smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)c(Br)c1 ZINC000479966391 567572084 /nfs/dbraw/zinc/57/20/84/567572084.db2.gz WTOHPEGWKZRJPJ-TXEJJXNPSA-N 2 1 392.253 3.269 20 5 GGBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)c(Br)c1 ZINC000479966391 567572088 /nfs/dbraw/zinc/57/20/88/567572088.db2.gz WTOHPEGWKZRJPJ-TXEJJXNPSA-N 2 1 392.253 3.269 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074319630 1409871557 /nfs/dbraw/zinc/87/15/57/1409871557.db2.gz NEYAYFZZNVXRFI-INIZCTEOSA-N 2 1 376.501 3.366 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074319630 1409871560 /nfs/dbraw/zinc/87/15/60/1409871560.db2.gz NEYAYFZZNVXRFI-INIZCTEOSA-N 2 1 376.501 3.366 20 5 GGBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CC1 ZINC000093132956 1410224391 /nfs/dbraw/zinc/22/43/91/1410224391.db2.gz KGRXICZPMNOKNI-QGZVFWFLSA-N 2 1 384.480 3.067 20 5 GGBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000105476378 1411070425 /nfs/dbraw/zinc/07/04/25/1411070425.db2.gz VCEFXIYYMCWHNX-UHFFFAOYSA-N 2 1 388.537 3.441 20 5 GGBDMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000118832852 1413236541 /nfs/dbraw/zinc/23/65/41/1413236541.db2.gz YMJNVKLNFYRLFM-SFHVURJKSA-N 2 1 388.512 3.367 20 5 GGBDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000118832852 1413236559 /nfs/dbraw/zinc/23/65/59/1413236559.db2.gz YMJNVKLNFYRLFM-SFHVURJKSA-N 2 1 388.512 3.367 20 5 GGBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CC1 ZINC000119592207 1413496857 /nfs/dbraw/zinc/49/68/57/1413496857.db2.gz SRFPJDTVATYEJT-LJQANCHMSA-N 2 1 384.480 3.067 20 5 GGBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000120798230 1413906532 /nfs/dbraw/zinc/90/65/32/1413906532.db2.gz POYUBHUUAWKJJM-QGZVFWFLSA-N 2 1 385.512 3.453 20 5 GGBDMP C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000130427865 1416376262 /nfs/dbraw/zinc/37/62/62/1416376262.db2.gz NCCJQRSDCBTGKO-HUUCEWRRSA-N 2 1 392.475 3.305 20 5 GGBDMP C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000130428279 1416376393 /nfs/dbraw/zinc/37/63/93/1416376393.db2.gz NCCJQRSDCBTGKO-CABCVRRESA-N 2 1 392.475 3.305 20 5 GGBDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654496 1429129768 /nfs/dbraw/zinc/12/97/68/1429129768.db2.gz XBZXIEMAZUEGKN-JXFKEZNVSA-N 2 1 396.491 3.143 20 5 GGBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877180 1417138217 /nfs/dbraw/zinc/13/82/17/1417138217.db2.gz AYLSQYCDAFCMCR-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877180 1417138219 /nfs/dbraw/zinc/13/82/19/1417138219.db2.gz AYLSQYCDAFCMCR-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877180 1417138220 /nfs/dbraw/zinc/13/82/20/1417138220.db2.gz AYLSQYCDAFCMCR-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877180 1417138226 /nfs/dbraw/zinc/13/82/26/1417138226.db2.gz AYLSQYCDAFCMCR-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902099 1417141686 /nfs/dbraw/zinc/14/16/86/1417141686.db2.gz MPSZZWWAEFVIDN-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902099 1417141692 /nfs/dbraw/zinc/14/16/92/1417141692.db2.gz MPSZZWWAEFVIDN-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134902099 1417141698 /nfs/dbraw/zinc/14/16/98/1417141698.db2.gz MPSZZWWAEFVIDN-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134902099 1417141707 /nfs/dbraw/zinc/14/17/07/1417141707.db2.gz MPSZZWWAEFVIDN-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP CN1CCC([N@@H+](CCO)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000155493293 1423385348 /nfs/dbraw/zinc/38/53/48/1423385348.db2.gz WHEUETREBDOVMG-UHFFFAOYSA-N 2 1 375.494 3.212 20 5 GGBDMP C[NH+]1CCC(N(CCO)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000155493293 1423385358 /nfs/dbraw/zinc/38/53/58/1423385358.db2.gz WHEUETREBDOVMG-UHFFFAOYSA-N 2 1 375.494 3.212 20 5 GGBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)CC1 ZINC000155664634 1423475136 /nfs/dbraw/zinc/47/51/36/1423475136.db2.gz CSWKUPMKLRONSR-FQEVSTJZSA-N 2 1 391.515 3.158 20 5 GGBDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173402302 1426584904 /nfs/dbraw/zinc/58/49/04/1426584904.db2.gz YRMYTFZQYPPPFM-JXFKEZNVSA-N 2 1 396.491 3.143 20 5 GGBDMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173402317 1426585588 /nfs/dbraw/zinc/58/55/88/1426585588.db2.gz YRMYTFZQYPPPFM-UZLBHIALSA-N 2 1 396.491 3.143 20 5 GGBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974037 1426918832 /nfs/dbraw/zinc/91/88/32/1426918832.db2.gz WMFMYDCOGVSJNN-IBGZPJMESA-N 2 1 396.491 3.377 20 5 GGBDMP C[NH+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173974037 1426918839 /nfs/dbraw/zinc/91/88/39/1426918839.db2.gz WMFMYDCOGVSJNN-IBGZPJMESA-N 2 1 396.491 3.377 20 5 GGBDMP C[NH+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173974037 1426918844 /nfs/dbraw/zinc/91/88/44/1426918844.db2.gz WMFMYDCOGVSJNN-IBGZPJMESA-N 2 1 396.491 3.377 20 5 GGBDMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182267562 1430440020 /nfs/dbraw/zinc/44/00/20/1430440020.db2.gz YOOBRHIHFAUVMQ-UZLBHIALSA-N 2 1 399.491 3.411 20 5 GGBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000182269754 1430440332 /nfs/dbraw/zinc/44/03/32/1430440332.db2.gz ZRBWAPISMZVOBV-FCHUYYIVSA-N 2 1 395.503 3.272 20 5 GGBDMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000182783408 1430539059 /nfs/dbraw/zinc/53/90/59/1430539059.db2.gz ANLMAYIWAQDJFF-UHFFFAOYSA-N 2 1 376.501 3.367 20 5 GGBDMP C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669765 1431201120 /nfs/dbraw/zinc/20/11/20/1431201120.db2.gz VRRKKBPHUYXCGT-KBPBESRZSA-N 2 1 394.903 3.429 20 5 GGBDMP C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669765 1431201124 /nfs/dbraw/zinc/20/11/24/1431201124.db2.gz VRRKKBPHUYXCGT-KBPBESRZSA-N 2 1 394.903 3.429 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753517 1431225101 /nfs/dbraw/zinc/22/51/01/1431225101.db2.gz VJPXNRGKLZGHPS-SJORKVTESA-N 2 1 388.512 3.474 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753483 1431225127 /nfs/dbraw/zinc/22/51/27/1431225127.db2.gz VJPXNRGKLZGHPS-IAGOWNOFSA-N 2 1 388.512 3.474 20 5 GGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191473056 1432668213 /nfs/dbraw/zinc/66/82/13/1432668213.db2.gz QLQFOAYOWHNUDG-UHFFFAOYSA-N 2 1 387.484 3.403 20 5 GGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191473056 1432668215 /nfs/dbraw/zinc/66/82/15/1432668215.db2.gz QLQFOAYOWHNUDG-UHFFFAOYSA-N 2 1 387.484 3.403 20 5 GGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000191477102 1432668813 /nfs/dbraw/zinc/66/88/13/1432668813.db2.gz MZMXDFREBZYCOA-UHFFFAOYSA-N 2 1 391.447 3.234 20 5 GGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000191477102 1432668815 /nfs/dbraw/zinc/66/88/15/1432668815.db2.gz MZMXDFREBZYCOA-UHFFFAOYSA-N 2 1 391.447 3.234 20 5 GGBDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)O1 ZINC000237667887 1433415881 /nfs/dbraw/zinc/41/58/81/1433415881.db2.gz AWCFONDOOMLCDY-OKILXGFUSA-N 2 1 387.427 3.175 20 5 GGBDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237681644 1433416686 /nfs/dbraw/zinc/41/66/86/1433416686.db2.gz XKKNNBNVTQFGCN-CALCHBBNSA-N 2 1 385.512 3.453 20 5 GGBDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237681644 1433416687 /nfs/dbraw/zinc/41/66/87/1433416687.db2.gz XKKNNBNVTQFGCN-CALCHBBNSA-N 2 1 385.512 3.453 20 5 GGBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)s1 ZINC000238151679 1433444329 /nfs/dbraw/zinc/44/43/29/1433444329.db2.gz DUBYWDJSOOIOJQ-UHFFFAOYSA-N 2 1 375.494 3.260 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248462817 1433804898 /nfs/dbraw/zinc/80/48/98/1433804898.db2.gz YOOBRHIHFAUVMQ-OXJNMPFZSA-N 2 1 399.491 3.411 20 5 GGBDMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000291696053 566230660 /nfs/dbraw/zinc/23/06/60/566230660.db2.gz YNNUYUGOERETHS-UHFFFAOYSA-N 2 1 375.300 