smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000093633734 619041735 /nfs/dbraw/zinc/04/17/35/619041735.db2.gz SGWMQVGDCIGHJE-UHFFFAOYSA-N 1 3 297.786 2.950 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCCC1 ZINC000594739282 349485617 /nfs/dbraw/zinc/48/56/17/349485617.db2.gz SGLUILBZURKKDB-ZDUSSCGKSA-N 1 3 291.395 2.777 20 5 CFBDHO C[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000404411543 348591285 /nfs/dbraw/zinc/59/12/85/348591285.db2.gz XWRFMUQMCUNIAL-CZUORRHYSA-N 1 3 291.395 2.587 20 5 CFBDHO C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CCN ZINC000404411543 348591288 /nfs/dbraw/zinc/59/12/88/348591288.db2.gz XWRFMUQMCUNIAL-CZUORRHYSA-N 1 3 291.395 2.587 20 5 CFBDHO C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CCN ZINC000404411543 348591291 /nfs/dbraw/zinc/59/12/91/348591291.db2.gz XWRFMUQMCUNIAL-CZUORRHYSA-N 1 3 291.395 2.587 20 5 CFBDHO Cc1ccc([C@H](C)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591579303 349031562 /nfs/dbraw/zinc/03/15/62/349031562.db2.gz HXDNNVMPJJVUOF-WFASDCNBSA-N 1 3 289.379 2.696 20 5 CFBDHO C[N@@H+]1CC[C@@H](NCCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962105 350349789 /nfs/dbraw/zinc/34/97/89/350349789.db2.gz RXIDHZPZHALECU-CQSZACIVSA-N 1 3 291.395 2.600 20 5 CFBDHO C[N@H+]1CC[C@@H](NCCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962105 350349791 /nfs/dbraw/zinc/34/97/91/350349791.db2.gz RXIDHZPZHALECU-CQSZACIVSA-N 1 3 291.395 2.600 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000037644208 372682224 /nfs/dbraw/zinc/68/22/24/372682224.db2.gz KKBHGOHJJUPVDV-STQMWFEESA-N 1 3 277.368 2.587 20 5 CFBDHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649076 372683721 /nfs/dbraw/zinc/68/37/21/372683721.db2.gz RLMAZQJYXUPRKH-CHWSQXEVSA-N 1 3 289.379 2.730 20 5 CFBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC[NH3+])CC1 ZINC000070187471 374143215 /nfs/dbraw/zinc/14/32/15/374143215.db2.gz CWZXCFKGFGQSFD-LBPRGKRZSA-N 1 3 277.368 2.717 20 5 CFBDHO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCNCC1 ZINC000347166717 380979840 /nfs/dbraw/zinc/97/98/40/380979840.db2.gz KWWZFOOACXPCAH-UHFFFAOYSA-N 1 3 291.395 2.867 20 5 CFBDHO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCNCC1 ZINC000347166717 380979850 /nfs/dbraw/zinc/97/98/50/380979850.db2.gz KWWZFOOACXPCAH-UHFFFAOYSA-N 1 3 291.395 2.867 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCNC[C@@H]1C ZINC000414948401 381638133 /nfs/dbraw/zinc/63/81/33/381638133.db2.gz XZKJENZXVYEUOR-GUTXKFCHSA-N 1 3 291.395 2.504 20 5 CFBDHO Cc1c([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000423363779 383065156 /nfs/dbraw/zinc/06/51/56/383065156.db2.gz AKRHOXPSZPHHIJ-AVGNSLFASA-N 1 3 277.368 2.824 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249376485 383342504 /nfs/dbraw/zinc/34/25/04/383342504.db2.gz KKBHGOHJJUPVDV-OLZOCXBDSA-N 1 3 277.368 2.587 20 5 CFBDHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422942446 532977748 /nfs/dbraw/zinc/97/77/48/532977748.db2.gz KFLFBDYXDBXROB-CXAGYDPISA-N 1 3 299.374 2.643 20 5 CFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](C)C[NH+](C)C ZINC000491558902 533384749 /nfs/dbraw/zinc/38/47/49/533384749.db2.gz HSBBDGKYMSNCCO-MQJVFOOVSA-N 1 3 291.395 2.785 20 5 CFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CN(C)C ZINC000491558902 533384754 /nfs/dbraw/zinc/38/47/54/533384754.db2.gz HSBBDGKYMSNCCO-MQJVFOOVSA-N 1 3 291.395 2.785 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC(C[NH+](C)C)CC1 ZINC000349963466 163042392 /nfs/dbraw/zinc/04/23/92/163042392.db2.gz DADREGUAVKOCQZ-UHFFFAOYSA-N 1 3 291.395 2.677 20 5 CFBDHO CC(C)[NH2+]CCCN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000564823252 290236348 /nfs/dbraw/zinc/23/63/48/290236348.db2.gz XMWSFQXQQQRSDS-CQSZACIVSA-N 1 3 293.411 2.894 20 5 CFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](C)N(C)C ZINC000895292513 618514660 /nfs/dbraw/zinc/51/46/60/618514660.db2.gz CXNBLTOJWWELGH-JWAFFJSPSA-N 1 3 291.395 2.928 20 5 CFBDHO CC(C)(C[NH3+])C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000903788979 621442284 /nfs/dbraw/zinc/44/22/84/621442284.db2.gz LXRVQNDOHGEIGO-UHFFFAOYSA-N 1 3 291.395 2.792 20 5 CFBDHO C[NH+](C)CCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000056524189 346611166 /nfs/dbraw/zinc/61/11/66/346611166.db2.gz OREDKZQNXXJTIW-UHFFFAOYSA-N 1 3 291.395 2.759 20 5 CFBDHO Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414792755 233354037 /nfs/dbraw/zinc/35/40/37/233354037.db2.gz CUDONAIGTPKWSS-UONOGXRCSA-N 1 3 277.368 2.510 20 5 CFBDHO C[C@H]1C[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123737041 187106494 /nfs/dbraw/zinc/10/64/94/187106494.db2.gz DRXJWZCTNPVZAK-XJKSGUPXSA-N 1 3 291.395 2.552 20 5 CFBDHO C[C@H]1C[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123737041 187106495 /nfs/dbraw/zinc/10/64/95/187106495.db2.gz DRXJWZCTNPVZAK-XJKSGUPXSA-N 1 3 291.395 2.552 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459729069 245286762 /nfs/dbraw/zinc/28/67/62/245286762.db2.gz DFYQDORMSYZQNV-CQSZACIVSA-N 1 3 291.395 2.725 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459729069 245286764 /nfs/dbraw/zinc/28/67/64/245286764.db2.gz DFYQDORMSYZQNV-CQSZACIVSA-N 1 3 291.395 2.725 20 5 CFBDHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648975 372685104 /nfs/dbraw/zinc/68/51/04/372685104.db2.gz WGFMZHYTQZWONB-QWHCGFSZSA-N 1 3 289.379 2.730 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417568 383694002 /nfs/dbraw/zinc/69/40/02/383694002.db2.gz RRRUFWMCACTAMP-SWLSCSKDSA-N 1 3 289.379 2.514 20 5 CFBDHO