smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415106077 312095032 /nfs/dbraw/zinc/09/50/32/312095032.db2.gz JDEWAXFEUIPXMX-ZWKOTPCHSA-N 1 3 333.432 2.622 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593323729 479295015 /nfs/dbraw/zinc/29/50/15/479295015.db2.gz WBXZFULGRBGZAC-NXHRZFHOSA-N 1 3 333.432 2.764 10 5 EFBEHO Cc1c(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731508 479437739 /nfs/dbraw/zinc/43/77/39/479437739.db2.gz YMSXSIZFQKRSGN-CGTJXYLNSA-N 1 3 333.432 2.764 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510716 1312791945 /nfs/dbraw/zinc/79/19/45/1312791945.db2.gz JGHTZLDGMYJTKN-ZMYBRWDISA-N 1 3 344.459 2.556 10 5 EFBEHO CN1C[C@]23C[N@H+](CCc4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001620683390 1091142957 /nfs/dbraw/zinc/14/29/57/1091142957.db2.gz HDAUZWZOAHVLDF-KDURUIRLSA-N 1 3 329.444 2.945 10 5 EFBEHO CN1C[C@]23C[N@@H+](CCc4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001620683390 1091142961 /nfs/dbraw/zinc/14/29/61/1091142961.db2.gz HDAUZWZOAHVLDF-KDURUIRLSA-N 1 3 329.444 2.945 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420367817 290251123 /nfs/dbraw/zinc/25/11/23/290251123.db2.gz ACKXHPGJFGMCOW-XWIAVFTESA-N 1 3 333.432 2.874 10 5 EFBEHO Cc1nc(NCC2(N3CCCCC3)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000301667041 311151124 /nfs/dbraw/zinc/15/11/24/311151124.db2.gz OVQXLKNDAHMDKT-UHFFFAOYSA-N 1 3 347.463 2.660 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415106074 312095138 /nfs/dbraw/zinc/09/51/38/312095138.db2.gz JDEWAXFEUIPXMX-ROUUACIJSA-N 1 3 333.432 2.622 10 5 EFBEHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CCCCCC1 ZINC000423206418 476963350 /nfs/dbraw/zinc/96/33/50/476963350.db2.gz WULIGCHARMMEHN-CQSZACIVSA-N 1 3 348.447 2.953 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600762506 478509471 /nfs/dbraw/zinc/50/94/71/478509471.db2.gz CVUJDQFJCZEJAE-RDTXWAMCSA-N 1 3 333.432 2.746 10 5 EFBEHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600771536 478512293 /nfs/dbraw/zinc/51/22/93/478512293.db2.gz HNTAJYDGTSWQEX-AJNOYIKESA-N 1 3 345.443 2.699 10 5 EFBEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595058813 478644594 /nfs/dbraw/zinc/64/45/94/478644594.db2.gz CXJGNDWJSIGNHJ-HNAYVOBHSA-N 1 3 348.491 2.834 10 5 EFBEHO COc1cc(NCC[N@H+](C)CCCN(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596425702 479290785 /nfs/dbraw/zinc/29/07/85/479290785.db2.gz VOIKEIBTOUOPBN-UHFFFAOYSA-N 1 3 344.843 2.552 10 5 EFBEHO COc1cc(NCC[N@@H+](C)CCCN(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596425702 479290788 /nfs/dbraw/zinc/29/07/88/479290788.db2.gz VOIKEIBTOUOPBN-UHFFFAOYSA-N 1 3 344.843 2.552 10 5 EFBEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000593319983 479293975 /nfs/dbraw/zinc/29/39/75/479293975.db2.gz HDEPKTCXIJAYLT-FRAGRWOZSA-N 1 3 345.443 2.969 10 5 EFBEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000593320372 479294051 /nfs/dbraw/zinc/29/40/51/479294051.db2.gz HDEPKTCXIJAYLT-GBQCJDKSSA-N 1 3 345.443 2.969 10 5 EFBEHO CC(C)C[N@H+](C)CCCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717013 479432884 /nfs/dbraw/zinc/43/28/84/479432884.db2.gz XARUPGCEULQOOT-JKSUJKDBSA-N 1 3 337.468 2.843 10 5 EFBEHO CC(C)C[N@@H+](C)CCCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717013 479432886 /nfs/dbraw/zinc/43/28/86/479432886.db2.gz XARUPGCEULQOOT-JKSUJKDBSA-N 1 3 337.468 2.843 10 5 EFBEHO CC(C)CN(C)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717013 479432890 /nfs/dbraw/zinc/43/28/90/479432890.db2.gz XARUPGCEULQOOT-JKSUJKDBSA-N 1 3 337.468 2.843 10 5 EFBEHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000349979172 535551143 /nfs/dbraw/zinc/55/11/43/535551143.db2.gz WCXHCDCUKSIBAG-SFHVURJKSA-N 1 3 335.448 2.836 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415106065 312095053 /nfs/dbraw/zinc/09/50/53/312095053.db2.gz JDEWAXFEUIPXMX-MSOLQXFVSA-N 1 3 333.432 2.622 