3.017 20 5 GGBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066795622 1408917313 /nfs/dbraw/zinc/91/73/13/1408917313.db2.gz YBRBXWSMWATKEX-UHFFFAOYSA-N 2 1 394.479 3.395 20 5 GGBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066795622 1408917320 /nfs/dbraw/zinc/91/73/20/1408917320.db2.gz YBRBXWSMWATKEX-UHFFFAOYSA-N 2 1 394.479 3.395 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074319631 1409871716 /nfs/dbraw/zinc/87/17/16/1409871716.db2.gz NEYAYFZZNVXRFI-MRXNPFEDSA-N 2 1 376.501 3.366 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074319631 1409871719 /nfs/dbraw/zinc/87/17/19/1409871719.db2.gz NEYAYFZZNVXRFI-MRXNPFEDSA-N 2 1 376.501 3.366 20 5 GGBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000101602694 1410475340 /nfs/dbraw/zinc/47/53/40/1410475340.db2.gz XCQCSSLEOOKMEA-HNNXBMFYSA-N 2 1 397.907 3.128 20 5 GGBDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000106126642 1411172808 /nfs/dbraw/zinc/17/28/08/1411172808.db2.gz MFXRFVKUJQAFRM-QGZVFWFLSA-N 2 1 394.515 3.471 20 5 GGBDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@H](C)O1 ZINC000177039980 1428564614 /nfs/dbraw/zinc/56/46/14/1428564614.db2.gz QJQIOVZGLIFGRV-GASCZTMLSA-N 2 1 388.468 3.057 20 5 GGBDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@H](C)O1 ZINC000177039980 1428564621 /nfs/dbraw/zinc/56/46/21/1428564621.db2.gz QJQIOVZGLIFGRV-GASCZTMLSA-N 2 1 388.468 3.057 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114475663 1412441028 /nfs/dbraw/zinc/44/10/28/1412441028.db2.gz CAULLJRKBJBDMK-UHFFFAOYSA-N 2 1 376.501 3.367 20 5 GGBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120263900 1413758644 /nfs/dbraw/zinc/75/86/44/1413758644.db2.gz KPIYWDLHJZAGEO-KRWDZBQOSA-N 2 1 391.516 3.091 20 5 GGBDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000177495107 1428768671 /nfs/dbraw/zinc/76/86/71/1428768671.db2.gz RUVNKFUHUMDIIC-HZPDHXFCSA-N 2 1 379.476 3.445 20 5 GGBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000123581804 1414782935 /nfs/dbraw/zinc/78/29/35/1414782935.db2.gz METJUNKXOJLFIS-INIZCTEOSA-N 2 1 376.501 3.284 20 5 GGBDMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128691057 1416043742 /nfs/dbraw/zinc/04/37/42/1416043742.db2.gz DHZJIXOXXZTUSM-HNNXBMFYSA-N 2 1 378.448 3.013 20 5 GGBDMP C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000130428049 1416376596 /nfs/dbraw/zinc/37/65/96/1416376596.db2.gz NCCJQRSDCBTGKO-GJZGRUSLSA-N 2 1 392.475 3.305 20 5 GGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130433391 1416377306 /nfs/dbraw/zinc/37/73/06/1416377306.db2.gz DPPYGWQTMDRZMU-GFCCVEGCSA-N 2 1 379.848 3.102 20 5 GGBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130433391 1416377312 /nfs/dbraw/zinc/37/73/12/1416377312.db2.gz DPPYGWQTMDRZMU-GFCCVEGCSA-N 2 1 379.848 3.102 20 5 GGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130433163 1416377618 /nfs/dbraw/zinc/37/76/18/1416377618.db2.gz DPPYGWQTMDRZMU-LBPRGKRZSA-N 2 1 379.848 3.102 20 5 GGBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130433163 1416377620 /nfs/dbraw/zinc/37/76/20/1416377620.db2.gz DPPYGWQTMDRZMU-LBPRGKRZSA-N 2 1 379.848 3.102 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000172908956 1426253861 /nfs/dbraw/zinc/25/38/61/1426253861.db2.gz FTTKQZIIIMFZPY-UHFFFAOYSA-N 2 1 386.500 3.255 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000172908956 1426253871 /nfs/dbraw/zinc/25/38/71/1426253871.db2.gz FTTKQZIIIMFZPY-UHFFFAOYSA-N 2 1 386.500 3.255 20 5 GGBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000182269732 1430440479 /nfs/dbraw/zinc/44/04/79/1430440479.db2.gz ZRBWAPISMZVOBV-VXKWHMMOSA-N 2 1 395.503 3.272 20 5 GGBDMP COc1ccc(OCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695196 1431208287 /nfs/dbraw/zinc/20/82/87/1431208287.db2.gz REJGYLCWEAXYPN-HZPDHXFCSA-N 2 1 377.485 3.225 20 5 GGBDMP Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729177 1431217552 /nfs/dbraw/zinc/21/75/52/1431217552.db2.gz YPINAUVXJACSLP-BRWVUGGUSA-N 2 1 388.512 3.473 20 5 GGBDMP Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729177 1431217560 /nfs/dbraw/zinc/21/75/60/1431217560.db2.gz YPINAUVXJACSLP-BRWVUGGUSA-N 2 1 388.512 3.473 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185729053 1431217752 /nfs/dbraw/zinc/21/77/52/1431217752.db2.gz KUJNYLGGZYJEPQ-DLBZAZTESA-N 2 1 388.512 3.474 20 5 GGBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000193277615 1432973036 /nfs/dbraw/zinc/97/30/36/1432973036.db2.gz FWALDWKVHGVLAT-UNMCSNQZSA-N 2 1 381.476 3.329 20 5 GGBDMP Cn1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245692485 1433500656 /nfs/dbraw/zinc/50/06/56/1433500656.db2.gz AUXAHWMFURVTPJ-LAUBAEHRSA-N 2 1 395.507 3.444 20 5 GGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000246024803 1433558886 /nfs/dbraw/zinc/55/88/86/1433558886.db2.gz KRCHYAGLCQXYFI-UWVAXJGDSA-N 2 1 396.491 3.025 20 5 GGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000246024803 1433558891 /nfs/dbraw/zinc/55/88/91/1433558891.db2.gz KRCHYAGLCQXYFI-UWVAXJGDSA-N 2 1 396.491 3.025 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246796864 1433668504 /nfs/dbraw/zinc/66/85/04/1433668504.db2.gz MPSZZWWAEFVIDN-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246796864 1433668505 /nfs/dbraw/zinc/66/85/05/1433668505.db2.gz MPSZZWWAEFVIDN-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246796864 1433668506 /nfs/dbraw/zinc/66/85/06/1433668506.db2.gz MPSZZWWAEFVIDN-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246796864 1433668507 /nfs/dbraw/zinc/66/85/07/1433668507.db2.gz MPSZZWWAEFVIDN-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246843835 1433677424 /nfs/dbraw/zinc/67/74/24/1433677424.db2.gz OTWWRNBFUXHJMY-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246843835 1433677425 /nfs/dbraw/zinc/67/74/25/1433677425.db2.gz OTWWRNBFUXHJMY-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246843835 1433677426 /nfs/dbraw/zinc/67/74/26/1433677426.db2.gz OTWWRNBFUXHJMY-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246843835 1433677427 /nfs/dbraw/zinc/67/74/27/1433677427.db2.gz OTWWRNBFUXHJMY-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000248614727 1433811524 /nfs/dbraw/zinc/81/15/24/1433811524.db2.gz YPINAUVXJACSLP-ULQDDVLXSA-N 2 1 388.512 3.473 20 5 GGBDMP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000248614727 1433811526 /nfs/dbraw/zinc/81/15/26/1433811526.db2.gz YPINAUVXJACSLP-ULQDDVLXSA-N 2 1 388.512 3.473 20 5 GGBDMP N[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1c1ccccc1 ZINC000261725131 1433900115 /nfs/dbraw/zinc/90/01/15/1433900115.db2.gz FIOYECILCDMRER-RBUKOAKNSA-N 2 1 378.432 3.219 20 5 GGBDMP N[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1c1ccccc1 ZINC000261725131 1433900118 /nfs/dbraw/zinc/90/01/18/1433900118.db2.gz FIOYECILCDMRER-RBUKOAKNSA-N 2 1 378.432 3.219 20 5 GGBDMP [NH3+]C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1c1ccccc1 ZINC000261856417 1433907128 /nfs/dbraw/zinc/90/71/28/1433907128.db2.gz VXGZLHKWCJYBRX-QUCCMNQESA-N 2 1 392.459 3.467 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271497453 1434829608 /nfs/dbraw/zinc/82/96/08/1434829608.db2.gz LLCNVZGWLUNELL-POZUXBRTSA-N 2 1 377.485 3.022 20 5 GGBDMP COc1cc(C[NH2+]CCCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272417853 1434895119 /nfs/dbraw/zinc/89/51/19/1434895119.db2.gz LNZYNIOEHGGGSH-UHFFFAOYSA-N 2 1 398.410 3.322 20 5 GGBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH2+]CC3)o2)c(Br)c1 ZINC000414790784 565961102 /nfs/dbraw/zinc/96/11/02/565961102.db2.gz QDKJQVHSLOKMCP-UHFFFAOYSA-N 2 1 380.242 3.459 20 5 GGBDMP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000290845139 566192176 /nfs/dbraw/zinc/19/21/76/566192176.db2.gz JFLIHLLDMPLQJS-AWEZNQCLSA-N 2 1 376.284 3.228 20 5 GGBDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435379671 567357358 /nfs/dbraw/zinc/35/73/58/567357358.db2.gz JWTWGFARJIQVIT-NSHDSACASA-N 2 1 380.242 3.398 20 5 GGBDMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093563630 1410253683 /nfs/dbraw/zinc/25/36/83/1410253683.db2.gz OUKRBHXIPRXNMG-IBGZPJMESA-N 2 1 383.496 3.446 20 5 GGBDMP Cn1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093563630 1410253688 /nfs/dbraw/zinc/25/36/88/1410253688.db2.gz OUKRBHXIPRXNMG-IBGZPJMESA-N 2 1 383.496 3.446 20 5 GGBDMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093683372 1410259115 /nfs/dbraw/zinc/25/91/15/1410259115.db2.gz CYGDJNNFZCGLMO-QGZVFWFLSA-N 2 1 383.496 3.303 20 5 GGBDMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093683372 1410259119 /nfs/dbraw/zinc/25/91/19/1410259119.db2.gz CYGDJNNFZCGLMO-QGZVFWFLSA-N 2 1 383.496 3.303 20 5 GGBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)CC1 ZINC000119605752 1413501586 /nfs/dbraw/zinc/50/15/86/1413501586.db2.gz DVTGYMTXFFHZOO-LJQANCHMSA-N 2 1 384.480 3.067 20 5 GGBDMP COc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000177479088 1428760528 /nfs/dbraw/zinc/76/05/28/1428760528.db2.gz ZMAHKDXFAQXPRU-CALCHBBNSA-N 2 1 391.512 3.315 20 5 GGBDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177495091 1428768787 /nfs/dbraw/zinc/76/87/87/1428768787.db2.gz RUVNKFUHUMDIIC-HOTGVXAUSA-N 2 1 379.476 3.445 20 5 GGBDMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000121198194 1414041427 /nfs/dbraw/zinc/04/14/27/1414041427.db2.gz FJECZTGTOJAPIU-UHFFFAOYSA-N 2 1 385.464 3.366 20 5 GGBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177510934 1428776868 /nfs/dbraw/zinc/77/68/68/1428776868.db2.gz CSGZGTOLVNGMMY-HDICACEKSA-N 2 1 391.512 3.185 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121798622 1414261289 /nfs/dbraw/zinc/26/12/89/1414261289.db2.gz ZCAQFDFSWXCVLV-UHFFFAOYSA-N 2 1 388.512 3.430 20 5 GGBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127685925 1415832654 /nfs/dbraw/zinc/83/26/54/1415832654.db2.gz JMAKDXXCBWVWKL-QGZVFWFLSA-N 2 1 391.516 3.091 20 5 GGBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179390425 1429355275 /nfs/dbraw/zinc/35/52/75/1429355275.db2.gz NKXXWJIMKOVMRP-UHFFFAOYSA-N 2 1 397.479 3.167 20 5 GGBDMP C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669783 1431201190 /nfs/dbraw/zinc/20/11/90/1431201190.db2.gz VRRKKBPHUYXCGT-KGLIPLIRSA-N 2 1 394.903 3.429 20 5 GGBDMP C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669783 1431201192 /nfs/dbraw/zinc/20/11/92/1431201192.db2.gz VRRKKBPHUYXCGT-KGLIPLIRSA-N 2 1 394.903 3.429 20 5 GGBDMP Cc1c(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185685647 1431205372 /nfs/dbraw/zinc/20/53/72/1431205372.db2.gz QTCYLEXSPTXGSA-IRXDYDNUSA-N 2 1 388.512 3.474 20 5 GGBDMP COc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695182 1431208338 /nfs/dbraw/zinc/20/83/38/1431208338.db2.gz REJGYLCWEAXYPN-JKSUJKDBSA-N 2 1 377.485 3.225 20 5 GGBDMP Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729136 1431217388 /nfs/dbraw/zinc/21/73/88/1431217388.db2.gz YPINAUVXJACSLP-GVDBMIGSSA-N 2 1 388.512 3.473 20 5 GGBDMP Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729136 1431217393 /nfs/dbraw/zinc/21/73/93/1431217393.db2.gz YPINAUVXJACSLP-GVDBMIGSSA-N 2 1 388.512 3.473 20 5 GGBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192925519 1432908674 /nfs/dbraw/zinc/90/86/74/1432908674.db2.gz FVNBTALMTAUAED-MJGOQNOKSA-N 2 1 396.491 3.424 20 5 GGBDMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000245472145 1433474708 /nfs/dbraw/zinc/47/47/08/1433474708.db2.gz YRMYTFZQYPPPFM-OXQOHEQNSA-N 2 1 396.491 3.143 20 5 GGBDMP CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245708009 1433503519 /nfs/dbraw/zinc/50/35/19/1433503519.db2.gz MWHXJCPOAJYSOE-JKSUJKDBSA-N 2 1 394.541 3.066 20 5 GGBDMP Cc1c(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281541 1433589508 /nfs/dbraw/zinc/58/95/08/1433589508.db2.gz AYLSQYCDAFCMCR-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281541 1433589510 /nfs/dbraw/zinc/58/95/10/1433589510.db2.gz AYLSQYCDAFCMCR-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281541 1433589511 /nfs/dbraw/zinc/58/95/11/1433589511.db2.gz AYLSQYCDAFCMCR-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281541 1433589513 /nfs/dbraw/zinc/58/95/13/1433589513.db2.gz AYLSQYCDAFCMCR-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247335447 1433709165 /nfs/dbraw/zinc/70/91/65/1433709165.db2.gz VXDBCCHGASECCK-GJZGRUSLSA-N 2 1 396.451 3.394 20 5 GGBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247335447 1433709166 /nfs/dbraw/zinc/70/91/66/1433709166.db2.gz VXDBCCHGASECCK-GJZGRUSLSA-N 2 1 396.451 3.394 20 5 GGBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000248464915 1433805168 /nfs/dbraw/zinc/80/51/68/1433805168.db2.gz ZRBWAPISMZVOBV-YADHBBJMSA-N 2 1 395.503 3.272 20 5 GGBDMP Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000248614722 1433811642 /nfs/dbraw/zinc/81/16/42/1433811642.db2.gz YPINAUVXJACSLP-IKGGRYGDSA-N 2 1 388.512 3.473 20 5 GGBDMP Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000248614722 1433811643 /nfs/dbraw/zinc/81/16/43/1433811643.db2.gz YPINAUVXJACSLP-IKGGRYGDSA-N 2 1 388.512 3.473 20 5 GGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000248824642 1433824123 /nfs/dbraw/zinc/82/41/23/1433824123.db2.gz FWALDWKVHGVLAT-IFMALSPDSA-N 2 1 381.476 3.329 20 5 GGBDMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261944161 1433914670 /nfs/dbraw/zinc/91/46/70/1433914670.db2.gz FCPPPLQTGJTWKE-QFIPXVFZSA-N 2 1 397.475 3.368 20 5 GGBDMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261944161 1433914675 /nfs/dbraw/zinc/91/46/75/1433914675.db2.gz FCPPPLQTGJTWKE-QFIPXVFZSA-N 2 1 397.475 3.368 20 5 GGBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000271204733 1434807973 /nfs/dbraw/zinc/80/79/73/1434807973.db2.gz ZVZWNZHVYCFRGS-GOSISDBHSA-N 2 1 394.585 3.473 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271497455 1434829687 /nfs/dbraw/zinc/82/96/87/1434829687.db2.gz LLCNVZGWLUNELL-UCLAIMLFSA-N 2 1 377.485 3.022 20 5 GGBDMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272373080 1434891159 /nfs/dbraw/zinc/89/11/59/1434891159.db2.gz GULANYMGCMJZEE-GFCCVEGCSA-N 2 1 398.410 3.178 20 5 GGBDMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217934 1436004783 /nfs/dbraw/zinc/00/47/83/1436004783.db2.gz TVUPSJSYWALLDN-CVEARBPZSA-N 2 1 384.480 3.249 20 5 GGBDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217934 1436004786 /nfs/dbraw/zinc/00/47/86/1436004786.db2.gz TVUPSJSYWALLDN-CVEARBPZSA-N 2 1 384.480 3.249 20 5 GGBDMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290851512 566192817 /nfs/dbraw/zinc/19/28/17/566192817.db2.gz JQRWWHNEFUBGKS-UHFFFAOYSA-N 2 1 389.327 3.409 20 5 GGBDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000600775371 566366130 /nfs/dbraw/zinc/36/61/30/566366130.db2.gz NGMVJVHWGAIIGF-UHFFFAOYSA-N 2 1 398.257 3.024 20 5 GGBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000057843993 1407735914 /nfs/dbraw/zinc/73/59/14/1407735914.db2.gz KNWAHVPNBRPJNF-UHFFFAOYSA-N 2 1 396.491 3.038 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074319819 1409871544 /nfs/dbraw/zinc/87/15/44/1409871544.db2.gz DJJUXEKZVUJHDL-MRXNPFEDSA-N 2 1 376.501 3.366 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074319819 1409871546 /nfs/dbraw/zinc/87/15/46/1409871546.db2.gz DJJUXEKZVUJHDL-MRXNPFEDSA-N 2 1 376.501 3.366 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000074319627 1409871573 /nfs/dbraw/zinc/87/15/73/1409871573.db2.gz CBHZPQPPXQJVRK-MRXNPFEDSA-N 2 1 376.501 3.366 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000074319627 1409871576 /nfs/dbraw/zinc/87/15/76/1409871576.db2.gz CBHZPQPPXQJVRK-MRXNPFEDSA-N 