C[NH+](C)CCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439987 374776048 /nfs/dbraw/zinc/77/60/48/374776048.db2.gz JMQRBVBALAWLDE-UHFFFAOYSA-N 1 3 285.775 2.680 20 5 CFBDHO C[NH2+]CC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000347059430 380914054 /nfs/dbraw/zinc/91/40/54/380914054.db2.gz WYRAACJSSZLSIT-XQRVVYSFSA-N 1 3 289.379 2.539 20 5 CFBDHO C[C@@H](CCCC[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000415020862 381714837 /nfs/dbraw/zinc/71/48/37/381714837.db2.gz XXUUGAJPTOFWRH-JTQLQIEISA-N 1 3 285.775 2.855 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCNC1CC1 ZINC000415066470 381751962 /nfs/dbraw/zinc/75/19/62/381751962.db2.gz ITQSVBAAXVNXPC-ZDUSSCGKSA-N 1 3 291.395 2.648 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC000415066470 381751970 /nfs/dbraw/zinc/75/19/70/381751970.db2.gz ITQSVBAAXVNXPC-ZDUSSCGKSA-N 1 3 291.395 2.648 20 5 CFBDHO CC[NH2+]CCCN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000578756792 382951353 /nfs/dbraw/zinc/95/13/53/382951353.db2.gz PXLROJQJFRRDMA-ZDUSSCGKSA-N 1 3 279.384 2.505 20 5 CFBDHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176870 173010761 /nfs/dbraw/zinc/01/07/61/173010761.db2.gz DQZPBKBQQBIOQM-LBPRGKRZSA-N 1 3 279.384 2.833 20 5 CFBDHO CC[NH+]1CCC(CNCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000044517763 175191074 /nfs/dbraw/zinc/19/10/74/175191074.db2.gz JYZNMHNUDNLLSB-UHFFFAOYSA-N 1 3 291.395 2.725 20 5 CFBDHO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCNCC1 ZINC000037539303 276000199 /nfs/dbraw/zinc/00/01/99/276000199.db2.gz LFVZEOBBIOMNSG-UHFFFAOYSA-N 1 3 291.395 2.601 20 5 CFBDHO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCNCC1 ZINC000037539303 276000201 /nfs/dbraw/zinc/00/02/01/276000201.db2.gz LFVZEOBBIOMNSG-UHFFFAOYSA-N 1 3 291.395 2.601 20 5 CFBDHO CCCN(CCc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000037539303 276000202 /nfs/dbraw/zinc/00/02/02/276000202.db2.gz LFVZEOBBIOMNSG-UHFFFAOYSA-N 1 3 291.395 2.601 20 5 CFBDHO [NH3+]CCC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000563231875 290121642 /nfs/dbraw/zinc/12/16/42/290121642.db2.gz QSKMYBFYDQYUJH-HYXAFXHYSA-N 1 3 289.379 2.669 20 5 CFBDHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000583441475 325288413 /nfs/dbraw/zinc/28/84/13/325288413.db2.gz KDZIMPICUYOZRG-LBPRGKRZSA-N 1 3 285.347 2.904 20 5 CFBDHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422942449 534178431 /nfs/dbraw/zinc/17/84/31/534178431.db2.gz KFLFBDYXDBXROB-SUMWQHHRSA-N 1 3 299.374 2.643 20 5 CFBDHO C[NH+]1CCC(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049963760 618054599 /nfs/dbraw/zinc/05/45/99/618054599.db2.gz FOWWAUNNHMJOKW-UHFFFAOYSA-N 1 3 297.786 2.680 20 5 CFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)N(C)C ZINC000895292519 618514671 /nfs/dbraw/zinc/51/46/71/618514671.db2.gz CXNBLTOJWWELGH-UELRPHRMSA-N 1 3 291.395 2.928 20 5 CFBDHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817946917 632749740 /nfs/dbraw/zinc/74/97/40/632749740.db2.gz HTJQUDVLWXUONR-CYBMUJFWSA-N 1 3 299.374 2.947 20 5 CFBDHO Cc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000865788141 638574029 /nfs/dbraw/zinc/57/40/29/638574029.db2.gz ZTPQYBZCUNZONV-CQSZACIVSA-N 1 3 291.395 2.866 20 5 CFBDHO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC([NH3+])CC1 ZINC000091847001 650909976 /nfs/dbraw/zinc/90/99/76/650909976.db2.gz HUYDULLTOMSAND-UHFFFAOYSA-N 1 3 297.786 2.950 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000414904494 233393752 /nfs/dbraw/zinc/39/37/52/233393752.db2.gz LTBGJVDSHCKAGB-UKRRQHHQSA-N 1 3 291.395 2.648 20 5 CFBDHO C[C@@H]1C[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123737285 187106894 /nfs/dbraw/zinc/10/68/94/187106894.db2.gz DRXJWZCTNPVZAK-CJNGLKHVSA-N 1 3 291.395 2.552 20 5 CFBDHO C[C@@H]1C[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123737285 187106895 /nfs/dbraw/zinc/10/68/95/187106895.db2.gz DRXJWZCTNPVZAK-CJNGLKHVSA-N 1 3 291.395 2.552 20 5 CFBDHO CC[C@@H](NCC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271818877 191347146 /nfs/dbraw/zinc/34/71/46/191347146.db2.gz BWVIYMZICNSBJB-MRXNPFEDSA-N 1 3 289.379 2.897 20 5 CFBDHO CC[C@@H](NCC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271818877 191347149 /nfs/dbraw/zinc/34/71/49/191347149.db2.gz BWVIYMZICNSBJB-MRXNPFEDSA-N 1 3 289.379 2.897 20 5 CFBDHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422942448 237371986 /nfs/dbraw/zinc/37/19/86/237371986.db2.gz KFLFBDYXDBXROB-GUYCJALGSA-N 1 3 299.374 2.643 20 5 CFBDHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422915027 237341503 /nfs/dbraw/zinc/34/15/03/237341503.db2.gz AKXMFHOWFWTCFG-HOCLYGCPSA-N 1 3 291.395 2.635 20 5 CFBDHO C[C@H](N)C[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422916232 237346867 /nfs/dbraw/zinc/34/68/67/237346867.db2.gz CXFRIXISEYZQOA-STQMWFEESA-N 1 3 279.384 2.633 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423274080 238331429 /nfs/dbraw/zinc/33/14/29/238331429.db2.gz JSZNMESEKZCLBB-YUELXQCFSA-N 1 3 291.395 2.633 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423274080 238331431 /nfs/dbraw/zinc/33/14/31/238331431.db2.gz JSZNMESEKZCLBB-YUELXQCFSA-N 1 3 291.395 2.633 20 5 CFBDHO C[NH+](C)CCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000056522003 373567325 /nfs/dbraw/zinc/56/73/25/373567325.db2.gz MJINIDLRUZLLQO-UHFFFAOYSA-N 1 3 291.395 2.759 20 5 CFBDHO O=[N+]([O-])c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197929 373795579 /nfs/dbraw/zinc/79/55/79/373795579.db2.gz RXFGMESGBHXEDW-MRXNPFEDSA-N 1 3 289.379 2.559 20 5 CFBDHO