032245142 847994461 /nfs/dbraw/zinc/99/44/61/847994461.db2.gz DRJXYBUQARUSAX-UHFFFAOYSA-N 2 2 405.458 4.019 20 5 HIBDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370209 866438878 /nfs/dbraw/zinc/43/88/78/866438878.db2.gz HDJVBJQTZKDIAN-WIYYLYMNSA-N 2 2 421.501 4.075 20 5 HIBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411836 912394813 /nfs/dbraw/zinc/39/48/13/912394813.db2.gz QWQYTFNJWAYPDQ-WBVHZDCISA-N 2 2 422.489 4.118 20 5 HIBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411836 912394842 /nfs/dbraw/zinc/39/48/42/912394842.db2.gz QWQYTFNJWAYPDQ-WBVHZDCISA-N 2 2 422.489 4.118 20 5 HIBDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509030813 917785321 /nfs/dbraw/zinc/78/53/21/917785321.db2.gz KCRNDQAFLYWXFR-AWEZNQCLSA-N 2 2 422.451 4.005 20 5 HIBDLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH+]c2)CC1 ZINC000533187189 931804816 /nfs/dbraw/zinc/80/48/16/931804816.db2.gz FARJDCSSIYJULB-UHFFFAOYSA-N 2 2 421.501 4.392 20 5 HIBDLP CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395161 931856778 /nfs/dbraw/zinc/85/67/78/931856778.db2.gz LUDVLYBIVYEMMN-UHFFFAOYSA-N 2 2 411.550 4.350 20 5 HIBDLP CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395161 931856781 /nfs/dbraw/zinc/85/67/81/931856781.db2.gz LUDVLYBIVYEMMN-UHFFFAOYSA-N 2 2 411.550 4.350 20 5 HIBDLP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237241198 853988582 /nfs/dbraw/zinc/98/85/82/853988582.db2.gz LWJFWLRTUXOPKH-VQTJNVASSA-N 2 2 413.518 4.145 20 5 HIBDLP C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Cn1cc[nH+]c1 ZINC000237579651 854057175 /nfs/dbraw/zinc/05/71/75/854057175.db2.gz IBWXUSOUIUYDJU-CYBMUJFWSA-N 2 2 419.279 4.240 20 5 HIBDLP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512370313 921111084 /nfs/dbraw/zinc/11/10/84/921111084.db2.gz OWYLGRZARSQYHX-UHFFFAOYSA-N 2 2 420.513 4.389 20 5 HIBDLP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512370313 921111093 /nfs/dbraw/zinc/11/10/93/921111093.db2.gz OWYLGRZARSQYHX-UHFFFAOYSA-N 2 2 420.513 4.389 20 5 HIBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2ccccc2)c1 ZINC000493991416 905332650 /nfs/dbraw/zinc/33/26/50/905332650.db2.gz UOWOIJOXQUXTIH-KMDXXIMOSA-N 2 2 409.530 4.042 20 5 HIBDLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000533484742 931881594 /nfs/dbraw/zinc/88/15/94/931881594.db2.gz YFGDEPLHSKIEOG-NRFANRHFSA-N 2 2 419.485 4.186 20 5 HIBDLP Cc1ccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000539103367 938803506 /nfs/dbraw/zinc/80/35/06/938803506.db2.gz ABNJJNOBBXZOOJ-MRXNPFEDSA-N 2 2 402.926 4.159 20 5 HIBDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000540610172 939319382 /nfs/dbraw/zinc/31/93/82/939319382.db2.gz OSJRDOXHIUOOGQ-UHFFFAOYSA-N 2 2 421.925 4.487 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000238011802 854133944 /nfs/dbraw/zinc/13/39/44/854133944.db2.gz MOTLWDPFSUDSQP-PKTZIBPZSA-N 2 2 417.513 4.164 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000238011802 854133947 /nfs/dbraw/zinc/13/39/47/854133947.db2.gz MOTLWDPFSUDSQP-PKTZIBPZSA-N 2 2 417.513 4.164 20 5 HIBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000479503842 894819229 /nfs/dbraw/zinc/81/92/29/894819229.db2.gz SASPHTKIZZFBKX-ACBHZAAOSA-N 2 2 411.468 4.311 20 5 HIBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531308 905815147 /nfs/dbraw/zinc/81/51/47/905815147.db2.gz ZKDKZZLXEDKPCB-LIRRHRJNSA-N 2 2 408.424 4.009 20 5 HIBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531308 905815159 /nfs/dbraw/zinc/81/51/59/905815159.db2.gz ZKDKZZLXEDKPCB-LIRRHRJNSA-N 2 2 408.424 4.009 20 5 HIBDLP Cc1ccc([C@H](C)[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000539103366 938803433 /nfs/dbraw/zinc/80/34/33/938803433.db2.gz ABNJJNOBBXZOOJ-INIZCTEOSA-N 2 2 402.926 4.159 20 5 HIBDLP COc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000571078804 947476874 /nfs/dbraw/zinc/47/68/74/947476874.db2.gz DFHWXEWDHBKNNQ-UHFFFAOYSA-N 2 2 424.448 4.094 20 5 HIBDLP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434679816 860457177 /nfs/dbraw/zinc/45/71/77/860457177.db2.gz QRKCHQPJQUXAEK-OAHLLOKOSA-N 2 2 422.489 4.118 20 5 HIBDLP CCOc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000479477063 894800460 /nfs/dbraw/zinc/80/04/60/894800460.db2.gz RJGZTBCOFVRSBI-IGEOTXOUSA-N 2 2 415.456 4.449 20 5 HIBDLP C[C@@H]([NH2+]C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1)c1ccccc1 ZINC000484145550 899767060 /nfs/dbraw/zinc/76/70/60/899767060.db2.gz MYFXILASWRKAFM-AUSIDOKSSA-N 2 2 423.557 4.406 20 5 HIBDLP Cn1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513453741 921819382 /nfs/dbraw/zinc/81/93/82/921819382.db2.gz AIJUKUIJLXMZME-UHFFFAOYSA-N 2 2 419.529 4.092 20 5 HIBDLP Cn1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513453741 921819388 /nfs/dbraw/zinc/81/93/88/921819388.db2.gz AIJUKUIJLXMZME-UHFFFAOYSA-N 2 2 419.529 4.092 20 5 HIBDLP CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000071961527 852448609 /nfs/dbraw/zinc/44/86/09/852448609.db2.gz WRUIHIYBNMZKRI-UHFFFAOYSA-N 2 2 419.485 4.265 20 5 HIBDLP C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000237589488 854059256 /nfs/dbraw/zinc/05/92/56/854059256.db2.gz AKLAWFQZUAFLST-GOSISDBHSA-N 2 2 416.485 4.070 20 5 HIBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000517542876 924254878 /nfs/dbraw/zinc/25/48/78/924254878.db2.gz GNZFIGRVFZNYMX-JOCHJYFZSA-N 2 2 405.502 4.021 20 5 HIBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000517542876 924254890 /nfs/dbraw/zinc/25/48/90/924254890.db2.gz GNZFIGRVFZNYMX-JOCHJYFZSA-N 2 2 405.502 4.021 20 5 HIBDLP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542011932 939684036 /nfs/dbraw/zinc/68/40/36/939684036.db2.gz HINQBQWFDQHPKM-UHFFFAOYSA-N 2 2 410.946 4.021 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)cs2)c1 ZINC000238007521 854132872 /nfs/dbraw/zinc/13/28/72/854132872.db2.gz SZTRAMDKJGSDHU-IBGZPJMESA-N 2 2 422.554 4.373 20 5 HIBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cs2)c1 ZINC000238007521 854132876 /nfs/dbraw/zinc/13/28/76/854132876.db2.gz SZTRAMDKJGSDHU-IBGZPJMESA-N 2 2 422.554 4.373 20 5 HIBDLP CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000490355587 903949073 /nfs/dbraw/zinc/94/90/73/903949073.db2.gz QGUVHAWRFHSARU-UHFFFAOYSA-N 2 2 415.513 4.447 20 5 HIBDLP CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000490355587 903949078 /nfs/dbraw/zinc/94/90/78/903949078.db2.gz QGUVHAWRFHSARU-UHFFFAOYSA-N 2 2 415.513 4.447 20 5 HIBDLP C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512386362 921122943 /nfs/dbraw/zinc/12/29/43/921122943.db2.gz FOQBRKWCZDEBGU-WBVHZDCISA-N 2 2 400.548 4.461 20 5 HIBDLP C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512386362 921122949 /nfs/dbraw/zinc/12/29/49/921122949.db2.gz FOQBRKWCZDEBGU-WBVHZDCISA-N 2 2 400.548 4.461 20 5 HIBDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)[nH+]c2)C1 ZINC000494728050 905927922 /nfs/dbraw/zinc/92/79/22/905927922.db2.gz CJQFZZRZMPFYDU-ISKFKSNPSA-N 2 2 417.513 4.332 20 5 HIBDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618781 938335683 /nfs/dbraw/zinc/33/56/83/938335683.db2.gz KQIDHCUAWDDSHS-UWJYYQICSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618781 938335685 /nfs/dbraw/zinc/33/56/85/938335685.db2.gz KQIDHCUAWDDSHS-UWJYYQICSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618781 938335686 /nfs/dbraw/zinc/33/56/86/938335686.db2.gz KQIDHCUAWDDSHS-UWJYYQICSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618781 938335689 /nfs/dbraw/zinc/33/56/89/938335689.db2.gz KQIDHCUAWDDSHS-UWJYYQICSA-N 2 2 413.518 4.097 20 5 HIBDLP CN(c1ccccc1)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000538795317 938713960 /nfs/dbraw/zinc/71/39/60/938713960.db2.gz URNXSCTZHBXUEA-KIFXHHALSA-N 2 2 424.545 4.046 20 5 HIBDLP CN(c1ccccc1)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000538795317 938713962 /nfs/dbraw/zinc/71/39/62/938713962.db2.gz URNXSCTZHBXUEA-KIFXHHALSA-N 2 2 424.545 4.046 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000237817384 854103202 /nfs/dbraw/zinc/10/32/02/854103202.db2.gz YDSBBEWRDKCHTN-OAHLLOKOSA-N 2 2 419.909 4.099 20 5 HIBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000468652797 882789677 /nfs/dbraw/zinc/78/96/77/882789677.db2.gz SKOFYKXHLWXTHH-RMWKRFJVSA-N 2 2 409.530 4.488 20 5 HIBDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531305 905815183 /nfs/dbraw/zinc/81/51/83/905815183.db2.gz ZKDKZZLXEDKPCB-AUUYWEPGSA-N 2 2 408.424 4.009 20 5 HIBDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531305 905815188 /nfs/dbraw/zinc/81/51/88/905815188.db2.gz ZKDKZZLXEDKPCB-AUUYWEPGSA-N 2 2 408.424 4.009 20 5 HIBDLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000515715663 923298083 /nfs/dbraw/zinc/29/80/83/923298083.db2.gz XEGJPHNDFKDHRB-UHFFFAOYSA-N 2 2 419.485 4.061 20 5 HIBDLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000521821424 929479333 /nfs/dbraw/zinc/47/93/33/929479333.db2.gz QXQUPJCQWXLFPX-UHFFFAOYSA-N 2 2 410.312 4.437 20 5 HIBDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000521821424 929479337 /nfs/dbraw/zinc/47/93/37/929479337.db2.gz QXQUPJCQWXLFPX-UHFFFAOYSA-N 2 2 410.312 4.437 20 5 HIBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@@H+]1C ZINC000525195140 930082948 /nfs/dbraw/zinc/08/29/48/930082948.db2.gz