2 1 376.501 3.366 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074319757 1409871593 /nfs/dbraw/zinc/87/15/93/1409871593.db2.gz FINGLYLQEFDRQZ-UHFFFAOYSA-N 2 1 376.501 3.367 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114475765 1412440812 /nfs/dbraw/zinc/44/08/12/1412440812.db2.gz NNTADZKZOFJSOX-UHFFFAOYSA-N 2 1 376.501 3.002 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114475765 1412440814 /nfs/dbraw/zinc/44/08/14/1412440814.db2.gz NNTADZKZOFJSOX-UHFFFAOYSA-N 2 1 376.501 3.002 20 5 GGBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CC1 ZINC000119592337 1413496743 /nfs/dbraw/zinc/49/67/43/1413496743.db2.gz SRFPJDTVATYEJT-IBGZPJMESA-N 2 1 384.480 3.067 20 5 GGBDMP C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000130427658 1416376326 /nfs/dbraw/zinc/37/63/26/1416376326.db2.gz NCCJQRSDCBTGKO-LSDHHAIUSA-N 2 1 392.475 3.305 20 5 GGBDMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654510 1429130020 /nfs/dbraw/zinc/13/00/20/1429130020.db2.gz XBZXIEMAZUEGKN-UZLBHIALSA-N 2 1 396.491 3.143 20 5 GGBDMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000153875796 1422803381 /nfs/dbraw/zinc/80/33/81/1422803381.db2.gz HGRURWMDAVWDCQ-CVEARBPZSA-N 2 1 377.485 3.145 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000153876112 1422803541 /nfs/dbraw/zinc/80/35/41/1422803541.db2.gz HGRURWMDAVWDCQ-JKSUJKDBSA-N 2 1 377.485 3.145 20 5 GGBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963310 1426912883 /nfs/dbraw/zinc/91/28/83/1426912883.db2.gz QMYDGQVSGMYSDW-UHFFFAOYSA-N 2 1 391.512 3.459 20 5 GGBDMP C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180399253 1429857013 /nfs/dbraw/zinc/85/70/13/1429857013.db2.gz KRCHYAGLCQXYFI-ABSDTBQOSA-N 2 1 396.491 3.025 20 5 GGBDMP C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180399253 1429857015 /nfs/dbraw/zinc/85/70/15/1429857015.db2.gz KRCHYAGLCQXYFI-ABSDTBQOSA-N 2 1 396.491 3.025 20 5 GGBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000182963543 1430581629 /nfs/dbraw/zinc/58/16/29/1430581629.db2.gz GWBYMDHHBKYFLD-UHFFFAOYSA-N 2 1 379.504 3.016 20 5 GGBDMP Cc1c(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185685606 1431205345 /nfs/dbraw/zinc/20/53/45/1431205345.db2.gz QTCYLEXSPTXGSA-DLBZAZTESA-N 2 1 388.512 3.474 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753498 1431225021 /nfs/dbraw/zinc/22/50/21/1431225021.db2.gz VJPXNRGKLZGHPS-IRXDYDNUSA-N 2 1 388.512 3.474 20 5 GGBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192925503 1432908583 /nfs/dbraw/zinc/90/85/83/1432908583.db2.gz FVNBTALMTAUAED-HKUYNNGSSA-N 2 1 396.491 3.424 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271497458 1434829692 /nfs/dbraw/zinc/82/96/92/1434829692.db2.gz LLCNVZGWLUNELL-YJLNNSPDSA-N 2 1 377.485 3.022 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271497451 1434829732 /nfs/dbraw/zinc/82/97/32/1434829732.db2.gz LLCNVZGWLUNELL-FNHZYXHNSA-N 2 1 377.485 3.022 20 5 GGBDMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272373083 1434891192 /nfs/dbraw/zinc/89/11/92/1434891192.db2.gz GULANYMGCMJZEE-LBPRGKRZSA-N 2 1 398.410 3.178 20 5 GGBDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@@H](C)O1 ZINC000177040016 1428564684 /nfs/dbraw/zinc/56/46/84/1428564684.db2.gz QJQIOVZGLIFGRV-HUUCEWRRSA-N 2 1 388.468 3.057 20 5 GGBDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000120207129 1413730656 /nfs/dbraw/zinc/73/06/56/1413730656.db2.gz FDPCKPIXJJQSLE-SFHVURJKSA-N 2 1 388.512 3.367 20 5 GGBDMP CN(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121856334 1414279794 /nfs/dbraw/zinc/27/97/94/1414279794.db2.gz BZBILFATPPFCSO-UHFFFAOYSA-N 2 1 388.512 3.146 20 5 GGBDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000126505068 1415472987 /nfs/dbraw/zinc/47/29/87/1415472987.db2.gz YGYSJJNQULKQFW-UHFFFAOYSA-N 2 1 392.463 3.243 20 5 GGBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127686193 1415833069 /nfs/dbraw/zinc/83/30/69/1415833069.db2.gz JMAKDXXCBWVWKL-KRWDZBQOSA-N 2 1 391.516 3.091 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902120 1417141882 /nfs/dbraw/zinc/14/18/82/1417141882.db2.gz MPSZZWWAEFVIDN-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902120 1417141883 /nfs/dbraw/zinc/14/18/83/1417141883.db2.gz MPSZZWWAEFVIDN-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134902120 1417141886 /nfs/dbraw/zinc/14/18/86/1417141886.db2.gz MPSZZWWAEFVIDN-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134902120 1417141888 /nfs/dbraw/zinc/14/18/88/1417141888.db2.gz MPSZZWWAEFVIDN-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179392994 1429356946 /nfs/dbraw/zinc/35/69/46/1429356946.db2.gz GRMYJVOMVICHQZ-NRFANRHFSA-N 2 1 384.480 3.262 20 5 GGBDMP O=[N+]([O-])c1cn(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc1-c1ccncc1 ZINC000155073262 1423146178 /nfs/dbraw/zinc/14/61/78/1423146178.db2.gz KDWYHDMOXYOTPL-UHFFFAOYSA-N 2 1 398.511 3.399 20 5 GGBDMP COc1ccc(OCC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403759 1427142502 /nfs/dbraw/zinc/14/25/02/1427142502.db2.gz FFBJBDYHRPDCCL-LJQANCHMSA-N 2 1 399.491 3.436 20 5 GGBDMP COc1ccc(OCC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403759 1427142506 /nfs/dbraw/zinc/14/25/06/1427142506.db2.gz FFBJBDYHRPDCCL-LJQANCHMSA-N 2 1 399.491 3.436 20 5 GGBDMP COc1ccc(OCC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403759 1427142512 /nfs/dbraw/zinc/14/25/12/1427142512.db2.gz FFBJBDYHRPDCCL-LJQANCHMSA-N 2 1 399.491 3.436 20 5 GGBDMP COc1ccc(OCC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403759 1427142520 /nfs/dbraw/zinc/14/25/20/1427142520.db2.gz FFBJBDYHRPDCCL-LJQANCHMSA-N 2 1 399.491 3.436 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000181413330 1430291939 /nfs/dbraw/zinc/29/19/39/1430291939.db2.gz LXBWOEHWMBTYAU-QSFXBCCZSA-N 2 1 391.512 3.412 20 5 GGBDMP C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669747 1431201024 /nfs/dbraw/zinc/20/10/24/1431201024.db2.gz VRRKKBPHUYXCGT-ZIAGYGMSSA-N 2 1 394.903 3.429 20 5 GGBDMP C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669747 1431201026 /nfs/dbraw/zinc/20/10/26/1431201026.db2.gz VRRKKBPHUYXCGT-ZIAGYGMSSA-N 2 1 394.903 3.429 20 5 GGBDMP C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669726 1431201407 /nfs/dbraw/zinc/20/14/07/1431201407.db2.gz VRRKKBPHUYXCGT-UONOGXRCSA-N 2 1 394.903 3.429 20 5 GGBDMP C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669726 1431201410 /nfs/dbraw/zinc/20/14/10/1431201410.db2.gz VRRKKBPHUYXCGT-UONOGXRCSA-N 2 1 394.903 3.429 20 5 GGBDMP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729156 1431217501 /nfs/dbraw/zinc/21/75/01/1431217501.db2.gz YPINAUVXJACSLP-YESZJQIVSA-N 2 1 388.512 3.473 20 5 GGBDMP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729156 1431217506 /nfs/dbraw/zinc/21/75/06/1431217506.db2.gz YPINAUVXJACSLP-YESZJQIVSA-N 2 1 388.512 3.473 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185729072 1431217668 /nfs/dbraw/zinc/21/76/68/1431217668.db2.gz KUJNYLGGZYJEPQ-IAGOWNOFSA-N 2 1 388.512 3.474 20 5 GGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191481794 1432669174 /nfs/dbraw/zinc/66/91/74/1432669174.db2.gz WSUSSQDNAIYNNC-UHFFFAOYSA-N 2 1 387.484 3.403 20 5 GGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191481794 1432669179 /nfs/dbraw/zinc/66/91/79/1432669179.db2.gz WSUSSQDNAIYNNC-UHFFFAOYSA-N 2 1 387.484 3.403 20 5 GGBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192925541 1432908631 /nfs/dbraw/zinc/90/86/31/1432908631.db2.gz FVNBTALMTAUAED-IEBWSBKVSA-N 2 1 396.491 3.424 20 5 GGBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCC(O)CC3)s2)cc1 ZINC000238151098 1433444346 /nfs/dbraw/zinc/44/43/46/1433444346.db2.gz UQJDDLTZNGNXLC-UHFFFAOYSA-N 2 1 375.494 3.260 20 5 GGBDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000245472144 