C[NH2+]CCC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000070189030 374143695 /nfs/dbraw/zinc/14/36/95/374143695.db2.gz CIGMWAAYTRYBJD-ZDUSSCGKSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC[NH3+])CC1 ZINC000070187472 374144129 /nfs/dbraw/zinc/14/41/29/374144129.db2.gz CWZXCFKGFGQSFD-GFCCVEGCSA-N 1 3 277.368 2.717 20 5 CFBDHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181083 381569135 /nfs/dbraw/zinc/56/91/35/381569135.db2.gz MMLJJJYWOUBHIY-UONOGXRCSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181083 381569145 /nfs/dbraw/zinc/56/91/45/381569145.db2.gz MMLJJJYWOUBHIY-UONOGXRCSA-N 1 3 291.395 2.977 20 5 CFBDHO CCC[N@H+](CCCN(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000349422353 381930463 /nfs/dbraw/zinc/93/04/63/381930463.db2.gz VDGHTEQEBKHKGD-UHFFFAOYSA-N 1 3 279.384 2.759 20 5 CFBDHO CCC[N@@H+](CCCN(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000349422353 381930469 /nfs/dbraw/zinc/93/04/69/381930469.db2.gz VDGHTEQEBKHKGD-UHFFFAOYSA-N 1 3 279.384 2.759 20 5 CFBDHO C[NH2+]CC1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000420303155 382353969 /nfs/dbraw/zinc/35/39/69/382353969.db2.gz WYSLQNMZVQLYBP-ZDUSSCGKSA-N 1 3 291.395 2.896 20 5 CFBDHO C[NH2+]CC1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000420303153 382354545 /nfs/dbraw/zinc/35/45/45/382354545.db2.gz WYSLQNMZVQLYBP-CYBMUJFWSA-N 1 3 291.395 2.896 20 5 CFBDHO O=[N+]([O-])c1cccc(CN(CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420369604 382391310 /nfs/dbraw/zinc/39/13/10/382391310.db2.gz XUSOCEDMDDGRLX-CYBMUJFWSA-N 1 3 289.379 2.559 20 5 CFBDHO Cc1c(CN[C@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000231883874 382867367 /nfs/dbraw/zinc/86/73/67/382867367.db2.gz JDMYSPCJPWCFGL-OCCSQVGLSA-N 1 3 277.368 2.510 20 5 CFBDHO N[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017759 383014326 /nfs/dbraw/zinc/01/43/26/383014326.db2.gz XAVCHFYMDYZJRM-IRXDYDNUSA-N 1 3 297.358 2.872 20 5 CFBDHO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCN(C)C ZINC000289382647 197321533 /nfs/dbraw/zinc/32/15/33/197321533.db2.gz CTDHRPDOKZBXRR-JXMROGBWSA-N 1 3 291.395 2.882 20 5 CFBDHO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCN(C)C ZINC000289382647 197321535 /nfs/dbraw/zinc/32/15/35/197321535.db2.gz CTDHRPDOKZBXRR-JXMROGBWSA-N 1 3 291.395 2.882 20 5 CFBDHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc([N+](=O)[O-])c1 ZINC000424378131 393841563 /nfs/dbraw/zinc/84/15/63/393841563.db2.gz SEXYNLAIOUYIAN-RBSFLKMASA-N 1 3 277.368 2.905 20 5 CFBDHO CN(C)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433146500 394013547 /nfs/dbraw/zinc/01/35/47/394013547.db2.gz VNBLJDBBFLWMMI-HNNXBMFYSA-N 1 3 291.395 2.859 20 5 CFBDHO CC(C)[NH+]1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040675858 174373330 /nfs/dbraw/zinc/37/33/30/174373330.db2.gz XAUXNAISHAQBAM-UHFFFAOYSA-N 1 3 291.395 2.600 20 5 CFBDHO Cc1ccc(CNCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000566855477 290422710 /nfs/dbraw/zinc/42/27/10/290422710.db2.gz HCLJWJYBKUZZPO-UHFFFAOYSA-N 1 3 285.347 2.652 20 5 CFBDHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000583441474 325288310 /nfs/dbraw/zinc/28/83/10/325288310.db2.gz KDZIMPICUYOZRG-GFCCVEGCSA-N 1 3 285.347 2.904 20 5 CFBDHO CC(C)([NH3+])CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414808841 527258461 /nfs/dbraw/zinc/25/84/61/527258461.db2.gz UKBYYCGQQTWFRQ-JSGCOSHPSA-N 1 3 291.395 2.633 20 5 CFBDHO CCCC[C@@H](CN)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423298274 528821273 /nfs/dbraw/zinc/82/12/73/528821273.db2.gz NWYOCMUPIBIVFR-AAEUAGOBSA-N 1 3 265.357 2.763 20 5 CFBDHO CCCC[C@H](CN)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414815336 528954193 /nfs/dbraw/zinc/95/41/93/528954193.db2.gz PDALZFNPUDWSRA-CYBMUJFWSA-N 1 3 265.357 2.510 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)N(C)C ZINC000895292253 618514838 /nfs/dbraw/zinc/51/48/38/618514838.db2.gz ALKHFBLGOQAYAZ-KGLIPLIRSA-N 1 3 293.411 2.846 20 5 CFBDHO C[C@@H](CCCC[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841079405 621502899 /nfs/dbraw/zinc/50/28/99/621502899.db2.gz LZSOAKLGDKVXTK-JTQLQIEISA-N 1 3 285.775 2.855 20 5 CFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC[C@H](C)[NH3+] ZINC000423223087 529418221 /nfs/dbraw/zinc/41/82/21/529418221.db2.gz DTUUUTGYBJECHT-NWDGAFQWSA-N 1 3 297.424 2.792 20 5 CFBDHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170022 233185956 /nfs/dbraw/zinc/18/59/56/233185956.db2.gz BLPUCVHDNPXRRD-ZIAGYGMSSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170022 233185959 /nfs/dbraw/zinc/18/59/59/233185959.db2.gz BLPUCVHDNPXRRD-ZIAGYGMSSA-N 1 3 291.395 2.977 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414794471 233353366 /nfs/dbraw/zinc/35/33/66/233353366.db2.gz FRZQUANUPMYPGE-IUODEOHRSA-N 1 3 277.368 2.510 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@H]1CN ZINC000423274078 238331718 /nfs/dbraw/zinc/33/17/18/238331718.db2.gz JSZNMESEKZCLBB-SNPRPXQTSA-N 1 3 291.395 2.633 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423274078 238331724 /nfs/dbraw/zinc/33/17/24/238331724.db2.gz JSZNMESEKZCLBB-SNPRPXQTSA-N 1 3 291.395 2.633 20 5 CFBDHO O=[N+]([O-])c1ccccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197930 373794667 /nfs/dbraw/zinc/79/46/67/373794667.db2.gz CQRMMPXAEUINOB-HNNXBMFYSA-N 1 3 289.379 2.559 20 5 CFBDHO C[NH2+]CCC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000070188893 374143867 /nfs/dbraw/zinc/14/38/67/374143867.db2.gz DXOBIGOUXYPTCR-CYBMUJFWSA-N 1 3 291.395 2.977 20 5 CFBDHO