10 5 EFBEHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600762489 478510259 /nfs/dbraw/zinc/51/02/59/478510259.db2.gz CVUJDQFJCZEJAE-KBXCAEBGSA-N 1 3 333.432 2.746 10 5 EFBEHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600771547 478513750 /nfs/dbraw/zinc/51/37/50/478513750.db2.gz HNTAJYDGTSWQEX-YZTRRJNXSA-N 1 3 345.443 2.699 10 5 EFBEHO C[NH2+]CCOCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600778420 478516120 /nfs/dbraw/zinc/51/61/20/478516120.db2.gz YUQIIHSKXGXKEO-UHFFFAOYSA-N 1 3 349.456 2.991 10 5 EFBEHO [NH3+]CCCOCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600778223 478516462 /nfs/dbraw/zinc/51/64/62/478516462.db2.gz WVYJONFFEDIYJS-UHFFFAOYSA-N 1 3 335.429 2.778 10 5 EFBEHO Cc1c(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731511 479438382 /nfs/dbraw/zinc/43/83/82/479438382.db2.gz YMSXSIZFQKRSGN-NXHRZFHOSA-N 1 3 333.432 2.764 10 5 EFBEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349075234 285282759 /nfs/dbraw/zinc/28/27/59/285282759.db2.gz OCAXKBNPPCSNTD-IBGZPJMESA-N 1 3 348.491 2.751 10 5 EFBEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349075234 285282762 /nfs/dbraw/zinc/28/27/62/285282762.db2.gz OCAXKBNPPCSNTD-IBGZPJMESA-N 1 3 348.491 2.751 10 5 EFBEHO O=[N+]([O-])c1cccc(-c2nc(CNCC[C@H]3CC[NH2+]C3)cs2)c1 ZINC000414827221 312054870 /nfs/dbraw/zinc/05/48/70/312054870.db2.gz GWBQYAZMLCMJNH-GFCCVEGCSA-N 1 3 332.429 2.808 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415123041 312098057 /nfs/dbraw/zinc/09/80/57/312098057.db2.gz KPKQNYUBHVQQHO-SJLPKXTDSA-N 1 3 333.432 2.622 10 5 EFBEHO [NH3+]C1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCCC1 ZINC000423208099 476963375 /nfs/dbraw/zinc/96/33/75/476963375.db2.gz YVKKPNZHXRLJTI-HUUCEWRRSA-N 1 3 335.452 2.916 10 5 EFBEHO Cc1c([C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000595058442 478644855 /nfs/dbraw/zinc/64/48/55/478644855.db2.gz BOEMKDOCQKSAFA-HOCLYGCPSA-N 1 3 336.480 2.826 10 5 EFBEHO Cc1ccc([C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000595061773 478646010 /nfs/dbraw/zinc/64/60/10/478646010.db2.gz MSFOANQRZGFLKI-JKSUJKDBSA-N 1 3 336.480 2.826 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593316425 479291669 /nfs/dbraw/zinc/29/16/69/479291669.db2.gz RLJHBLWFENRIFJ-XYJFISCASA-N 1 3 333.432 2.622 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593323726 479295300 /nfs/dbraw/zinc/29/53/00/479295300.db2.gz WBXZFULGRBGZAC-CGTJXYLNSA-N 1 3 333.432 2.764 10 5 EFBEHO CC(C)C[N@H+](C)CCCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717012 479432747 /nfs/dbraw/zinc/43/27/47/479432747.db2.gz XARUPGCEULQOOT-HZPDHXFCSA-N 1 3 337.468 2.843 10 5 EFBEHO CC(C)C[N@@H+](C)CCCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717012 479432752 /nfs/dbraw/zinc/43/27/52/479432752.db2.gz XARUPGCEULQOOT-HZPDHXFCSA-N 1 3 337.468 2.843 10 5 EFBEHO CC(C)CN(C)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717012 479432757 /nfs/dbraw/zinc/43/27/57/479432757.db2.gz XARUPGCEULQOOT-HZPDHXFCSA-N 1 3 337.468 2.843 10 5 EFBEHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NC2CC([NH+]3CCCCC3)C2)n1 ZINC000619466097 479802148 /nfs/dbraw/zinc/80/21/48/479802148.db2.gz MBMZHZFWBZQCQB-BACDZXNISA-N 1 3 347.463 2.882 10 5 EFBEHO O=[N+]([O-])c1ccc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923299846 1277510773 /nfs/dbraw/zinc/51/07/73/1277510773.db2.gz XYWOFSPQUARUIH-ALOPSCKCSA-N 1 3 344.459 2.638 10 5 EFBEHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N)CCCCCC1 ZINC000414860674 244376001 /nfs/dbraw/zinc/37/60/01/244376001.db2.gz QCJORFMCVHMMQK-CQSZACIVSA-N 1 3 348.447 2.953 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415123039 312097919 /nfs/dbraw/zinc/09/79/19/312097919.db2.gz KPKQNYUBHVQQHO-AEFFLSMTSA-N 1 3 333.432 2.622 10 5 EFBEHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600756264 478506134 /nfs/dbraw/zinc/50/61/34/478506134.db2.gz HZWNXUYAUUNNCF-ZBFHGGJFSA-N 