1433474750 /nfs/dbraw/zinc/47/47/50/1433474750.db2.gz YRMYTFZQYPPPFM-OXJNMPFZSA-N 2 1 396.491 3.143 20 5 GGBDMP Cc1c(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281572 1433589315 /nfs/dbraw/zinc/58/93/15/1433589315.db2.gz AYLSQYCDAFCMCR-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281572 1433589318 /nfs/dbraw/zinc/58/93/18/1433589318.db2.gz AYLSQYCDAFCMCR-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281572 1433589321 /nfs/dbraw/zinc/58/93/21/1433589321.db2.gz AYLSQYCDAFCMCR-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281572 1433589324 /nfs/dbraw/zinc/58/93/24/1433589324.db2.gz AYLSQYCDAFCMCR-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246843813 1433677402 /nfs/dbraw/zinc/67/74/02/1433677402.db2.gz OTWWRNBFUXHJMY-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246843813 1433677406 /nfs/dbraw/zinc/67/74/06/1433677406.db2.gz OTWWRNBFUXHJMY-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246843813 1433677410 /nfs/dbraw/zinc/67/74/10/1433677410.db2.gz OTWWRNBFUXHJMY-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246843813 1433677411 /nfs/dbraw/zinc/67/74/11/1433677411.db2.gz OTWWRNBFUXHJMY-JXFKEZNVSA-N 2 1 386.496 3.181 20 5 GGBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247335439 1433709266 /nfs/dbraw/zinc/70/92/66/1433709266.db2.gz VXDBCCHGASECCK-CABCVRRESA-N 2 1 396.451 3.394 20 5 GGBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247335439 1433709271 /nfs/dbraw/zinc/70/92/71/1433709271.db2.gz VXDBCCHGASECCK-CABCVRRESA-N 2 1 396.451 3.394 20 5 GGBDMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248462819 1433804827 /nfs/dbraw/zinc/80/48/27/1433804827.db2.gz YOOBRHIHFAUVMQ-OXQOHEQNSA-N 2 1 399.491 3.411 20 5 GGBDMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261944159 1433914689 /nfs/dbraw/zinc/91/46/89/1433914689.db2.gz FCPPPLQTGJTWKE-JOCHJYFZSA-N 2 1 397.475 3.368 20 5 GGBDMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261944159 1433914698 /nfs/dbraw/zinc/91/46/98/1433914698.db2.gz FCPPPLQTGJTWKE-JOCHJYFZSA-N 2 1 397.475 3.368 20 5 GGBDMP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000262098578 1433927123 /nfs/dbraw/zinc/92/71/23/1433927123.db2.gz VJOSTVJMJUWXMQ-JOCHJYFZSA-N 2 1 397.475 3.368 20 5 GGBDMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000262098578 1433927126 /nfs/dbraw/zinc/92/71/26/1433927126.db2.gz VJOSTVJMJUWXMQ-JOCHJYFZSA-N 2 1 397.475 3.368 20 5 GGBDMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000263673109 1434018731 /nfs/dbraw/zinc/01/87/31/1434018731.db2.gz KKYLFFDWRJIUDF-UHFFFAOYSA-N 2 1 396.447 3.477 20 5 GGBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000271204734 1434807992 /nfs/dbraw/zinc/80/79/92/1434807992.db2.gz ZVZWNZHVYCFRGS-SFHVURJKSA-N 2 1 394.585 3.473 20 5 GGBDMP CC(C)[N@H+](C)Cc1nn(-c2ccc3ccc4cccnc4c3n2)c2c1CC[NH2+]C2 ZINC001164685114 719613222 /nfs/dbraw/zinc/61/32/22/719613222.db2.gz RCDQQVCKMHBYKJ-UHFFFAOYSA-N 2 1 386.503 3.455 20 5 GGBDMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3ccc4cccnc4c3n2)c2c1CC[NH2+]C2 ZINC001164685114 719613227 /nfs/dbraw/zinc/61/32/27/719613227.db2.gz RCDQQVCKMHBYKJ-UHFFFAOYSA-N 2 1 386.503 3.455 20 5 GGBDMP Cc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc2ccc([N+](=O)[O-])cc12 ZINC001164682772 719613454 /nfs/dbraw/zinc/61/34/54/719613454.db2.gz FWSKNPKBDIKBRD-UHFFFAOYSA-N 2 1 394.479 3.123 20 5 GGBDMP Cc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc2ccc([N+](=O)[O-])cc12 ZINC001164682772 719613459 /nfs/dbraw/zinc/61/34/59/719613459.db2.gz FWSKNPKBDIKBRD-UHFFFAOYSA-N 2 1 394.479 3.123 20 5 GGBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)o2)c(Br)c1 ZINC000611287850 566907967 /nfs/dbraw/zinc/90/79/67/566907967.db2.gz WTOHPEGWKZRJPJ-VXGBXAGGSA-N 2 1 392.253 3.269 20 5 GGBDMP C[NH+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000066067903 1408780343 /nfs/dbraw/zinc/78/03/43/1408780343.db2.gz JDJFGPMJCOIIJR-UHFFFAOYSA-N 2 1 379.464 3.489 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074319814 1409871509 /nfs/dbraw/zinc/87/15/09/1409871509.db2.gz DJJUXEKZVUJHDL-INIZCTEOSA-N 2 1 376.501 3.366 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074319814 1409871513 /nfs/dbraw/zinc/87/15/13/1409871513.db2.gz DJJUXEKZVUJHDL-INIZCTEOSA-N 2 1 376.501 3.366 20 5 GGBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CC1 ZINC000093132957 1410223514 /nfs/dbraw/zinc/22/35/14/1410223514.db2.gz KGRXICZPMNOKNI-KRWDZBQOSA-N 2 1 384.480 3.067 20 5 GGBDMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093563631 1410253858 /nfs/dbraw/zinc/25/38/58/1410253858.db2.gz OUKRBHXIPRXNMG-LJQANCHMSA-N 2 1 383.496 3.446 20 5 GGBDMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093563631 1410253863 /nfs/dbraw/zinc/25/38/63/1410253863.db2.gz OUKRBHXIPRXNMG-LJQANCHMSA-N 2 1 383.496 3.446 20 5 GGBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000101602692 1410475591 /nfs/dbraw/zinc/47/55/91/1410475591.db2.gz XCQCSSLEOOKMEA-OAHLLOKOSA-N 2 1 397.907 3.128 20 5 GGBDMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1)C1CCOCC1 ZINC000102781511 1410752085 /nfs/dbraw/zinc/75/20/85/1410752085.db2.gz DLPTYDODZYPRCJ-UHFFFAOYSA-N 2 1 399.491 3.374 20 5 GGBDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000106126640 1411172458 /nfs/dbraw/zinc/17/24/58/1411172458.db2.gz MFXRFVKUJQAFRM-KRWDZBQOSA-N 2 1 394.515 3.471 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000114475731 1412441351 /nfs/dbraw/zinc/44/13/51/1412441351.db2.gz GOQOXRZHSOLWHV-HXUWFJFHSA-N 2 1 388.512 3.144 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000114475731 1412441355 /nfs/dbraw/zinc/44/13/55/1412441355.db2.gz GOQOXRZHSOLWHV-HXUWFJFHSA-N 2 1 388.512 3.144 20 5 GGBDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000118832851 1413236791 /nfs/dbraw/zinc/23/67/91/1413236791.db2.gz YMJNVKLNFYRLFM-GOSISDBHSA-N 2 1 388.512 3.367 20 5 GGBDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000118832851 1413236795 /nfs/dbraw/zinc/23/67/95/1413236795.db2.gz YMJNVKLNFYRLFM-GOSISDBHSA-N 2 1 388.512 3.367 20 5 GGBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)CC1 ZINC000119605881 1413501629 /nfs/dbraw/zinc/50/16/29/1413501629.db2.gz DVTGYMTXFFHZOO-IBGZPJMESA-N 2 1 384.480 3.067 20 5 GGBDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000120798381 1413906451 /nfs/dbraw/zinc/90/64/51/1413906451.db2.gz POYUBHUUAWKJJM-KRWDZBQOSA-N 2 1 385.512 3.453 20 5 GGBDMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000121198007 1414041413 /nfs/dbraw/zinc/04/14/13/1414041413.db2.gz KWPMFRXNAQEPHP-UHFFFAOYSA-N 2 1 385.464 3.366 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121892758 1414295286 /nfs/dbraw/zinc/29/52/86/1414295286.db2.gz NLMXPNWLWCRWHH-UHFFFAOYSA-N 2 1 388.512 3.430 20 5 GGBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177577553 1428800945 /nfs/dbraw/zinc/80/09/45/1428800945.db2.gz JCROTTIBMGEJSS-UHFFFAOYSA-N 2 1 398.507 3.424 20 5 GGBDMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128691277 1416043222 /nfs/dbraw/zinc/04/32/22/1416043222.db2.gz DHZJIXOXXZTUSM-OAHLLOKOSA-N 2 1 378.448 3.013 20 5 GGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000130349667 1416362666 /nfs/dbraw/zinc/36/26/66/1416362666.db2.gz SGBWUFGECDPQAA-LBPRGKRZSA-N 2 1 379.848 3.102 20 5 GGBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000130349667 1416362667 /nfs/dbraw/zinc/36/26/67/1416362667.db2.gz SGBWUFGECDPQAA-LBPRGKRZSA-N 2 1 379.848 3.102 20 5 GGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000130349910 1416362939 /nfs/dbraw/zinc/36/29/39/1416362939.db2.gz SGBWUFGECDPQAA-GFCCVEGCSA-N 2 1 379.848 3.102 20 5 GGBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000130349910 1416362941 /nfs/dbraw/zinc/36/29/41/1416362941.db2.gz