CC[NH2+]CC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000129870706 377483766 /nfs/dbraw/zinc/48/37/66/377483766.db2.gz UVXNJNPFJFSZJU-CYBMUJFWSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414948402 381638298 /nfs/dbraw/zinc/63/82/98/381638298.db2.gz XZKJENZXVYEUOR-GZBFAFLISA-N 1 3 291.395 2.504 20 5 CFBDHO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000293722755 382251584 /nfs/dbraw/zinc/25/15/84/382251584.db2.gz PRDTUXPHVMDSLP-WCQYABFASA-N 1 3 279.384 2.752 20 5 CFBDHO C[NH2+]CCC1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000346693264 382476426 /nfs/dbraw/zinc/47/64/26/382476426.db2.gz LUKBOEOFKUISGV-UHFFFAOYSA-N 1 3 291.395 2.725 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249382673 383342152 /nfs/dbraw/zinc/34/21/52/383342152.db2.gz UAIZWNOYVZCUQP-CHWSQXEVSA-N 1 3 277.368 2.587 20 5 CFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@]1(C)CCC[NH2+]C1 ZINC000423348123 278298611 /nfs/dbraw/zinc/29/86/11/278298611.db2.gz SQCKOKIKPICNOT-BBRMVZONSA-N 1 3 291.395 2.505 20 5 CFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCNC1 ZINC000423348123 278298613 /nfs/dbraw/zinc/29/86/13/278298613.db2.gz SQCKOKIKPICNOT-BBRMVZONSA-N 1 3 291.395 2.505 20 5 CFBDHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332298316 295313751 /nfs/dbraw/zinc/31/37/51/295313751.db2.gz MRCZVQULAYPHIM-WWGRRREGSA-N 1 3 289.379 2.832 20 5 CFBDHO CCC[C@@H](NC[C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423297305 529011566 /nfs/dbraw/zinc/01/15/66/529011566.db2.gz JRRVWQHXMZUHIA-BXUZGUMPSA-N 1 3 265.357 2.620 20 5 CFBDHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2ccccc2[N+](=O)[O-])C1 ZINC000925517247 618855806 /nfs/dbraw/zinc/85/58/06/618855806.db2.gz ZSKKSNXBHUGJMF-KBPBESRZSA-N 1 3 291.395 2.633 20 5 CFBDHO CC(C)(C[NH3+])C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000903789335 621442360 /nfs/dbraw/zinc/44/23/60/621442360.db2.gz TWQHBYJXKXFSGY-UHFFFAOYSA-N 1 3 291.395 2.792 20 5 CFBDHO C[NH+]1CCC(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000084440107 650774222 /nfs/dbraw/zinc/77/42/22/650774222.db2.gz MRSDTJSGQJOUKL-UHFFFAOYSA-N 1 3 297.786 2.680 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593316195 349246830 /nfs/dbraw/zinc/24/68/30/349246830.db2.gz NAZWLHFJPQLPKE-LRDDRELGSA-N 1 3 291.395 2.853 20 5 CFBDHO Cc1c(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000598979180 350353197 /nfs/dbraw/zinc/35/31/97/350353197.db2.gz ZEOLHPTYPWTLBK-CQSZACIVSA-N 1 3 291.395 2.866 20 5 CFBDHO Cc1ccc([C@@H](C)[NH2+]CCCN(C)C)cc1[N+](=O)[O-] ZINC000020091857 372229105 /nfs/dbraw/zinc/22/91/05/372229105.db2.gz FPXCRIGWCSHYHE-GFCCVEGCSA-N 1 3 265.357 2.506 20 5 CFBDHO CCCN1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000035011194 372526635 /nfs/dbraw/zinc/52/66/35/372526635.db2.gz IPAFRXGHUYDMRH-UHFFFAOYSA-N 1 3 291.395 2.867 20 5 CFBDHO CC[NH2+]CC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000129864284 377483471 /nfs/dbraw/zinc/48/34/71/377483471.db2.gz LDAQZVFGDDTVMZ-CYBMUJFWSA-N 1 3 291.395 2.977 20 5 CFBDHO CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)CCCC[NH3+] ZINC000415008235 381703192 /nfs/dbraw/zinc/70/31/92/381703192.db2.gz DAQAXDJEJNJDJZ-GFCCVEGCSA-N 1 3 295.383 2.601 20 5 CFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC[NH3+])C1 ZINC000226326101 382826798 /nfs/dbraw/zinc/82/67/98/382826798.db2.gz OJFWLZPPMOBLJS-OLZOCXBDSA-N 1 3 277.368 2.717 20 5 CFBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC[NH3+])C1 ZINC000226326096 382826833 /nfs/dbraw/zinc/82/68/33/382826833.db2.gz OJFWLZPPMOBLJS-STQMWFEESA-N 1 3 277.368 2.717 20 5 CFBDHO [NH3+][C@H]1CCC[C@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000577650212 382866695 /nfs/dbraw/zinc/86/66/95/382866695.db2.gz IDSFFUZRYOPVBU-STQMWFEESA-N 1 3 297.786 2.650 20 5 CFBDHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000577650212 382866696 /nfs/dbraw/zinc/86/66/96/382866696.db2.gz IDSFFUZRYOPVBU-STQMWFEESA-N 1 3 297.786 2.650 20 5 CFBDHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423037373 383024010 /nfs/dbraw/zinc/02/40/10/383024010.db2.gz BHDDTCKLOMAJKR-WCQYABFASA-N 1 3 297.786 2.508 20 5 CFBDHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423037373 383024013 /nfs/dbraw/zinc/02/40/13/383024013.db2.gz BHDDTCKLOMAJKR-WCQYABFASA-N 1 3 297.786 2.508 20 5 CFBDHO C[C@@H]1CC2(CN1Cc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000572713241 383808771 /nfs/dbraw/zinc/80/87/71/383808771.db2.gz YGVSBACFHABEBQ-CYBMUJFWSA-N 1 3 289.379 2.559 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532474889 384033551 /nfs/dbraw/zinc/03/35/51/384033551.db2.gz WIFGKLLJUUZTRC-ZIAGYGMSSA-N 1 3 291.395 2.896 20 5 CFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+](C)C)CC1 ZINC000350917126 163112487 /nfs/dbraw/zinc/11/24/87/163112487.db2.gz HXWXTEPVDMJAAI-CYBMUJFWSA-N 1 3 291.395 2.929 20 5 CFBDHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584123728 325332730 /nfs/dbraw/zinc/33/27/30/325332730.db2.gz GYWGGBDMHWZIFR-CQSZACIVSA-N 1 3 291.395 2.760 20 5 CFBDHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083043 641616717 /nfs/dbraw/zinc/61/67/17/641616717.db2.gz GICMQNHCEYHHQS-UTUOFQBUSA-N 1 3 295.358 2.725 20 5 CFBDHO CN(C)[C@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877073215 643135730 /nfs/dbraw/zinc/13/57/30/643135730.db2.gz FNXCLVYHILKGAC-HOCLYGCPSA-N 1 3 291.395 2.600 20 5 CFBDHO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000091846420 650909898 /nfs/dbraw/zinc/90/98/98/650909898.db2.gz VQCMQTXIXCYAIW-UHFFFAOYSA-N 1 3 297.786 2.950 20 5 CFBDHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000251542437 