1 3 333.432 2.746 10 5 EFBEHO COc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000594734900 478520152 /nfs/dbraw/zinc/52/01/52/478520152.db2.gz GJTCMPMJHHYJNF-MRXNPFEDSA-N 1 3 333.432 2.815 10 5 EFBEHO O=[N+]([O-])c1cc(CNCC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000594952333 478602354 /nfs/dbraw/zinc/60/23/54/478602354.db2.gz BXHFMDCIBJFCND-UHFFFAOYSA-N 1 3 339.461 2.637 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593316421 479291238 /nfs/dbraw/zinc/29/12/38/479291238.db2.gz RLJHBLWFENRIFJ-LZLYRXPVSA-N 1 3 333.432 2.622 10 5 EFBEHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322930 479294788 /nfs/dbraw/zinc/29/47/88/479294788.db2.gz QDTZZTFQYSZXDF-NUJGCVRESA-N 1 3 333.432 2.764 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593739160 479440266 /nfs/dbraw/zinc/44/02/66/479440266.db2.gz YLNUPRRIMMIVJX-GRZALLJUSA-N 1 3 333.432 2.874 10 5 EFBEHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC2CC([NH+]3CCCCC3)C2)n1 ZINC000619466100 479802308 /nfs/dbraw/zinc/80/23/08/479802308.db2.gz MBMZHZFWBZQCQB-SJJHQCBESA-N 1 3 347.463 2.882 10 5 EFBEHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510717 1312792375 /nfs/dbraw/zinc/79/23/75/1312792375.db2.gz JGHTZLDGMYJTKN-ZOCIIQOWSA-N 1 3 344.459 2.556 10 5 EFBEHO O=[N+]([O-])c1cccc(OCCN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047968192 472788463 /nfs/dbraw/zinc/78/84/63/472788463.db2.gz MSKSYBOGBPKSCY-UHFFFAOYSA-N 1 3 333.432 2.781 10 5 EFBEHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600756261 478505605 /nfs/dbraw/zinc/50/56/05/478505605.db2.gz HZWNXUYAUUNNCF-HOCLYGCPSA-N 1 3 333.432 2.746 10 5 EFBEHO [NH3+]CCCOCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000600772532 478513875 /nfs/dbraw/zinc/51/38/75/478513875.db2.gz DLVOZSICTJKGOC-UHFFFAOYSA-N 1 3 335.429 2.778 10 5 EFBEHO COc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000594734899 478520633 /nfs/dbraw/zinc/52/06/33/478520633.db2.gz GJTCMPMJHHYJNF-INIZCTEOSA-N 1 3 333.432 2.815 10 5 EFBEHO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900424 479059130 /nfs/dbraw/zinc/05/91/30/479059130.db2.gz FWDBALIBPZWBHC-MRXNPFEDSA-N 1 3 333.432 2.685 10 5 EFBEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596364114 479266792 /nfs/dbraw/zinc/26/67/92/479266792.db2.gz XXRFPRNKTZXGQI-AWEZNQCLSA-N 1 3 345.447 2.827 10 5 EFBEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596364114 479266800 /nfs/dbraw/zinc/26/68/00/479266800.db2.gz XXRFPRNKTZXGQI-AWEZNQCLSA-N 1 3 345.447 2.827 10 5 EFBEHO [NH3+]CC1(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000593314900 479289710 /nfs/dbraw/zinc/28/97/10/479289710.db2.gz HKQRSYGAATUVBY-UHFFFAOYSA-N 1 3 332.429 2.937 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593739163 479440131 /nfs/dbraw/zinc/44/01/31/479440131.db2.gz YLNUPRRIMMIVJX-VUNQQRPYSA-N 1 3 333.432 2.874 10 5 EFBEHO CN(C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865938151 1303461771 /nfs/dbraw/zinc/46/17/71/1303461771.db2.gz CPRUWCLUAKHTBA-UHFFFAOYSA-N 1 3 330.379 2.828 10 5 EFBEHO CN(C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865938151 1303461773 /nfs/dbraw/zinc/46/17/73/1303461773.db2.gz CPRUWCLUAKHTBA-UHFFFAOYSA-N 1 3 330.379 2.828 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415123040 312098188 /nfs/dbraw/zinc/09/81/88/312098188.db2.gz KPKQNYUBHVQQHO-FUHWJXTLSA-N 1 3 333.432 2.622 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415123042 312098224 /nfs/dbraw/zinc/09/82/24/312098224.db2.gz KPKQNYUBHVQQHO-WMZOPIPTSA-N 1 3 333.432 2.622 10 5 EFBEHO NC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCOCC1 ZINC000600772479 478513485 /nfs/dbraw/zinc/51/34/85/478513485.db2.gz CVYCNIBZOCTFOT-UHFFFAOYSA-N 1 3 347.440 2.921 10 5 EFBEHO Cc1ccc([C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000595061771 478646600 /nfs/dbraw/zinc/64/66/00/478646600.db2.gz MSFOANQRZGFLKI-HOTGVXAUSA-N 1 3 336.480 