SGBWUFGECDPQAA-GFCCVEGCSA-N 2 1 379.848 3.102 20 5 GGBDMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000178752637 1429160853 /nfs/dbraw/zinc/16/08/53/1429160853.db2.gz QTOINSBRRKCNBS-GOSISDBHSA-N 2 1 381.436 3.462 20 5 GGBDMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000178752637 1429160861 /nfs/dbraw/zinc/16/08/61/1429160861.db2.gz QTOINSBRRKCNBS-GOSISDBHSA-N 2 1 381.436 3.462 20 5 GGBDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000178752628 1429161118 /nfs/dbraw/zinc/16/11/18/1429161118.db2.gz QTOINSBRRKCNBS-SFHVURJKSA-N 2 1 381.436 3.462 20 5 GGBDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000178752628 1429161122 /nfs/dbraw/zinc/16/11/22/1429161122.db2.gz QTOINSBRRKCNBS-SFHVURJKSA-N 2 1 381.436 3.462 20 5 GGBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153932955 1422813041 /nfs/dbraw/zinc/81/30/41/1422813041.db2.gz NERZJQZMQXMJQY-QFIPXVFZSA-N 2 1 383.492 3.472 20 5 GGBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153933069 1422813061 /nfs/dbraw/zinc/81/30/61/1422813061.db2.gz NERZJQZMQXMJQY-JOCHJYFZSA-N 2 1 383.492 3.472 20 5 GGBDMP COc1ccc(OCC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403745 1427141821 /nfs/dbraw/zinc/14/18/21/1427141821.db2.gz FFBJBDYHRPDCCL-IBGZPJMESA-N 2 1 399.491 3.436 20 5 GGBDMP COc1ccc(OCC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403745 1427141826 /nfs/dbraw/zinc/14/18/26/1427141826.db2.gz FFBJBDYHRPDCCL-IBGZPJMESA-N 2 1 399.491 3.436 20 5 GGBDMP COc1ccc(OCC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403745 1427141831 /nfs/dbraw/zinc/14/18/31/1427141831.db2.gz FFBJBDYHRPDCCL-IBGZPJMESA-N 2 1 399.491 3.436 20 5 GGBDMP COc1ccc(OCC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403745 1427141836 /nfs/dbraw/zinc/14/18/36/1427141836.db2.gz FFBJBDYHRPDCCL-IBGZPJMESA-N 2 1 399.491 3.436 20 5 GGBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175289343 1427649292 /nfs/dbraw/zinc/64/92/92/1427649292.db2.gz CNCGJEDGJKZSNP-UHFFFAOYSA-N 2 1 377.485 3.070 20 5 GGBDMP CN(CC[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12)C1CC[NH+](C)CC1 ZINC000180963670 1430139563 /nfs/dbraw/zinc/13/95/63/1430139563.db2.gz WPFLPHYEJFGHEH-UHFFFAOYSA-N 2 1 393.531 3.404 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182267584 1430440030 /nfs/dbraw/zinc/44/00/30/1430440030.db2.gz YOOBRHIHFAUVMQ-JXFKEZNVSA-N 2 1 399.491 3.411 20 5 GGBDMP Cc1c(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185685627 1431205279 /nfs/dbraw/zinc/20/52/79/1431205279.db2.gz QTCYLEXSPTXGSA-IAGOWNOFSA-N 2 1 388.512 3.474 20 5 GGBDMP COc1ccc(OCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695214 1431208119 /nfs/dbraw/zinc/20/81/19/1431208119.db2.gz REJGYLCWEAXYPN-HOTGVXAUSA-N 2 1 377.485 3.225 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185729088 1431217619 /nfs/dbraw/zinc/21/76/19/1431217619.db2.gz KUJNYLGGZYJEPQ-IRXDYDNUSA-N 2 1 388.512 3.474 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753462 1431225048 /nfs/dbraw/zinc/22/50/48/1431225048.db2.gz VJPXNRGKLZGHPS-DLBZAZTESA-N 2 1 388.512 3.474 20 5 GGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191491014 1432671321 /nfs/dbraw/zinc/67/13/21/1432671321.db2.gz PXQNHLPVLUORLR-MRXNPFEDSA-N 2 1 387.484 3.401 20 5 GGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191491014 1432671325 /nfs/dbraw/zinc/67/13/25/1432671325.db2.gz PXQNHLPVLUORLR-MRXNPFEDSA-N 2 1 387.484 3.401 20 5 GGBDMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1)C1CCOCC1 ZINC000237203323 1433392309 /nfs/dbraw/zinc/39/23/09/1433392309.db2.gz MUDSXACHOJMJLW-UHFFFAOYSA-N 2 1 399.491 3.374 20 5 GGBDMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000237203711 1433392452 /nfs/dbraw/zinc/39/24/52/1433392452.db2.gz ZLFOTBORNCAGKU-UHFFFAOYSA-N 2 1 399.491 3.374 20 5 GGBDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237462737 1433404224 /nfs/dbraw/zinc/40/42/24/1433404224.db2.gz XKKNNBNVTQFGCN-IAGOWNOFSA-N 2 1 385.512 3.453 20 5 GGBDMP C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246024811 1433558993 /nfs/dbraw/zinc/55/89/93/1433558993.db2.gz KRCHYAGLCQXYFI-ZWOKBUDYSA-N 2 1 396.491 3.025 20 5 GGBDMP C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246024811 1433558994 /nfs/dbraw/zinc/55/89/94/1433558994.db2.gz KRCHYAGLCQXYFI-ZWOKBUDYSA-N 2 1 396.491 3.025 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000246403271 1433607672 /nfs/dbraw/zinc/60/76/72/1433607672.db2.gz LXBWOEHWMBTYAU-ZAAXVRCTSA-N 2 1 391.512 3.412 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246796883 1433668297 /nfs/dbraw/zinc/66/82/97/1433668297.db2.gz MPSZZWWAEFVIDN-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246796883 1433668309 /nfs/dbraw/zinc/66/83/09/1433668309.db2.gz MPSZZWWAEFVIDN-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246796883 1433668316 /nfs/dbraw/zinc/66/83/16/1433668316.db2.gz MPSZZWWAEFVIDN-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246796883 1433668327 /nfs/dbraw/zinc/66/83/27/1433668327.db2.gz MPSZZWWAEFVIDN-OXJNMPFZSA-N 2 1 386.496 3.181 20 5 GGBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000248464913 1433805095 /nfs/dbraw/zinc/80/50/95/1433805095.db2.gz ZRBWAPISMZVOBV-FGZHOGPDSA-N 2 1 395.503 3.272 20 5 GGBDMP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261739273 1433900599 /nfs/dbraw/zinc/90/05/99/1433900599.db2.gz KKSGQDGBCIPNJA-OAQYLSRUSA-N 2 1 385.464 3.353 20 5 GGBDMP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261739273 1433900607 /nfs/dbraw/zinc/90/06/07/1433900607.db2.gz KKSGQDGBCIPNJA-OAQYLSRUSA-N 2 1 385.464 3.353 20 5 GGBDMP COc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261918115 1433912490 /nfs/dbraw/zinc/91/24/90/1433912490.db2.gz YIUBMAAESQKDGW-NRFANRHFSA-N 2 1 385.464 3.353 20 5 GGBDMP COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261918115 1433912491 /nfs/dbraw/zinc/91/24/91/1433912491.db2.gz YIUBMAAESQKDGW-NRFANRHFSA-N 2 1 385.464 3.353 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000271122907 1434803297 /nfs/dbraw/zinc/80/32/97/1434803297.db2.gz JUPRFBLEDXSBAE-KRWDZBQOSA-N 2 1 378.517 3.062 20 5 GGBDMP CCOc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000271122911 1434803346 /nfs/dbraw/zinc/80/33/46/1434803346.db2.gz JUPRFBLEDXSBAE-QGZVFWFLSA-N 2 1 378.517 3.062 20 5 GGBDMP Cc1cc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272779982 1434930594 /nfs/dbraw/zinc/93/05/94/1434930594.db2.gz AAVYNNNKNKWSBU-UHFFFAOYSA-N 2 1 397.523 3.446 20 5 GGBDMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217943 1436004799 /nfs/dbraw/zinc/00/47/99/1436004799.db2.gz TVUPSJSYWALLDN-JKSUJKDBSA-N 2 1 384.480 3.249 20 5 GGBDMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217943 1436004804 /nfs/dbraw/zinc/00/48/04/1436004804.db2.gz TVUPSJSYWALLDN-JKSUJKDBSA-N 2 1 384.480 3.249 20 5 GGBDMP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000290845143 566192330 /nfs/dbraw/zinc/19/23/30/566192330.db2.gz JFLIHLLDMPLQJS-CQSZACIVSA-N 2 1 376.284 3.228 20 5 GGBDMP CC(C)[N@@H+](C)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000577250055 566417757 /nfs/dbraw/zinc/41/77/57/566417757.db2.gz LSMJPPAJAWTGRH-UHFFFAOYSA-N 2 1 391.253 3.019 20 5 GGBDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435379670 567357341 /nfs/dbraw/zinc/35/73/41/567357341.db2.gz JWTWGFARJIQVIT-LLVKDONJSA-N 2 1 380.242 3.398 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000052209423 1405984670 /nfs/dbraw/zinc/98/46/70/1405984670.db2.gz BLXXJDUJQJTFEK-UHFFFAOYSA-N 2 1 377.485 3.405 20 5 GGBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000066795620 1408917413 /nfs/dbraw/zinc/91/74/13/1408917413.db2.gz KSZRJSSAPMKKLK-UHFFFAOYSA-N 2 1 394.479 3.395 20 5 GGBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000066795620 1408917416 /nfs/dbraw/zinc/91/74/16/1408917416.db2.gz