650989638 /nfs/dbraw/zinc/98/96/38/650989638.db2.gz OYSSTFBOPKMFTB-WHOFXGATSA-N 1 3 277.368 2.763 20 5 CFBDHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000251542425 650989685 /nfs/dbraw/zinc/98/96/85/650989685.db2.gz OYSSTFBOPKMFTB-CORIIIEPSA-N 1 3 277.368 2.763 20 5 CFBDHO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CC[NH3+] ZINC000723891015 770707090 /nfs/dbraw/zinc/70/70/90/770707090.db2.gz JWPSZSHWIAYABC-GHMZBOCLSA-N 1 3 297.786 2.665 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCNCC1 ZINC000591278454 349006452 /nfs/dbraw/zinc/00/64/52/349006452.db2.gz DLXZKNKBVZPGON-DZGCQCFKSA-N 1 3 291.395 2.648 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000591278454 349006454 /nfs/dbraw/zinc/00/64/54/349006454.db2.gz DLXZKNKBVZPGON-DZGCQCFKSA-N 1 3 291.395 2.648 20 5 CFBDHO CN(CCCC1CC[NH2+]CC1)Cc1ccccc1[N+](=O)[O-] ZINC000592476544 349127019 /nfs/dbraw/zinc/12/70/19/349127019.db2.gz IAYKOYRPFRFZRZ-UHFFFAOYSA-N 1 3 291.395 2.806 20 5 CFBDHO [NH3+]C[C@@H]1CCCC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414793848 233353220 /nfs/dbraw/zinc/35/32/20/233353220.db2.gz FDXKEALAZSWEQP-YKHJJTLOSA-N 1 3 289.379 2.715 20 5 CFBDHO [NH3+]C[C@@H]1CCCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414793846 233353294 /nfs/dbraw/zinc/35/32/94/233353294.db2.gz FDXKEALAZSWEQP-PYMSSDGJSA-N 1 3 289.379 2.715 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414794470 233353764 /nfs/dbraw/zinc/35/37/64/233353764.db2.gz FRZQUANUPMYPGE-DOMZBBRYSA-N 1 3 277.368 2.510 20 5 CFBDHO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598956116 350348893 /nfs/dbraw/zinc/34/88/93/350348893.db2.gz XKWKHUGSNSHZQK-CYBMUJFWSA-N 1 3 277.368 2.557 20 5 CFBDHO O=[N+]([O-])c1cc(CNCC2CC[NH+](C3CC3)CC2)cs1 ZINC000278484557 194005344 /nfs/dbraw/zinc/00/53/44/194005344.db2.gz JZWXONDCPWFFGD-UHFFFAOYSA-N 1 3 295.408 2.620 20 5 CFBDHO C[C@@H]([NH3+])C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000347183471 380989703 /nfs/dbraw/zinc/98/97/03/380989703.db2.gz XHBXSHCNBBNIBW-RYWCDNDXSA-N 1 3 289.379 2.667 20 5 CFBDHO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCN(C)C ZINC000349413133 381928643 /nfs/dbraw/zinc/92/86/43/381928643.db2.gz CTDHRPDOKZBXRR-YFHOEESVSA-N 1 3 291.395 2.882 20 5 CFBDHO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCN(C)C ZINC000349413133 381928650 /nfs/dbraw/zinc/92/86/50/381928650.db2.gz CTDHRPDOKZBXRR-YFHOEESVSA-N 1 3 291.395 2.882 20 5 CFBDHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361096 382093178 /nfs/dbraw/zinc/09/31/78/382093178.db2.gz HKECBIQTIXBIFR-DOMZBBRYSA-N 1 3 279.384 2.833 20 5 CFBDHO C[NH+](C)CCCC(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000387212356 382596992 /nfs/dbraw/zinc/59/69/92/382596992.db2.gz JVFZWRAEEGUDBH-UHFFFAOYSA-N 1 3 297.374 2.944 20 5 CFBDHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423047051 383028301 /nfs/dbraw/zinc/02/83/01/383028301.db2.gz UOHXDLLIKHKGOZ-ZJUUUORDSA-N 1 3 285.775 2.506 20 5 CFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](C)C[NH+](C)C ZINC000491558900 533408374 /nfs/dbraw/zinc/40/83/74/533408374.db2.gz HSBBDGKYMSNCCO-CZAWJFPGSA-N 1 3 291.395 2.785 20 5 CFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CN(C)C ZINC000491558900 533408379 /nfs/dbraw/zinc/40/83/79/533408379.db2.gz HSBBDGKYMSNCCO-CZAWJFPGSA-N 1 3 291.395 2.785 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000420281252 394114920 /nfs/dbraw/zinc/11/49/20/394114920.db2.gz ZZQDSQOMKHBDAS-GFCCVEGCSA-N 1 3 277.368 2.635 20 5 CFBDHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422915026 394258431 /nfs/dbraw/zinc/25/84/31/394258431.db2.gz AKXMFHOWFWTCFG-GOEBONIOSA-N 1 3 291.395 2.635 20 5 CFBDHO [NH3+]CC[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000442920076 534654529 /nfs/dbraw/zinc/65/45/29/534654529.db2.gz GJPDKECVIVANKO-BTKRWWFXSA-N 1 3 289.379 2.669 20 5 CFBDHO CCC[C@H](NC[C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423297307 528224444 /nfs/dbraw/zinc/22/44/44/528224444.db2.gz JRRVWQHXMZUHIA-RISCZKNCSA-N 1 3 265.357 2.620 20 5 CFBDHO CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423256537 528309836 /nfs/dbraw/zinc/30/98/36/528309836.db2.gz BYEPKTOUDFKTPV-AAEUAGOBSA-N 1 3 265.357 2.619 20 5 CFBDHO CCC(N)(CC)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423291124 528952581 /nfs/dbraw/zinc/95/25/81/528952581.db2.gz GWZZQXVHKOSKFL-GFCCVEGCSA-N 1 3 279.384 2.633 20 5 CFBDHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877073216 643135580 /nfs/dbraw/zinc/13/55/80/643135580.db2.gz FNXCLVYHILKGAC-ZBFHGGJFSA-N 1 3 291.395 2.600 20 5 CFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H](C)C[NH3+] ZINC000423311192 529418278 /nfs/dbraw/zinc/41/82/78/529418278.db2.gz SVTQZWLBAOHAAE-NWDGAFQWSA-N 1 3 297.424 2.650 20 5 CFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CN ZINC000423311192 529418279 /nfs/dbraw/zinc/41/82/79/529418279.db2.gz SVTQZWLBAOHAAE-NWDGAFQWSA-N 1 3 297.424 2.650 20 5 CFBDHO CC(C)[C@H]([NH3+])CCN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596111679 349797059 /nfs/dbraw/zinc/79/70/59/349797059.db2.gz ZZQOFZGYLYCYGH-UKRRQHHQSA-N 1 3 293.411 2.879 20 5 CFBDHO CC(C)[C@H](N)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596111679 349797063 /nfs/dbraw/zinc/79/70/63/349797063.db2.gz ZZQOFZGYLYCYGH-UKRRQHHQSA-N 1 3 293.411 2.879 20 5 CFBDHO CNCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414863062 529971345 /nfs/dbraw/zinc/97/13/45/529971345.db2.gz WRRXCPKJQMLDGR-DZGCQCFKSA-N 1 3 291.395 2.505 20 5 CFBDHO C[NH2+]CCCN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414863062 