2.826 10 5 EFBEHO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)nc2c1 ZINC000595901608 479059546 /nfs/dbraw/zinc/05/95/46/479059546.db2.gz YWRIXEHSMYYPRI-CQSZACIVSA-N 1 3 344.415 2.948 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000183454644 235087170 /nfs/dbraw/zinc/08/71/70/235087170.db2.gz IGVWSKSQESIHIK-HOTGVXAUSA-N 1 3 335.448 2.882 10 5 EFBEHO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375484 473367450 /nfs/dbraw/zinc/36/74/50/473367450.db2.gz NIBGCTWHRNLVDI-HNNXBMFYSA-N 1 3 334.464 2.614 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420397285 477747448 /nfs/dbraw/zinc/74/74/48/477747448.db2.gz XBQYKIINGTUVRZ-MZMPZRCHSA-N 1 3 333.432 2.874 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420397288 477748104 /nfs/dbraw/zinc/74/81/04/477748104.db2.gz XBQYKIINGTUVRZ-SKDZVZGDSA-N 1 3 333.432 2.874 10 5 EFBEHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600771545 478512773 /nfs/dbraw/zinc/51/27/73/478512773.db2.gz HNTAJYDGTSWQEX-LKIHTYOGSA-N 1 3 345.443 2.699 10 5 EFBEHO C[NH2+]CCOCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000600771875 478514187 /nfs/dbraw/zinc/51/41/87/478514187.db2.gz BWQSGVNLNVTADW-UHFFFAOYSA-N 1 3 349.456 2.991 10 5 EFBEHO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900423 479060289 /nfs/dbraw/zinc/06/02/89/479060289.db2.gz FWDBALIBPZWBHC-INIZCTEOSA-N 1 3 333.432 2.685 10 5 EFBEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000596362890 479265142 /nfs/dbraw/zinc/26/51/42/479265142.db2.gz DTXLQRMLGVVBJQ-AWEZNQCLSA-N 1 3 345.447 2.827 10 5 EFBEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000596362890 479265149 /nfs/dbraw/zinc/26/51/49/479265149.db2.gz DTXLQRMLGVVBJQ-AWEZNQCLSA-N 1 3 345.447 2.827 10 5 EFBEHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NC2CC([NH+]3CCCCC3)C2)n1 ZINC000619466099 479802615 /nfs/dbraw/zinc/80/26/15/479802615.db2.gz MBMZHZFWBZQCQB-GQGLESIBSA-N 1 3 347.463 2.882 10 5 EFBEHO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903511195 1312792681 /nfs/dbraw/zinc/79/26/81/1312792681.db2.gz WYLHIBFCGYRORD-OIISXLGYSA-N 1 3 344.459 2.556 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000183454602 235087162 /nfs/dbraw/zinc/08/71/62/235087162.db2.gz IGVWSKSQESIHIK-IYBDPMFKSA-N 1 3 335.448 2.882 10 5 EFBEHO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCCC(Cn2cncn2)C1 ZINC000128468741 205148720 /nfs/dbraw/zinc/14/87/20/205148720.db2.gz HOKCJENTJKRIPC-SZTZYQKNSA-N 1 3 327.388 2.612 10 5 EFBEHO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCCC(Cn2cncn2)C1 ZINC000128468741 205148721 /nfs/dbraw/zinc/14/87/21/205148721.db2.gz HOKCJENTJKRIPC-SZTZYQKNSA-N 1 3 327.388 2.612 10 5 EFBEHO COc1ccc(CNCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000595000086 478623853 /nfs/dbraw/zinc/62/38/53/478623853.db2.gz BXQBADLHVWTBHV-UHFFFAOYSA-N 1 3 333.432 2.815 10 5 EFBEHO Cc1c([C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000595058440 478645255 /nfs/dbraw/zinc/64/52/55/478645255.db2.gz BOEMKDOCQKSAFA-GOEBONIOSA-N 1 3 336.480 2.826 10 5 EFBEHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000595061473 478646263 /nfs/dbraw/zinc/64/62/63/478646263.db2.gz LCZJKHZPRJEXBY-JKSUJKDBSA-N 1 3 336.480 2.826 10 5 EFBEHO CN(C)CCC[N@H+](C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596423799 479289384 /nfs/dbraw/zinc/28/93/84/479289384.db2.gz CCFWXAPLXLXONK-UHFFFAOYSA-N 1 3 330.379 2.828 10 5 EFBEHO CN(C)CCC[N@@H+](C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596423799 479289390 /nfs/dbraw/zinc/28/93/90/479289390.db2.gz CCFWXAPLXLXONK-UHFFFAOYSA-N 1 3 330.379 2.828 10 5 EFBEHO O=[N+]([O-])c1ccc2[nH]cc(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000588959495 479463217 /nfs/dbraw/zinc/46/32/17/479463217.db2.gz DSMHHZMNNRMDTO-HUUCEWRRSA-N 1 3 328.416 2.835 10 5 EFBEHO O=[N+]([O-])c1ccc2[nH]cc(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000588959495 479463222 /nfs/dbraw/zinc/46/32/22/479463222.db2.gz DSMHHZMNNRMDTO-HUUCEWRRSA-N 1 3 328.416 2.835 10 5 EFBEHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC2CC([NH+]3CCCCC3)C2)n1 ZINC000619466098 479801753 /nfs/dbraw/zinc/80/17/53/479801753.db2.gz MBMZHZFWBZQCQB-BHUNQDJPSA-N 1 3 347.463 2.882 10 5 EFBEHO COc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000922848025 1267013276 /nfs/dbraw/zinc/01/32/76/1267013276.db2.gz KEZQEMVTXLNEDW-UHFFFAOYSA-N 1 3 349.431 2.806 10 5 EFBEHO C[NH+]1CCC(CNCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000162158188 716703833 /nfs/dbraw/zinc/70/38/33/716703833.db2.gz CJMXRPUEHYVFST-UHFFFAOYSA-N 1 3 342.237 2.789 10 5 EFBEHO CN(C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001612595089 1099070984 /nfs/dbraw/zinc/07/09/84/1099070984.db2.gz ZCXVAUKTAXSCKB-UHFFFAOYSA-N 1 3 348.369 2.909 10 5 EFBEHO CN(C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001612595089 1099070996 /nfs/dbraw/zinc/07/09/96/1099070996.db2.gz ZCXVAUKTAXSCKB-UHFFFAOYSA-N 1 3 348.369 2.909 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420367815 290251428 /nfs/dbraw/zinc/25/14/28/290251428.db2.gz ACKXHPGJFGMCOW-JEBQAFNWSA-N 1 3 333.432 2.874 10 5 EFBEHO [NH3+]C1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCCC1 ZINC000423208500 476963458 /nfs/dbraw/zinc/96/34/58/476963458.db2.gz YVKKPNZHXRLJTI-LSDHHAIUSA-N 1 3 335.452 2.916 10 5 EFBEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000594962489 478608102 /nfs/dbraw/zinc/60/81/02/478608102.db2.gz FNUFHMNFDOHCBC-ZDUSSCGKSA-N 1 3 342.871 2.610 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593739162 479441053 /nfs/dbraw/zinc/44/10/53/479441053.db2.gz YLNUPRRIMMIVJX-VKZRIFJHSA-N 1 3 333.432 2.874 10 5 EFBEHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000349979171 142386552 /nfs/dbraw/zinc/38/65/52/142386552.db2.gz WCXHCDCUKSIBAG-GOSISDBHSA-N 1 3 335.448 2.836 10 5 EFBEHO COc1ccc(-c2ccc(CNCC[C@@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414825963 312054964 /nfs/dbraw/zinc/05/49/64/312054964.db2.gz DKNFYMCKCGUFSY-ZDUSSCGKSA-N 1 3 345.399 2.953 10 5 EFBEHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594520248 478425385 /nfs/dbraw/zinc/42/53/85/478425385.db2.gz JGHRMYWQULBCHB-GSJFWJNXSA-N 1 3 329.347 2.626 10 5 EFBEHO NC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOCC1 ZINC000600776847 478516699 /nfs/dbraw/zinc/51/66/99/478516699.db2.gz SLMGXFRSYPFNQJ-UHFFFAOYSA-N 1 3 347.440 2.921 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593316417 479291119 /nfs/dbraw/zinc/29/11/19/479291119.db2.gz RLJHBLWFENRIFJ-JZXOWHBKSA-N 1 3 333.432 2.622 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593323728 479294638 /nfs/dbraw/zinc/29/46/38/479294638.db2.gz WBXZFULGRBGZAC-KBAYOESNSA-N 1 3 333.432 2.764 10 5 EFBEHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322928 479295476 /nfs/dbraw/zinc/29/54/76/479295476.db2.gz QDTZZTFQYSZXDF-LZLYRXPVSA-N 1 3 333.432 2.764 10 5 EFBEHO CC(C)C[N@H+](C)CCCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717009 479433396 /nfs/dbraw/zinc/43/33/96/479433396.db2.gz XARUPGCEULQOOT-CVEARBPZSA-N 1 3 337.468 2.843 10 5 EFBEHO CC(C)C[N@@H+](C)CCCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717009 479433403 /nfs/dbraw/zinc/43/34/03/479433403.db2.gz XARUPGCEULQOOT-CVEARBPZSA-N 1 3 337.468 2.843 10 5 EFBEHO CC(C)CN(C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717009 479433411 /nfs/dbraw/zinc/43/34/11/479433411.db2.gz XARUPGCEULQOOT-CVEARBPZSA-N 1 3 337.468 2.843 10 5 EFBEHO O=[N+]([O-])c1ccccc1N1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923297555 1261422023 /nfs/dbraw/zinc/42/20/23/1261422023.db2.gz JTVREHTUEGQGQR-ALOPSCKCSA-N 1 3 344.459 2.638 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420397286 245669860 /nfs/dbraw/zinc/66/98/60/245669860.db2.gz XBQYKIINGTUVRZ-QBIMZIAESA-N 1 3 333.432 2.874 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420367813 