KSZRJSSAPMKKLK-UHFFFAOYSA-N 2 1 394.479 3.395 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000074319621 1409871762 /nfs/dbraw/zinc/87/17/62/1409871762.db2.gz CBHZPQPPXQJVRK-INIZCTEOSA-N 2 1 376.501 3.366 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000074319621 1409871765 /nfs/dbraw/zinc/87/17/65/1409871765.db2.gz CBHZPQPPXQJVRK-INIZCTEOSA-N 2 1 376.501 3.366 20 5 GGBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000105476464 1411070743 /nfs/dbraw/zinc/07/07/43/1411070743.db2.gz DETNGNFNRCOBJW-UHFFFAOYSA-N 2 1 388.537 3.441 20 5 GGBDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@H](C)O1 ZINC000177039999 1428564656 /nfs/dbraw/zinc/56/46/56/1428564656.db2.gz QJQIOVZGLIFGRV-GJZGRUSLSA-N 2 1 388.468 3.057 20 5 GGBDMP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cs2)c1 ZINC000113340790 1412294798 /nfs/dbraw/zinc/29/47/98/1412294798.db2.gz ITBLFMQRXPLXPS-GOSISDBHSA-N 2 1 390.509 3.045 20 5 GGBDMP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cs2)c1 ZINC000113340794 1412295056 /nfs/dbraw/zinc/29/50/56/1412295056.db2.gz ITBLFMQRXPLXPS-SFHVURJKSA-N 2 1 390.509 3.045 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000114475733 1412440685 /nfs/dbraw/zinc/44/06/85/1412440685.db2.gz GOQOXRZHSOLWHV-FQEVSTJZSA-N 2 1 388.512 3.144 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000114475733 1412440691 /nfs/dbraw/zinc/44/06/91/1412440691.db2.gz GOQOXRZHSOLWHV-FQEVSTJZSA-N 2 1 388.512 3.144 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000114475877 1412441815 /nfs/dbraw/zinc/44/18/15/1412441815.db2.gz LHSUJVKTAPJCCX-UHFFFAOYSA-N 2 1 376.501 3.286 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000114475877 1412441821 /nfs/dbraw/zinc/44/18/21/1412441821.db2.gz LHSUJVKTAPJCCX-UHFFFAOYSA-N 2 1 376.501 3.286 20 5 GGBDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000120206959 1413730429 /nfs/dbraw/zinc/73/04/29/1413730429.db2.gz FDPCKPIXJJQSLE-GOSISDBHSA-N 2 1 388.512 3.367 20 5 GGBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120263713 1413758983 /nfs/dbraw/zinc/75/89/83/1413758983.db2.gz KPIYWDLHJZAGEO-QGZVFWFLSA-N 2 1 391.516 3.091 20 5 GGBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000177478959 1428759757 /nfs/dbraw/zinc/75/97/57/1428759757.db2.gz QWOYZVTVUDTXTC-HDICACEKSA-N 2 1 375.513 3.349 20 5 GGBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121823884 1414269989 /nfs/dbraw/zinc/26/99/89/1414269989.db2.gz VXTXTGMTFIKYOZ-UHFFFAOYSA-N 2 1 388.512 3.430 20 5 GGBDMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000123295210 1414689857 /nfs/dbraw/zinc/68/98/57/1414689857.db2.gz DYTYRILUCKVSGJ-UHFFFAOYSA-N 2 1 382.892 3.241 20 5 GGBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000123581570 1414782810 /nfs/dbraw/zinc/78/28/10/1414782810.db2.gz METJUNKXOJLFIS-MRXNPFEDSA-N 2 1 376.501 3.284 20 5 GGBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123709040 1414813078 /nfs/dbraw/zinc/81/30/78/1414813078.db2.gz VXDBCCHGASECCK-HUUCEWRRSA-N 2 1 396.451 3.394 20 5 GGBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123709040 1414813079 /nfs/dbraw/zinc/81/30/79/1414813079.db2.gz VXDBCCHGASECCK-HUUCEWRRSA-N 2 1 396.451 3.394 20 5 GGBDMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302485 1416187692 /nfs/dbraw/zinc/18/76/92/1416187692.db2.gz PRKSYYMSNIVSDP-AUUYWEPGSA-N 2 1 390.459 3.011 20 5 GGBDMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302485 1416187696 /nfs/dbraw/zinc/18/76/96/1416187696.db2.gz PRKSYYMSNIVSDP-AUUYWEPGSA-N 2 1 390.459 3.011 20 5 GGBDMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302485 1416187699 /nfs/dbraw/zinc/18/76/99/1416187699.db2.gz PRKSYYMSNIVSDP-AUUYWEPGSA-N 2 1 390.459 3.011 20 5 GGBDMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302485 1416187704 /nfs/dbraw/zinc/18/77/04/1416187704.db2.gz PRKSYYMSNIVSDP-AUUYWEPGSA-N 2 1 390.459 3.011 20 5 GGBDMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302726 1416187878 /nfs/dbraw/zinc/18/78/78/1416187878.db2.gz PRKSYYMSNIVSDP-KUHUBIRLSA-N 2 1 390.459 3.011 20 5 GGBDMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302726 1416187881 /nfs/dbraw/zinc/18/78/81/1416187881.db2.gz PRKSYYMSNIVSDP-KUHUBIRLSA-N 2 1 390.459 3.011 20 5 GGBDMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302726 1416187885 /nfs/dbraw/zinc/18/78/85/1416187885.db2.gz PRKSYYMSNIVSDP-KUHUBIRLSA-N 2 1 390.459 3.011 20 5 GGBDMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302726 1416187889 /nfs/dbraw/zinc/18/78/89/1416187889.db2.gz PRKSYYMSNIVSDP-KUHUBIRLSA-N 2 1 390.459 3.011 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134934014 1417147811 /nfs/dbraw/zinc/14/78/11/1417147811.db2.gz OTWWRNBFUXHJMY-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134934014 1417147812 /nfs/dbraw/zinc/14/78/12/1417147812.db2.gz OTWWRNBFUXHJMY-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134934014 1417147816 /nfs/dbraw/zinc/14/78/16/1417147816.db2.gz OTWWRNBFUXHJMY-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134934014 1417147821 /nfs/dbraw/zinc/14/78/21/1417147821.db2.gz OTWWRNBFUXHJMY-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000151162651 1417885186 /nfs/dbraw/zinc/88/51/86/1417885186.db2.gz BPDGQPCONFSHDJ-MRXNPFEDSA-N 2 1 388.512 3.170 20 5 GGBDMP CCCC[N@H+](C)CC1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000151802635 1418090648 /nfs/dbraw/zinc/09/06/48/1418090648.db2.gz HYODMOOCROHVLH-UHFFFAOYSA-N 2 1 386.500 3.255 20 5 GGBDMP CCCC[N@@H+](C)CC1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000151802635 1418090650 /nfs/dbraw/zinc/09/06/50/1418090650.db2.gz HYODMOOCROHVLH-UHFFFAOYSA-N 2 1 386.500 3.255 20 5 GGBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179393008 1429356660 /nfs/dbraw/zinc/35/66/60/1429356660.db2.gz GRMYJVOMVICHQZ-OAQYLSRUSA-N 2 1 384.480 3.262 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000153875906 1422803475 /nfs/dbraw/zinc/80/34/75/1422803475.db2.gz HGRURWMDAVWDCQ-HOTGVXAUSA-N 2 1 377.485 3.145 20 5 GGBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)CC1 ZINC000155664513 1423475081 /nfs/dbraw/zinc/47/50/81/1423475081.db2.gz CSWKUPMKLRONSR-HXUWFJFHSA-N 2 1 391.515 3.158 20 5 GGBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974050 1426918663 /nfs/dbraw/zinc/91/86/63/1426918663.db2.gz WMFMYDCOGVSJNN-LJQANCHMSA-N 2 1 396.491 3.377 20 5 GGBDMP C[NH+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173974050 1426918670 /nfs/dbraw/zinc/91/86/70/1426918670.db2.gz WMFMYDCOGVSJNN-LJQANCHMSA-N 2 1 396.491 3.377 20 5 GGBDMP C[NH+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173974050 1426918678 /nfs/dbraw/zinc/91/86/78/1426918678.db2.gz WMFMYDCOGVSJNN-LJQANCHMSA-N 2 1 396.491 3.377 20 5 GGBDMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000181413307 1430292184 /nfs/dbraw/zinc/29/21/84/1430292184.db2.gz LXBWOEHWMBTYAU-BPAFIMBUSA-N 2 1 391.512 3.412 20 5 GGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000193277603 1432973012 /nfs/dbraw/zinc/97/30/12/1432973012.db2.gz FWALDWKVHGVLAT-RBBKRZOGSA-N 2 1 381.476 3.329 20 5 GGBDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237706237 1433418271 /nfs/dbraw/zinc/41/82/71/1433418271.db2.gz XKKNNBNVTQFGCN-IRXDYDNUSA-N 2 1 385.512 3.453 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000246403258 1433607408 /nfs/dbraw/zinc/60/74/08/1433607408.db2.gz LXBWOEHWMBTYAU-QKYXUNIQSA-N 2 1 391.512 3.412 20 5 GGBDMP COc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261918120 1433912383 /nfs/dbraw/zinc/91/23/83/1433912383.db2.gz YIUBMAAESQKDGW-OAQYLSRUSA-N 2 1 385.464 3.353 20 5 GGBDMP COc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261918120 1433912394 /nfs/dbraw/zinc/91/23/94/1433912394.db2.gz YIUBMAAESQKDGW-OAQYLSRUSA-N 2 1 385.464 3.353 20 5 GGBDMP