529971346 /nfs/dbraw/zinc/97/13/46/529971346.db2.gz WRRXCPKJQMLDGR-DZGCQCFKSA-N 1 3 291.395 2.505 20 5 CFBDHO C[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000404411539 348591038 /nfs/dbraw/zinc/59/10/38/348591038.db2.gz XWRFMUQMCUNIAL-BBRMVZONSA-N 1 3 291.395 2.587 20 5 CFBDHO C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CCN ZINC000404411539 348591043 /nfs/dbraw/zinc/59/10/43/348591043.db2.gz XWRFMUQMCUNIAL-BBRMVZONSA-N 1 3 291.395 2.587 20 5 CFBDHO C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CCN ZINC000404411539 348591046 /nfs/dbraw/zinc/59/10/46/348591046.db2.gz XWRFMUQMCUNIAL-BBRMVZONSA-N 1 3 291.395 2.587 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCNCC1 ZINC000591278455 349006465 /nfs/dbraw/zinc/00/64/65/349006465.db2.gz DLXZKNKBVZPGON-HIFRSBDPSA-N 1 3 291.395 2.648 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000591278455 349006467 /nfs/dbraw/zinc/00/64/67/349006467.db2.gz DLXZKNKBVZPGON-HIFRSBDPSA-N 1 3 291.395 2.648 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593316197 349246414 /nfs/dbraw/zinc/24/64/14/349246414.db2.gz NAZWLHFJPQLPKE-MLGOLLRUSA-N 1 3 291.395 2.853 20 5 CFBDHO CCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435630133 240335094 /nfs/dbraw/zinc/33/50/94/240335094.db2.gz ZSJRVRHJLZLFPT-OAHLLOKOSA-N 1 3 291.395 2.601 20 5 CFBDHO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNCC1 ZINC000435630133 240335099 /nfs/dbraw/zinc/33/50/99/240335099.db2.gz ZSJRVRHJLZLFPT-OAHLLOKOSA-N 1 3 291.395 2.601 20 5 CFBDHO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNCC1 ZINC000435630133 240335105 /nfs/dbraw/zinc/33/51/05/240335105.db2.gz ZSJRVRHJLZLFPT-OAHLLOKOSA-N 1 3 291.395 2.601 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417569 383694118 /nfs/dbraw/zinc/69/41/18/383694118.db2.gz RRRUFWMCACTAMP-WFASDCNBSA-N 1 3 289.379 2.514 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(C[NH3+])cc1 ZINC000571444416 383694563 /nfs/dbraw/zinc/69/45/63/383694563.db2.gz AYPCABUKHZWFHP-UHFFFAOYSA-N 1 3 285.347 2.652 20 5 CFBDHO O=[N+]([O-])c1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197923 373794864 /nfs/dbraw/zinc/79/48/64/373794864.db2.gz CUWRROLBQDLSSN-INIZCTEOSA-N 1 3 289.379 2.559 20 5 CFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](C)C[NH+](C)C ZINC000491558903 246080289 /nfs/dbraw/zinc/08/02/89/246080289.db2.gz HSBBDGKYMSNCCO-YLHGKKIISA-N 1 3 291.395 2.785 20 5 CFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CN(C)C ZINC000491558903 246080294 /nfs/dbraw/zinc/08/02/94/246080294.db2.gz HSBBDGKYMSNCCO-YLHGKKIISA-N 1 3 291.395 2.785 20 5 CFBDHO Cc1c(CN2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000341174073 380815498 /nfs/dbraw/zinc/81/54/98/380815498.db2.gz FJAAWPRZOOSGRB-UHFFFAOYSA-N 1 3 291.395 2.677 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414933558 381623837 /nfs/dbraw/zinc/62/38/37/381623837.db2.gz XAJPAJSCSNBKCV-SNPRPXQTSA-N 1 3 291.395 2.775 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414954934 381647091 /nfs/dbraw/zinc/64/70/91/381647091.db2.gz SYIGFRJMAAOXCK-GZBFAFLISA-N 1 3 291.395 2.646 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414954934 381647102 /nfs/dbraw/zinc/64/71/02/381647102.db2.gz SYIGFRJMAAOXCK-GZBFAFLISA-N 1 3 291.395 2.646 20 5 CFBDHO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CCCC[NH3+] ZINC000415008236 381701884 /nfs/dbraw/zinc/70/18/84/381701884.db2.gz DAQAXDJEJNJDJZ-LBPRGKRZSA-N 1 3 295.383 2.601 20 5 CFBDHO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000299470007 381954522 /nfs/dbraw/zinc/95/45/22/381954522.db2.gz AHOLKWBDONIQDD-UHFFFAOYSA-N 1 3 289.379 2.701 20 5 CFBDHO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000293722726 382251234 /nfs/dbraw/zinc/25/12/34/382251234.db2.gz PRDTUXPHVMDSLP-AAEUAGOBSA-N 1 3 279.384 2.752 20 5 CFBDHO O=[N+]([O-])c1ccc(CN(CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420358508 382382362 /nfs/dbraw/zinc/38/23/62/382382362.db2.gz JGTUUWWWOIUMFY-ZDUSSCGKSA-N 1 3 289.379 2.559 20 5 CFBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386367743 382588475 /nfs/dbraw/zinc/58/84/75/382588475.db2.gz OQJLEAYCSWPSBB-MELADBBJSA-N 1 3 289.379 2.587 20 5 CFBDHO Cc1c(CN[C@@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000231883875 382867407 /nfs/dbraw/zinc/86/74/07/382867407.db2.gz JDMYSPCJPWCFGL-GXTWGEPZSA-N 1 3 277.368 2.510 20 5 CFBDHO Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423393628 383079354 /nfs/dbraw/zinc/07/93/54/383079354.db2.gz QSZOVAOVPZXWLA-FPMFFAJLSA-N 1 3 277.368 2.824 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C[NH3+])C1CCCC1 ZINC000423515946 383125016 /nfs/dbraw/zinc/12/50/16/383125016.db2.gz XRDGWIFGGYHBPJ-IUODEOHRSA-N 1 3 291.395 2.633 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414933554 279275112 /nfs/dbraw/zinc/27/51/12/279275112.db2.gz XAJPAJSCSNBKCV-BPLDGKMQSA-N 1 3 291.395 2.775 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@]1(C)CCC[NH2+]C1 ZINC000423348125 279381924 /nfs/dbraw/zinc/38/19/24/279381924.db2.gz SQCKOKIKPICNOT-CZUORRHYSA-N 1 3 291.395 2.505 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCNC1 ZINC000423348125 279381927 /nfs/dbraw/zinc/38/19/27/279381927.db2.gz SQCKOKIKPICNOT-CZUORRHYSA-N 1 3 291.395 2.505 20 5 CFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](C)C[NH3+] ZINC000423311191 529534272 /nfs/dbraw/zinc/53/42/72/529534272.db2.gz SVTQZWLBAOHAAE-NEPJUHHUSA-N 1 3 297.424 2.650 20 5 CFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CN ZINC000423311191 529534275 /nfs/dbraw/zinc/53/42/75/529534275.db2.gz