290251195 /nfs/dbraw/zinc/25/11/95/290251195.db2.gz ACKXHPGJFGMCOW-FSPWUOQZSA-N 1 3 333.432 2.874 10 5 EFBEHO O=[N+]([O-])c1cccc(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000594956914 478604038 /nfs/dbraw/zinc/60/40/38/478604038.db2.gz XMONYEGLKSJREO-UHFFFAOYSA-N 1 3 333.432 2.575 10 5 EFBEHO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901246 479059788 /nfs/dbraw/zinc/05/97/88/479059788.db2.gz TWJFVNLEVNLRMO-HNNXBMFYSA-N 1 3 333.432 2.815 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593316413 479291329 /nfs/dbraw/zinc/29/13/29/479291329.db2.gz RLJHBLWFENRIFJ-BQFCYCMXSA-N 1 3 333.432 2.622 10 5 EFBEHO Cc1c(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731509 479437549 /nfs/dbraw/zinc/43/75/49/479437549.db2.gz YMSXSIZFQKRSGN-JQHSSLGASA-N 1 3 333.432 2.764 10 5 EFBEHO O=C(CCNC1CC[NH+](C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000579222768 479675630 /nfs/dbraw/zinc/67/56/30/479675630.db2.gz DSAUCLPDXPTWSK-UHFFFAOYSA-N 1 3 346.431 2.530 10 5 EFBEHO O=[N+]([O-])c1cccc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000923321942 1261472381 /nfs/dbraw/zinc/47/23/81/1261472381.db2.gz JUXMMFFHANZUDS-ALOPSCKCSA-N 1 3 344.459 2.638 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000183373601 235033354 /nfs/dbraw/zinc/03/33/54/235033354.db2.gz DPNUMNAUAYHYEA-UHFFFAOYSA-N 1 3 347.459 2.980 10 5 EFBEHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N)CCCCCC1 ZINC000414860672 244375782 /nfs/dbraw/zinc/37/57/82/244375782.db2.gz QCJORFMCVHMMQK-AWEZNQCLSA-N 1 3 348.447 2.953 10 5 EFBEHO [NH3+]C1(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCCC1 ZINC000423208098 476963816 /nfs/dbraw/zinc/96/38/16/476963816.db2.gz YVKKPNZHXRLJTI-GJZGRUSLSA-N 1 3 335.452 2.916 10 5 EFBEHO CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270947 478501673 /nfs/dbraw/zinc/50/16/73/478501673.db2.gz GYUICHBFSHJSDN-UHFFFAOYSA-N 1 3 325.412 2.915 10 5 EFBEHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600756259 478506636 /nfs/dbraw/zinc/50/66/36/478506636.db2.gz HZWNXUYAUUNNCF-GOEBONIOSA-N 1 3 333.432 2.746 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600762494 478510188 /nfs/dbraw/zinc/51/01/88/478510188.db2.gz CVUJDQFJCZEJAE-KDOFPFPSSA-N 1 3 333.432 2.746 10 5 EFBEHO O=[N+]([O-])c1ccccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000594955942 478601979 /nfs/dbraw/zinc/60/19/79/478601979.db2.gz QJJMKWQGNWSWLB-UHFFFAOYSA-N 1 3 333.432 2.575 10 5 EFBEHO Cc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000594954438 478602837 /nfs/dbraw/zinc/60/28/37/478602837.db2.gz LNMSTJCOJPMWDV-UHFFFAOYSA-N 1 3 347.459 2.884 10 5 EFBEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000596361942 479265327 /nfs/dbraw/zinc/26/53/27/479265327.db2.gz NDRUNEDMSDURCY-AWEZNQCLSA-N 1 3 345.447 2.827 10 5 EFBEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000596361942 479265332 /nfs/dbraw/zinc/26/53/32/479265332.db2.gz NDRUNEDMSDURCY-AWEZNQCLSA-N 1 3 345.447 2.827 10 5 EFBEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000593319982 479293363 /nfs/dbraw/zinc/29/33/63/479293363.db2.gz HDEPKTCXIJAYLT-BYSCVUIBSA-N 1 3 345.443 2.969 10 5 EFBEHO Cc1c(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731510 479437385 /nfs/dbraw/zinc/43/73/85/479437385.db2.gz YMSXSIZFQKRSGN-KBAYOESNSA-N 1 3 333.432 2.764 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593739161 479440794 /nfs/dbraw/zinc/44/07/94/479440794.db2.gz YLNUPRRIMMIVJX-NOVWEMISSA-N 1 3 333.432 2.874 10 5 EFBEHO CC[NH+](CC)CC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578019 1299616556 /nfs/dbraw/zinc/61/65/56/1299616556.db2.gz AAJBXTSGKVJUQQ-SFHVURJKSA-N 1 3 335.448 2.682 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420367811 290250667 /nfs/dbraw/zinc/25/06/67/290250667.db2.gz ACKXHPGJFGMCOW-BVGQSLNGSA-N 1 3 333.432 2.874 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415106071 312095172 /nfs/dbraw/zinc/09/51/72/312095172.db2.gz JDEWAXFEUIPXMX-QZTJIDSGSA-N 1 3 333.432 2.622 10 5 EFBEHO O=[N+]([O-])c1ccc(OCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000195352551 474063350 /nfs/dbraw/zinc/06/33/50/474063350.db2.gz YENLCDFQQYDLPI-UHFFFAOYSA-N 1 3 333.432 2.781 10 5 EFBEHO [NH3+]C1(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCCC1 ZINC000423208097 476963641 /nfs/dbraw/zinc/96/36/41/476963641.db2.gz YVKKPNZHXRLJTI-CABCVRRESA-N 1 3 335.452 2.916 10 5 EFBEHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600762500 478510216 /nfs/dbraw/zinc/51/02/16/478510216.db2.gz CVUJDQFJCZEJAE-KSSFIOAISA-N 1 3 333.432 2.746 10 5 EFBEHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000595061472 478646647 /nfs/dbraw/zinc/64/66/47/478646647.db2.gz LCZJKHZPRJEXBY-HOTGVXAUSA-N 1 3 336.480 2.826 10 5 EFBEHO CC(C)C[N@H+](C)CCCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717010 479432799 /nfs/dbraw/zinc/43/27/99/479432799.db2.gz XARUPGCEULQOOT-HOTGVXAUSA-N 1 3 337.468 2.843 10 5 EFBEHO CC(C)C[N@@H+](C)CCCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717010 479432802 /nfs/dbraw/zinc/43/28/02/479432802.db2.gz XARUPGCEULQOOT-HOTGVXAUSA-N 1 3 337.468 2.843 10 5 EFBEHO CC(C)CN(C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593717010 479432807 /nfs/dbraw/zinc/43/28/07/479432807.db2.gz XARUPGCEULQOOT-HOTGVXAUSA-N 1 3 337.468 2.843 10 5 EFBEHO O=[N+]([O-])c1ccc2[nH]cc(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000588959492 479463307 /nfs/dbraw/zinc/46/33/07/479463307.db2.gz DSMHHZMNNRMDTO-GJZGRUSLSA-N 1 3 328.416 2.835 10 5 EFBEHO O=[N+]([O-])c1ccc2[nH]cc(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000588959492 479463312 /nfs/dbraw/zinc/46/33/12/479463312.db2.gz DSMHHZMNNRMDTO-GJZGRUSLSA-N 1 3 328.416 2.835 10 5 EFBEHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CCCCCC1 ZINC000423206417 246598427 /nfs/dbraw/zinc/59/84/27/246598427.db2.gz WULIGCHARMMEHN-AWEZNQCLSA-N 1 3 348.447 2.953 10 5 EFBEHO COc1ccc(-c2ccc(CNCC[C@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414825960 312055021 /nfs/dbraw/zinc/05/50/21/312055021.db2.gz DKNFYMCKCGUFSY-CYBMUJFWSA-N 1 3 345.399 2.953 10 5 EFBEHO COc1ccc(CNCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000353186343 475754031 /nfs/dbraw/zinc/75/40/31/475754031.db2.gz DVRMARRRODXJSL-UHFFFAOYSA-N 1 3 339.461 2.520 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420397287 477747630 /nfs/dbraw/zinc/74/76/30/477747630.db2.gz XBQYKIINGTUVRZ-RPVQJOFSSA-N 1 3 333.432 2.874 10 5 EFBEHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600756257 478505674 /nfs/dbraw/zinc/50/56/74/478505674.db2.gz HZWNXUYAUUNNCF-GDBMZVCRSA-N 1 3 333.432 2.746 10 5 EFBEHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600771546 478512886 /nfs/dbraw/zinc/51/28/86/478512886.db2.gz HNTAJYDGTSWQEX-YWPBOTNQSA-N 1 3 345.443 2.699 10 5 EFBEHO O=[N+]([O-])c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000594955953 478602425 /nfs/dbraw/zinc/60/24/25/478602425.db2.gz QRLGRSZKDGMLFS-UHFFFAOYSA-N 1 3 333.432 2.575 10 5 EFBEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599105294 479163026 /nfs/dbraw/zinc/16/30/26/479163026.db2.gz ZBMNVGOYMTUBBX-AWEZNQCLSA-N 1 3 345.447 2.827 10 5 EFBEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599105294 479163032 /nfs/dbraw/zinc/16/30/32/479163032.db2.gz ZBMNVGOYMTUBBX-AWEZNQCLSA-N 1 3 345.447 2.827 10 5 EFBEHO Cc1cc(NCC[N@@H+](C)CCCN(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000596425846 479290062 /nfs/dbraw/zinc/29/00/62/479290062.db2.gz WVKYEWCNQBHUPI-UHFFFAOYSA-N 1 3 345.447 2.747 10 5 EFBEHO Cc1cc(NCC[N@H+](C)CCCN(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000596425846 479290070 /nfs/dbraw/zinc/29/00/70/479290070.db2.gz WVKYEWCNQBHUPI-UHFFFAOYSA-N 1 3 345.447 2.747 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593323727 479294540 /nfs/dbraw/zinc/29/45/40/479294540.db2.gz WBXZFULGRBGZAC-JQHSSLGASA-N 