COc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000262098580 1433926921 /nfs/dbraw/zinc/92/69/21/1433926921.db2.gz VJOSTVJMJUWXMQ-QFIPXVFZSA-N 2 1 397.475 3.368 20 5 GGBDMP COc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000262098580 1433926922 /nfs/dbraw/zinc/92/69/22/1433926922.db2.gz VJOSTVJMJUWXMQ-QFIPXVFZSA-N 2 1 397.475 3.368 20 5 GGBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)o2)c(Br)c1 ZINC000611287849 566907879 /nfs/dbraw/zinc/90/78/79/566907879.db2.gz WTOHPEGWKZRJPJ-RYUDHWBXSA-N 2 1 392.253 3.269 20 5 GGBDMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093683373 1410259424 /nfs/dbraw/zinc/25/94/24/1410259424.db2.gz CYGDJNNFZCGLMO-KRWDZBQOSA-N 2 1 383.496 3.303 20 5 GGBDMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093683373 1410259428 /nfs/dbraw/zinc/25/94/28/1410259428.db2.gz CYGDJNNFZCGLMO-KRWDZBQOSA-N 2 1 383.496 3.303 20 5 GGBDMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000176992269 1428544232 /nfs/dbraw/zinc/54/42/32/1428544232.db2.gz SMZOFQAXFVCKAV-UHFFFAOYSA-N 2 1 383.496 3.492 20 5 GGBDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177495073 1428768626 /nfs/dbraw/zinc/76/86/26/1428768626.db2.gz RUVNKFUHUMDIIC-IYBDPMFKSA-N 2 1 379.476 3.445 20 5 GGBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177495073 1428768630 /nfs/dbraw/zinc/76/86/30/1428768630.db2.gz RUVNKFUHUMDIIC-IYBDPMFKSA-N 2 1 379.476 3.445 20 5 GGBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000122224235 1414394044 /nfs/dbraw/zinc/39/40/44/1414394044.db2.gz GOIVZYAETRNJRJ-UHFFFAOYSA-N 2 1 390.484 3.306 20 5 GGBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123708797 1414813033 /nfs/dbraw/zinc/81/30/33/1414813033.db2.gz VXDBCCHGASECCK-LSDHHAIUSA-N 2 1 396.451 3.394 20 5 GGBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123708797 1414813036 /nfs/dbraw/zinc/81/30/36/1414813036.db2.gz VXDBCCHGASECCK-LSDHHAIUSA-N 2 1 396.451 3.394 20 5 GGBDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000178034028 1428947328 /nfs/dbraw/zinc/94/73/28/1428947328.db2.gz HZYWPQPDGGFSLE-QKLQHJQFSA-N 2 1 375.513 3.395 20 5 GGBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877206 1417138316 /nfs/dbraw/zinc/13/83/16/1417138316.db2.gz AYLSQYCDAFCMCR-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877206 1417138319 /nfs/dbraw/zinc/13/83/19/1417138319.db2.gz AYLSQYCDAFCMCR-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877206 1417138324 /nfs/dbraw/zinc/13/83/24/1417138324.db2.gz AYLSQYCDAFCMCR-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877206 1417138327 /nfs/dbraw/zinc/13/83/27/1417138327.db2.gz AYLSQYCDAFCMCR-UZLBHIALSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134933990 1417147887 /nfs/dbraw/zinc/14/78/87/1417147887.db2.gz OTWWRNBFUXHJMY-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134933990 1417147892 /nfs/dbraw/zinc/14/78/92/1417147892.db2.gz OTWWRNBFUXHJMY-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134933990 1417147895 /nfs/dbraw/zinc/14/78/95/1417147895.db2.gz OTWWRNBFUXHJMY-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134933990 1417147897 /nfs/dbraw/zinc/14/78/97/1417147897.db2.gz OTWWRNBFUXHJMY-OXQOHEQNSA-N 2 1 386.496 3.181 20 5 GGBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000151162710 1417885272 /nfs/dbraw/zinc/88/52/72/1417885272.db2.gz BPDGQPCONFSHDJ-INIZCTEOSA-N 2 1 388.512 3.170 20 5 GGBDMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000153876009 1422803362 /nfs/dbraw/zinc/80/33/62/1422803362.db2.gz HGRURWMDAVWDCQ-HZPDHXFCSA-N 2 1 377.485 3.145 20 5 GGBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000171044820 1425452953 /nfs/dbraw/zinc/45/29/53/1425452953.db2.gz PGPMDMKRSMMMQM-UHFFFAOYSA-N 2 1 384.436 3.044 20 5 GGBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000171044820 1425452957 /nfs/dbraw/zinc/45/29/57/1425452957.db2.gz PGPMDMKRSMMMQM-UHFFFAOYSA-N 2 1 384.436 3.044 20 5 GGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000180399271 1429856916 /nfs/dbraw/zinc/85/69/16/1429856916.db2.gz KRCHYAGLCQXYFI-FUHIMQAGSA-N 2 1 396.491 3.025 20 5 GGBDMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000180399271 1429856918 /nfs/dbraw/zinc/85/69/18/1429856918.db2.gz KRCHYAGLCQXYFI-FUHIMQAGSA-N 2 1 396.491 3.025 20 5 GGBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000181413283 1430292138 /nfs/dbraw/zinc/29/21/38/1430292138.db2.gz LXBWOEHWMBTYAU-CVAIRZPRSA-N 2 1 391.512 3.412 20 5 GGBDMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000181413264 1430292171 /nfs/dbraw/zinc/29/21/71/1430292171.db2.gz LXBWOEHWMBTYAU-ZTNFWEORSA-N 2 1 391.512 3.412 20 5 GGBDMP Cc1c(NC(=O)CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185685667 1431205628 /nfs/dbraw/zinc/20/56/28/1431205628.db2.gz QTCYLEXSPTXGSA-SJORKVTESA-N 2 1 388.512 3.474 20 5 GGBDMP COc1ccc(OCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695233 1431208376 /nfs/dbraw/zinc/20/83/76/1431208376.db2.gz REJGYLCWEAXYPN-CVEARBPZSA-N 2 1 377.485 3.225 20 5 GGBDMP Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729197 1431217406 /nfs/dbraw/zinc/21/74/06/1431217406.db2.gz YPINAUVXJACSLP-IXDOHACOSA-N 2 1 388.512 3.473 20 5 GGBDMP Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729197 1431217411 /nfs/dbraw/zinc/21/74/11/1431217411.db2.gz YPINAUVXJACSLP-IXDOHACOSA-N 2 1 388.512 3.473 20 5 GGBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185729111 1431217722 /nfs/dbraw/zinc/21/77/22/1431217722.db2.gz KUJNYLGGZYJEPQ-SJORKVTESA-N 2 1 388.512 3.474 20 5 GGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191490996 1432671078 /nfs/dbraw/zinc/67/10/78/1432671078.db2.gz PXQNHLPVLUORLR-INIZCTEOSA-N 2 1 387.484 3.401 20 5 GGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191490996 1432671082 /nfs/dbraw/zinc/67/10/82/1432671082.db2.gz PXQNHLPVLUORLR-INIZCTEOSA-N 2 1 387.484 3.401 20 5 GGBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192925531 1432908558 /nfs/dbraw/zinc/90/85/58/1432908558.db2.gz FVNBTALMTAUAED-PKOBYXMFSA-N 2 1 396.491 3.424 20 5 GGBDMP O=[N+]([O-])c1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000237972805 1433437891 /nfs/dbraw/zinc/43/78/91/1433437891.db2.gz DJPLRKYUMSFEQV-UHFFFAOYSA-N 2 1 388.537 3.344 20 5 GGBDMP Cn1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245692493 1433500732 /nfs/dbraw/zinc/50/07/32/1433500732.db2.gz AUXAHWMFURVTPJ-UWJYYQICSA-N 2 1 395.507 3.444 20 5 GGBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000248824644 1433824022 /nfs/dbraw/zinc/82/40/22/1433824022.db2.gz FWALDWKVHGVLAT-IRLDBZIGSA-N 2 1 381.476 3.329 20 5 GGBDMP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261739271 1433900783 /nfs/dbraw/zinc/90/07/83/1433900783.db2.gz KKSGQDGBCIPNJA-NRFANRHFSA-N 2 1 385.464 3.353 20 5 GGBDMP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261739271 1433900788 /nfs/dbraw/zinc/90/07/88/1433900788.db2.gz KKSGQDGBCIPNJA-NRFANRHFSA-N 2 1 385.464 3.353 20 5 GGBDMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272252217 1434881783 /nfs/dbraw/zinc/88/17/83/1434881783.db2.gz IMVFDGSDSSFJER-UHFFFAOYSA-N 2 1 387.427 3.021 20 5 GGBDMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217940 1436004666 /nfs/dbraw/zinc/00/46/66/1436004666.db2.gz TVUPSJSYWALLDN-HZPDHXFCSA-N 2 1 384.480 3.249 20 5 GGBDMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217940 1436004669 /nfs/dbraw/zinc/00/46/69/1436004669.db2.gz TVUPSJSYWALLDN-HZPDHXFCSA-N 2 1 384.480 3.249 20 5 GGBDMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217937 1436004678 /nfs/dbraw/zinc/00/46/78/1436004678.db2.gz TVUPSJSYWALLDN-HOTGVXAUSA-N 2 1 384.480 3.249 20 5 GGBDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284217937 1436004681 /nfs/dbraw/zinc/00/46/81/1436004681.db2.gz TVUPSJSYWALLDN-HOTGVXAUSA-N 2 1 384.480 3.249 20 5 GGBDMP