XSHOQUNHGZOBKB-QWHCGFSZSA-N 2 2 408.296 4.190 20 5 HIBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[N@H+]1C ZINC000525195140 930082952 /nfs/dbraw/zinc/08/29/52/930082952.db2.gz XSHOQUNHGZOBKB-QWHCGFSZSA-N 2 2 408.296 4.190 20 5 HIBDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618778 938335388 /nfs/dbraw/zinc/33/53/88/938335388.db2.gz KQIDHCUAWDDSHS-DYESRHJHSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618778 938335392 /nfs/dbraw/zinc/33/53/92/938335392.db2.gz KQIDHCUAWDDSHS-DYESRHJHSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618778 938335395 /nfs/dbraw/zinc/33/53/95/938335395.db2.gz KQIDHCUAWDDSHS-DYESRHJHSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618778 938335398 /nfs/dbraw/zinc/33/53/98/938335398.db2.gz KQIDHCUAWDDSHS-DYESRHJHSA-N 2 2 413.518 4.097 20 5 HIBDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000540244569 939164203 /nfs/dbraw/zinc/16/42/03/939164203.db2.gz AHYQUYPQRBUAIW-UHFFFAOYSA-N 2 2 408.502 4.293 20 5 HIBDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000540244569 939164218 /nfs/dbraw/zinc/16/42/18/939164218.db2.gz AHYQUYPQRBUAIW-UHFFFAOYSA-N 2 2 408.502 4.293 20 5 HIBDLP CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000541058308 939445027 /nfs/dbraw/zinc/44/50/27/939445027.db2.gz GNSUFWHQKBWLAH-OAHLLOKOSA-N 2 2 402.495 4.131 20 5 HIBDLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)C1 ZINC000071931705 852435474 /nfs/dbraw/zinc/43/54/74/852435474.db2.gz ULXCSYUQHLOGIM-QGZVFWFLSA-N 2 2 419.485 4.265 20 5 HIBDLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)C1 ZINC000071931705 852435478 /nfs/dbraw/zinc/43/54/78/852435478.db2.gz ULXCSYUQHLOGIM-QGZVFWFLSA-N 2 2 419.485 4.265 20 5 HIBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000432361998 859121676 /nfs/dbraw/zinc/12/16/76/859121676.db2.gz GPOHXLPYSZJSRK-OAHLLOKOSA-N 2 2 407.898 4.099 20 5 HIBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000432361998 859121681 /nfs/dbraw/zinc/12/16/81/859121681.db2.gz GPOHXLPYSZJSRK-OAHLLOKOSA-N 2 2 407.898 4.099 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)co2)cc1 ZINC000503430436 912428143 /nfs/dbraw/zinc/42/81/43/912428143.db2.gz CSRVLBBPZIATKF-QGZVFWFLSA-N 2 2 407.474 4.162 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)co2)cc1 ZINC000503430436 912428154 /nfs/dbraw/zinc/42/81/54/912428154.db2.gz CSRVLBBPZIATKF-QGZVFWFLSA-N 2 2 407.474 4.162 20 5 HIBDLP C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512386359 921123065 /nfs/dbraw/zinc/12/30/65/921123065.db2.gz FOQBRKWCZDEBGU-DOTOQJQBSA-N 2 2 400.548 4.461 20 5 HIBDLP C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512386359 921123067 /nfs/dbraw/zinc/12/30/67/921123067.db2.gz FOQBRKWCZDEBGU-DOTOQJQBSA-N 2 2 400.548 4.461 20 5 HIBDLP CC(C)c1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000538722358 938691589 /nfs/dbraw/zinc/69/15/89/938691589.db2.gz MHEZVWKFCIJJJD-UHFFFAOYSA-N 3 2 416.610 4.346 20 5 HIBDLP CC(C)c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000538722358 938691590 /nfs/dbraw/zinc/69/15/90/938691590.db2.gz MHEZVWKFCIJJJD-UHFFFAOYSA-N 