1 3 333.432 2.764 10 5 EFBEHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322926 479294718 /nfs/dbraw/zinc/29/47/18/479294718.db2.gz QDTZZTFQYSZXDF-JZXOWHBKSA-N 1 3 333.432 2.764 10 5 EFBEHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322925 479295109 /nfs/dbraw/zinc/29/51/09/479295109.db2.gz QDTZZTFQYSZXDF-JFIYKMOQSA-N 1 3 333.432 2.764 10 5 EFBEHO O=[N+]([O-])c1ccc2[nH]cc(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000588959498 479462617 /nfs/dbraw/zinc/46/26/17/479462617.db2.gz DSMHHZMNNRMDTO-LSDHHAIUSA-N 1 3 328.416 2.835 10 5 EFBEHO O=[N+]([O-])c1ccc2[nH]cc(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000588959498 479462622 /nfs/dbraw/zinc/46/26/22/479462622.db2.gz DSMHHZMNNRMDTO-LSDHHAIUSA-N 1 3 328.416 2.835 10 5 EFBEHO O=[N+]([O-])c1ccc2[nH]cc(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000588959490 479463370 /nfs/dbraw/zinc/46/33/70/479463370.db2.gz DSMHHZMNNRMDTO-CABCVRRESA-N 1 3 328.416 2.835 10 5 EFBEHO O=[N+]([O-])c1ccc2[nH]cc(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000588959490 479463373 /nfs/dbraw/zinc/46/33/73/479463373.db2.gz DSMHHZMNNRMDTO-CABCVRRESA-N 1 3 328.416 2.835 10 5 EFBEHO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903511194 1312793225 /nfs/dbraw/zinc/79/32/25/1312793225.db2.gz WYLHIBFCGYRORD-BHYGNILZSA-N 1 3 344.459 2.556 10 5 EFBEHO CC[NH+](CC)CC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578014 1299616167 /nfs/dbraw/zinc/61/61/67/1299616167.db2.gz AAJBXTSGKVJUQQ-GOSISDBHSA-N 1 3 335.448 2.682 10 5 EFBEHO CC[NH+](CC)CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750039809 1311047172 /nfs/dbraw/zinc/04/71/72/1311047172.db2.gz KKVHGEFEVZSEGP-GOSISDBHSA-N 1 3 335.448 2.682 10 5 EFBEHO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000183454627 235086461 /nfs/dbraw/zinc/08/64/61/235086461.db2.gz IGVWSKSQESIHIK-HZPDHXFCSA-N 1 3 335.448 2.882 10 5 EFBEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349075235 146048273 /nfs/dbraw/zinc/04/82/73/146048273.db2.gz OCAXKBNPPCSNTD-LJQANCHMSA-N 1 3 348.491 2.751 10 5 EFBEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349075235 146048274 /nfs/dbraw/zinc/04/82/74/146048274.db2.gz OCAXKBNPPCSNTD-LJQANCHMSA-N 1 3 348.491 2.751 10 5 EFBEHO O=[N+]([O-])c1cccc(-c2nc(CNCC[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000414827222 312054840 /nfs/dbraw/zinc/05/48/40/312054840.db2.gz GWBQYAZMLCMJNH-LBPRGKRZSA-N 1 3 332.429 2.808 10 5 EFBEHO O=C(CC[NH2+]C1CC(N2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000567700169 319200050 /nfs/dbraw/zinc/20/00/50/319200050.db2.gz GJNGPMVQTUDOIA-UHFFFAOYSA-N 1 3 346.431 2.530 10 5 EFBEHO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375502 473367036 /nfs/dbraw/zinc/36/70/36/473367036.db2.gz NIBGCTWHRNLVDI-OAHLLOKOSA-N 1 3 334.464 2.614 10 5 EFBEHO Cc1cc(NCC2(N3CCCCC3)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000074767364 473059976 /nfs/dbraw/zinc/05/99/76/473059976.db2.gz MCYLDEFJMPVZBJ-UHFFFAOYSA-N 1 3 347.463 2.660 10 5 EFBEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595058825 478645405 /nfs/dbraw/zinc/64/54/05/478645405.db2.gz CXJGNDWJSIGNHJ-KXBFYZLASA-N 1 3 348.491 2.834 10 5 EFBEHO CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc2c1CC[NH2+]C2 ZINC000595894846 479055888 /nfs/dbraw/zinc/05/58/88/479055888.db2.gz ZLBLAZCUGIKHLJ-UHFFFAOYSA-N 1 3 325.412 2.915 10 5 EFBEHO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)nc2c1 ZINC000595901607 479059422 /nfs/dbraw/zinc/05/94/22/479059422.db2.gz YWRIXEHSMYYPRI-AWEZNQCLSA-N 1 3 344.415 2.948 10 5 EFBEHO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901247 479060035 /nfs/dbraw/zinc/06/00/35/479060035.db2.gz TWJFVNLEVNLRMO-OAHLLOKOSA-N 1 3 333.432 2.815 10 5 EFBEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000593320373 479293634 /nfs/dbraw/zinc/29/36/34/479293634.db2.gz HDEPKTCXIJAYLT-IWJYJPLXSA-N 1 3 345.443 2.969 10 5 EFBEHO