SVTQZWLBAOHAAE-NEPJUHHUSA-N 1 3 297.424 2.650 20 5 CFBDHO Cc1ccc([C@H](C)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591579301 349031721 /nfs/dbraw/zinc/03/17/21/349031721.db2.gz HXDNNVMPJJVUOF-SWLSCSKDSA-N 1 3 289.379 2.696 20 5 CFBDHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271813947 191343386 /nfs/dbraw/zinc/34/33/86/191343386.db2.gz BESRREJSRJJEAY-GFCCVEGCSA-N 1 3 275.352 2.507 20 5 CFBDHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271813947 191343389 /nfs/dbraw/zinc/34/33/89/191343389.db2.gz BESRREJSRJJEAY-GFCCVEGCSA-N 1 3 275.352 2.507 20 5 CFBDHO O=[N+]([O-])c1ccccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278478754 194002577 /nfs/dbraw/zinc/00/25/77/194002577.db2.gz JBKBLZNDSUWJPJ-UHFFFAOYSA-N 1 3 289.379 2.559 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000163262607 378963066 /nfs/dbraw/zinc/96/30/66/378963066.db2.gz RFWFKGHLCYYWFV-KBPBESRZSA-N 1 3 291.395 2.896 20 5 CFBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000358521090 380901280 /nfs/dbraw/zinc/90/12/80/380901280.db2.gz WWHDYXHSCDKBAD-ZDUSSCGKSA-N 1 3 289.379 2.731 20 5 CFBDHO Cc1c([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000423363782 383064962 /nfs/dbraw/zinc/06/49/62/383064962.db2.gz AKRHOXPSZPHHIJ-XQQFMLRXSA-N 1 3 277.368 2.824 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000247123323 383145180 /nfs/dbraw/zinc/14/51/80/383145180.db2.gz RFWFKGHLCYYWFV-KGLIPLIRSA-N 1 3 291.395 2.896 20 5 CFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@]1(C)CCC[NH2+]C1 ZINC000423348126 278298504 /nfs/dbraw/zinc/29/85/04/278298504.db2.gz SQCKOKIKPICNOT-XJKSGUPXSA-N 1 3 291.395 2.505 20 5 CFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCNC1 ZINC000423348126 278298507 /nfs/dbraw/zinc/29/85/07/278298507.db2.gz SQCKOKIKPICNOT-XJKSGUPXSA-N 1 3 291.395 2.505 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000582115269 325177147 /nfs/dbraw/zinc/17/71/47/325177147.db2.gz GUCKYNGRUCYFPA-WCQYABFASA-N 1 3 279.384 2.752 20 5 CFBDHO [NH3+]CCCCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000843129436 631848598 /nfs/dbraw/zinc/84/85/98/631848598.db2.gz UEMIWXXMUJWVLS-UHFFFAOYSA-N 1 3 285.775 2.857 20 5 CFBDHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083042 641617223 /nfs/dbraw/zinc/61/72/23/641617223.db2.gz GICMQNHCEYHHQS-SDDRHHMPSA-N 1 3 295.358 2.725 20 5 CFBDHO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723892562 770708114 /nfs/dbraw/zinc/70/81/14/770708114.db2.gz RZRXTNVUBQQPFI-GHMZBOCLSA-N 1 3 297.786 2.665 20 5 CFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](C)C[NH3+] ZINC000423311194 529418412 /nfs/dbraw/zinc/41/84/12/529418412.db2.gz SVTQZWLBAOHAAE-VXGBXAGGSA-N 1 3 297.424 2.650 20 5 CFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CN ZINC000423311194 529418413 /nfs/dbraw/zinc/41/84/13/529418413.db2.gz SVTQZWLBAOHAAE-VXGBXAGGSA-N 1 3 297.424 2.650 20 5 CFBDHO C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595904639 349765329 /nfs/dbraw/zinc/76/53/29/349765329.db2.gz JMCCMRVHDMFCBX-DGCLKSJQSA-N 1 3 297.424 2.996 20 5 CFBDHO CC[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591579271 349032240 /nfs/dbraw/zinc/03/22/40/349032240.db2.gz FMFNJARWDHPLTK-HUUCEWRRSA-N 1 3 289.379 2.778 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417567 383693667 /nfs/dbraw/zinc/69/36/67/383693667.db2.gz RRRUFWMCACTAMP-IUODEOHRSA-N 1 3 289.379 2.514 20 5 CFBDHO [NH3+][C@@H]1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414995488 381686443 /nfs/dbraw/zinc/68/64/43/381686443.db2.gz FTPBRWHZEWHHMY-CMPLNLGQSA-N 1 3 297.786 2.855 20 5 CFBDHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361103 382093977 /nfs/dbraw/zinc/09/39/77/382093977.db2.gz HKECBIQTIXBIFR-SWLSCSKDSA-N 1 3 279.384 2.833 20 5 CFBDHO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CN(C)C ZINC000293815272 382289903 /nfs/dbraw/zinc/28/99/03/382289903.db2.gz VUAMZTCDTAWENB-KGLIPLIRSA-N 1 3 293.411 2.703 20 5 CFBDHO [NH3+]CCCN(Cc1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000352519935 382378280 /nfs/dbraw/zinc/37/82/80/382378280.db2.gz SXBDWNKSTCAZFI-UHFFFAOYSA-N 1 3 291.395 2.936 20 5 CFBDHO Cc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423393631 383079382 /nfs/dbraw/zinc/07/93/82/383079382.db2.gz QSZOVAOVPZXWLA-YUTCNCBUSA-N 1 3 277.368 2.824 20 5 CFBDHO CC[C@@H](N)C[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423458776 383103135 /nfs/dbraw/zinc/10/31/35/383103135.db2.gz HGPPUPOZHVDLBC-VXGBXAGGSA-N 1 3 297.424 2.792 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424367400 383204869 /nfs/dbraw/zinc/20/48/69/383204869.db2.gz LXCXTWRVVMYJHA-NWANDNLSSA-N 1 3 291.395 2.775 20 5 CFBDHO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000375801582 157287288 /nfs/dbraw/zinc/28/72/88/157287288.db2.gz LYOURIGMBOJKPL-OWCLPIDISA-N 1 3 289.379 2.557 20 5 CFBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+](C)C)CC1 ZINC000350917127 163112114 /nfs/dbraw/zinc/11/21/14/163112114.db2.gz HXWXTEPVDMJAAI-ZDUSSCGKSA-N 1 3 291.395 2.929 20 5 CFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[NH+]1CCC1 ZINC000514953474 270358973 /nfs/dbraw/zinc/35/89/73/270358973.db2.gz XDBAMEWUIHGNQT-SDNWHVSQSA-N 1 3 289.379 2.684 20 5 CFBDHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181084 278348487 /nfs/dbraw/zinc/34/84/87/278348487.db2.gz MMLJJJYWOUBHIY-ZIAGYGMSSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181084 278348489 /nfs/dbraw/zinc/34/84/89/278348489.db2.gz MMLJJJYWOUBHIY-ZIAGYGMSSA-N 1 3 291.395 2.977 20 5 CFBDHO N[C@@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000565783497 