3 2 416.610 4.346 20 5 HIBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000566530237 946033304 /nfs/dbraw/zinc/03/33/04/946033304.db2.gz YBAPVSIPTGVAOE-UHFFFAOYSA-N 2 2 416.485 4.166 20 5 HIBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000566530237 946033316 /nfs/dbraw/zinc/03/33/16/946033316.db2.gz YBAPVSIPTGVAOE-UHFFFAOYSA-N 2 2 416.485 4.166 20 5 HIBDLP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000303594564 855067248 /nfs/dbraw/zinc/06/72/48/855067248.db2.gz WDDLYHBOLCGGJB-HNNXBMFYSA-N 2 2 410.946 4.019 20 5 HIBDLP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000303594564 855067257 /nfs/dbraw/zinc/06/72/57/855067257.db2.gz WDDLYHBOLCGGJB-HNNXBMFYSA-N 2 2 410.946 4.019 20 5 HIBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000520955836 928888682 /nfs/dbraw/zinc/88/86/82/928888682.db2.gz YAUOYYHPDVQGCJ-CALCHBBNSA-N 2 2 417.481 4.115 20 5 HIBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000520955836 928888685 /nfs/dbraw/zinc/88/86/85/928888685.db2.gz YAUOYYHPDVQGCJ-CALCHBBNSA-N 2 2 417.481 4.115 20 5 HIBDLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH+]c2)CC1 ZINC000532866170 931671975 /nfs/dbraw/zinc/67/19/75/931671975.db2.gz YWLGZCNFAPNPIB-UHFFFAOYSA-N 2 2 421.501 4.392 20 5 HIBDLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)CC1CC1 ZINC000540050792 939050750 /nfs/dbraw/zinc/05/07/50/939050750.db2.gz YSTYSTSPBIRDPA-UHFFFAOYSA-N 2 2 422.957 4.021 20 5 HIBDLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1)CC1CC1 ZINC000540050792 939050753 /nfs/dbraw/zinc/05/07/53/939050753.db2.gz YSTYSTSPBIRDPA-UHFFFAOYSA-N 2 2 422.957 4.021 20 5 HIBDLP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542943264 939882851 /nfs/dbraw/zinc/88/28/51/939882851.db2.gz HFAWDEOIKKKONM-INIZCTEOSA-N 2 2 424.973 4.409 20 5 HIBDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000236932981 853939547 /nfs/dbraw/zinc/93/95/47/853939547.db2.gz FPKPXMIQBYRKMF-LJQANCHMSA-N 2 2 413.518 4.004 20 5 HIBDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000236932981 853939551 /nfs/dbraw/zinc/93/95/51/853939551.db2.gz FPKPXMIQBYRKMF-LJQANCHMSA-N 2 2 413.518 4.004 20 5 HIBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000435055052 860617878 /nfs/dbraw/zinc/61/78/78/860617878.db2.gz ARQNRZYNPMFBHB-UHFFFAOYSA-N 2 2 406.433 4.109 20 5 HIBDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531306 905815325 /nfs/dbraw/zinc/81/53/25/905815325.db2.gz ZKDKZZLXEDKPCB-IFXJQAMLSA-N 2 2 408.424 4.009 20 5 HIBDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494531306 905815326 /nfs/dbraw/zinc/81/53/26/905815326.db2.gz ZKDKZZLXEDKPCB-IFXJQAMLSA-N 2 2 408.424 4.009 20 5 HIBDLP CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000541058307 939445230 /nfs/dbraw/zinc/44/52/30/939445230.db2.gz GNSUFWHQKBWLAH-HNNXBMFYSA-N 2 2 402.495 4.131 20 5 HIBDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543904323 940234945 /nfs/dbraw/zinc/23/49/45/940234945.db2.gz MKBSUFKOSNWABR-OAHLLOKOSA-N 2 2 420.916 4.380 20 5 HIBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432347425 859113794 /nfs/dbraw/zinc/11/37/94/859113794.db2.gz NHEUBZPLPOBONM-KRWDZBQOSA-N 2 2 417.481 4.117 20 5 HIBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCO1 ZINC000432347425 859113801 /nfs/dbraw/zinc/11/38/01/859113801.db2.gz NHEUBZPLPOBONM-KRWDZBQOSA-N 2 2 417.481 4.117 20 5 HIBDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000460345160 872962819 /nfs/dbraw/zinc/96/28/19/872962819.db2.gz FQXDCJXZGABLGB-QZTJIDSGSA-N 2 2 420.513 4.496 20 5 HIBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000504899979 913632120 /nfs/dbraw/zinc/63/21/20/913632120.db2.gz PCAWTJABDHBUJF-HXUWFJFHSA-N 2 2 415.559 4.088 20 5 HIBDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)[nH+]c2)C1 ZINC000494728060 905926624 /nfs/dbraw/zinc/92/66/24/905926624.db2.gz CJQFZZRZMPFYDU-LADGPHEKSA-N 2 2 417.513 4.332 20 5 HIBDLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512354892 921099716 /nfs/dbraw/zinc/09/97/16/921099716.db2.gz MNNCYJOCTLOEAE-UHFFFAOYSA-N 2 2 422.485 4.216 20 5 HIBDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216736 884544299 /nfs/dbraw/zinc/54/42/99/884544299.db2.gz BPTZZYSNNMUQRD-BZSCIHHFSA-N 2 2 411.550 4.137 20 5 HIBDLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216736 884544308 /nfs/dbraw/zinc/54/43/08/884544308.db2.gz BPTZZYSNNMUQRD-BZSCIHHFSA-N 2 2 411.550 4.137 20 5 HIBDLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216736 884544314 /nfs/dbraw/zinc/54/43/14/884544314.db2.gz BPTZZYSNNMUQRD-BZSCIHHFSA-N 2 2 411.550 4.137 20 5 HIBDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000470216736 884544327 /nfs/dbraw/zinc/54/43/27/884544327.db2.gz BPTZZYSNNMUQRD-BZSCIHHFSA-N 2 2 411.550 4.137 20 5 HIBDLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510554527 918999367 /nfs/dbraw/zinc/99/93/67/918999367.db2.gz QYRJGFIYTUSDHQ-IBGZPJMESA-N 2 2 422.485 4.285 20 5 HIBDLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510554527 918999389 /nfs/dbraw/zinc/99/93/89/918999389.db2.gz QYRJGFIYTUSDHQ-IBGZPJMESA-N 2 2 422.485 4.285 20 5 HIBDLP CN(c1ccccc1)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000538795315 938714150 /nfs/dbraw/zinc/71/41/50/938714150.db2.gz URNXSCTZHBXUEA-BGWNEDDSSA-N 2 2 424.545 4.046 20 5 HIBDLP CN(c1ccccc1)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000538795315 938714154 /nfs/dbraw/zinc/71/41/54/938714154.db2.gz URNXSCTZHBXUEA-BGWNEDDSSA-N 2 2 424.545 4.046 20 5 HIBDLP COCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000237124908 853967890 /nfs/dbraw/zinc/96/78/90/853967890.db2.gz NVVOCCXAYRJOQV-UHFFFAOYSA-N 2 2 419.909 4.241 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000238012146 854133727 /nfs/dbraw/zinc/13/37/27/854133727.db2.gz MOTLWDPFSUDSQP-GOTSBHOMSA-N 2 2 417.513 4.164 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000238012146 854133736 /nfs/dbraw/zinc/13/37/36/854133736.db2.gz MOTLWDPFSUDSQP-GOTSBHOMSA-N 2 2 417.513 4.164 20 5 HIBDLP COc1cc(F)c([N+](=O)[O-])c(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000301968920 854506683 /nfs/dbraw/zinc/50/66/83/854506683.db2.gz ZIRVXPSSVRWYIF-UHFFFAOYSA-N 2 2 402.470 4.264 20 5 HIBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000460345159 872963267 /nfs/dbraw/zinc/96/32/67/872963267.db2.gz FQXDCJXZGABLGB-CYGODWOOSA-N 2 2 420.513 4.496 20 5 HIBDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000460345159 872963276 /nfs/dbraw/zinc/96/32/76/872963276.db2.gz FQXDCJXZGABLGB-CYGODWOOSA-N 2 2 420.513 4.496 20 5 HIBDLP Cn1cc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494435560 905720668 /nfs/dbraw/zinc/72/06/68/905720668.db2.gz IWJYHWNZCKGULW-DEOSSOPVSA-N 2 2 419.529 4.140 20 5 HIBDLP Cn1cc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494435560 905720685 /nfs/dbraw/zinc/72/06/85/905720685.db2.gz IWJYHWNZCKGULW-DEOSSOPVSA-N 2 2 419.529 4.140 20 5 HIBDLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2C1 ZINC000494510549 905802142 /nfs/dbraw/zinc/80/21/42/905802142.db2.gz YAHAWADUCVMNSE-UHFFFAOYSA-N 2 2 405.458 4.004 20 5 HIBDLP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2C1 ZINC000494510549 905802143 /nfs/dbraw/zinc/80/21/43/905802143.db2.gz YAHAWADUCVMNSE-UHFFFAOYSA-N 2 2 405.458 4.004 20 5 HIBDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494808903 906008587 /nfs/dbraw/zinc/00/85/87/906008587.db2.gz MWFJKPCDKIQRQN-OAHLLOKOSA-N 2 2 420.916 4.380 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000517537239 924252368 /nfs/dbraw/zinc/25/23/68/924252368.db2.gz MOTLWDPFSUDSQP-XZOQPEGZSA-N 2 2 417.513 4.164 20 5 HIBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000517537239 924252377 /nfs/dbraw/zinc/25/23/77/924252377.db2.gz MOTLWDPFSUDSQP-XZOQPEGZSA-N 2 2 417.513 4.164 20 5 HIBDLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000533484743 931881759 /nfs/dbraw/zinc/88/17/59/931881759.db2.gz YFGDEPLHSKIEOG-OAQYLSRUSA-N 2 2 419.485 4.186 20 5 HIBDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618779 938335208 /nfs/dbraw/zinc/33/52/08/938335208.db2.gz KQIDHCUAWDDSHS-LAUBAEHRSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618779 938335213 /nfs/dbraw/zinc/33/52/13/938335213.db2.gz KQIDHCUAWDDSHS-LAUBAEHRSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618779 938335219 /nfs/dbraw/zinc/33/52/19/938335219.db2.gz KQIDHCUAWDDSHS-LAUBAEHRSA-N 2 2 413.518 4.097 20 5 HIBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537618779 938335223 /nfs/dbraw/zinc/33/52/23/938335223.db2.gz KQIDHCUAWDDSHS-LAUBAEHRSA-N 2 2 413.518 4.097 20 5 HIBDLP CN(c1ccccc1)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000538795318 938714088 /nfs/dbraw/zinc/71/40/88/938714088.db2.gz URNXSCTZHBXUEA-ODGPQVTHSA-N 2 2 424.545 4.046 20 5 HIBDLP CN(c1ccccc1)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000538795318 938714090 /nfs/dbraw/zinc/71/40/90/938714090.db2.gz URNXSCTZHBXUEA-ODGPQVTHSA-N 2 2 424.545 4.046 20 5 HIBDLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000573767627 948293811 /nfs/dbraw/zinc/29/38/11/948293811.db2.gz WHPMUBSYKMOEFI-IBGZPJMESA-N 2 2 413.518 4.004 20 5 HIBDLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000573767627 948293814 /nfs/dbraw/zinc/29/38/14/948293814.db2.gz WHPMUBSYKMOEFI-IBGZPJMESA-N 2 2 413.518 4.004 20 5 HIBDLP