290325482 /nfs/dbraw/zinc/32/54/82/290325482.db2.gz BAJWKSDWANSDSN-CABCVRRESA-N 1 3 291.395 2.777 20 5 CFBDHO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CC[NH3+] ZINC000903497312 621395509 /nfs/dbraw/zinc/39/55/09/621395509.db2.gz VINCIAWWUSXVGH-GHMZBOCLSA-N 1 3 297.786 2.665 20 5 CFBDHO C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@H](O)CN ZINC000841093938 631338774 /nfs/dbraw/zinc/33/87/74/631338774.db2.gz VUPHOCYXBIAZPE-MRXNPFEDSA-N 1 3 294.398 2.744 20 5 CFBDHO C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@H](O)CN ZINC000841093938 631338779 /nfs/dbraw/zinc/33/87/79/631338779.db2.gz VUPHOCYXBIAZPE-MRXNPFEDSA-N 1 3 294.398 2.744 20 5 CFBDHO CCC[NH+]1CCC(NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000062726467 346690639 /nfs/dbraw/zinc/69/06/39/346690639.db2.gz NIYZOSJEEQHOOM-UHFFFAOYSA-N 1 3 291.395 2.601 20 5 CFBDHO Cc1c([C@@H](C)N[C@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591579359 349032219 /nfs/dbraw/zinc/03/22/19/349032219.db2.gz OEKPEGKJONRCNA-DOMZBBRYSA-N 1 3 289.379 2.696 20 5 CFBDHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170018 233185946 /nfs/dbraw/zinc/18/59/46/233185946.db2.gz BLPUCVHDNPXRRD-KBPBESRZSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170018 233185948 /nfs/dbraw/zinc/18/59/48/233185948.db2.gz BLPUCVHDNPXRRD-KBPBESRZSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070033 350370065 /nfs/dbraw/zinc/37/00/65/350370065.db2.gz JOZKRORIJBJQFN-KGLIPLIRSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000110644338 186308601 /nfs/dbraw/zinc/30/86/01/186308601.db2.gz NDKRYGWRFOCPKP-NEPJUHHUSA-N 1 3 277.368 2.715 20 5 CFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H](C)[NH3+])CC1 ZINC000110645195 186308854 /nfs/dbraw/zinc/30/88/54/186308854.db2.gz FTJAFYHORHYZIZ-NWDGAFQWSA-N 1 3 277.368 2.715 20 5 CFBDHO Cc1c([C@H](C)NCC2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000271807965 191340919 /nfs/dbraw/zinc/34/09/19/191340919.db2.gz ADSNAQPLHQWSSN-ZDUSSCGKSA-N 1 3 289.379 2.816 20 5 CFBDHO Cc1c([C@H](C)NCC2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000271807965 191340921 /nfs/dbraw/zinc/34/09/21/191340921.db2.gz ADSNAQPLHQWSSN-ZDUSSCGKSA-N 1 3 289.379 2.816 20 5 CFBDHO C[C@H](C[C@H](C)N)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422916231 237344943 /nfs/dbraw/zinc/34/49/43/237344943.db2.gz CXFRIXISEYZQOA-QWHCGFSZSA-N 1 3 279.384 2.633 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423216480 238283023 /nfs/dbraw/zinc/28/30/23/238283023.db2.gz ONAZWIANODMFEY-VNHYZAJKSA-N 1 3 291.395 2.504 20 5 CFBDHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423278257 299369119 /nfs/dbraw/zinc/36/91/19/299369119.db2.gz QLMXTPVBZKMMTA-CORIIIEPSA-N 1 3 277.368 2.763 20 5 CFBDHO Cc1c(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000118842799 376319485 /nfs/dbraw/zinc/31/94/85/376319485.db2.gz APRBRPUQRMJUGH-CQSZACIVSA-N 1 3 291.395 2.677 20 5 CFBDHO Cc1c(C[N@H+](C)C[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000118842799 376319489 /nfs/dbraw/zinc/31/94/89/376319489.db2.gz APRBRPUQRMJUGH-CQSZACIVSA-N 1 3 291.395 2.677 20 5 CFBDHO Cc1ccc([C@@H](C)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344293788 382256531 /nfs/dbraw/zinc/25/65/31/382256531.db2.gz RBTXMDUEIUPCBL-CYBMUJFWSA-N 1 3 289.379 2.816 20 5 CFBDHO Cc1ccc([C@@H](C)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344293788 382256534 /nfs/dbraw/zinc/25/65/34/382256534.db2.gz RBTXMDUEIUPCBL-CYBMUJFWSA-N 1 3 289.379 2.816 20 5 CFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386367742 382588241 /nfs/dbraw/zinc/58/82/41/382588241.db2.gz OQJLEAYCSWPSBB-MCIONIFRSA-N 1 3 289.379 2.587 20 5 CFBDHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423047050 383028366 /nfs/dbraw/zinc/02/83/66/383028366.db2.gz UOHXDLLIKHKGOZ-VHSXEESVSA-N 1 3 285.775 2.506 20 5 CFBDHO C[C@H]1CC2(CN1Cc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000572713242 383809206 /nfs/dbraw/zinc/80/92/06/383809206.db2.gz YGVSBACFHABEBQ-ZDUSSCGKSA-N 1 3 289.379 2.559 20 5 CFBDHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423389000 394280057 /nfs/dbraw/zinc/28/00/57/394280057.db2.gz NXEOQLBGQSFBKO-GUTXKFCHSA-N 1 3 277.368 2.905 20 5 CFBDHO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000375801581 157287321 /nfs/dbraw/zinc/28/73/21/157287321.db2.gz LYOURIGMBOJKPL-JYJNAYRXSA-N 1 3 289.379 2.557 20 5 CFBDHO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCNCC1 ZINC000037539302 173260033 /nfs/dbraw/zinc/26/00/33/173260033.db2.gz SRZQLNQIRIVBNO-UHFFFAOYSA-N 1 3 291.395 2.867 20 5 CFBDHO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCNCC1 ZINC000037539302 173260035 /nfs/dbraw/zinc/26/00/35/173260035.db2.gz SRZQLNQIRIVBNO-UHFFFAOYSA-N 1 3 291.395 2.867 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000582115267 325176784 /nfs/dbraw/zinc/17/67/84/325176784.db2.gz GUCKYNGRUCYFPA-AAEUAGOBSA-N 1 3 279.384 2.752 20 5 CFBDHO C[NH+]1CCC(C)(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000313780307 523753329 /nfs/dbraw/zinc/75/33/29/523753329.db2.gz AOQQHNULUHYXEU-UHFFFAOYSA-N 1 3 295.358 2.555 20 5 CFBDHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049553704 524170158 /nfs/dbraw/zinc/17/01/58/524170158.db2.gz MHQWFQVFEKAPSS-VXGBXAGGSA-N 1 3 265.357 2.586 20 5 CFBDHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049553701 524478357 /nfs/dbraw/zinc/47/83/57/524478357.db2.gz MHQWFQVFEKAPSS-RYUDHWBXSA-N 1 3 265.357 2.586 20 5 CFBDHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000902432694 621078418 /nfs/dbraw/zinc/07/84/18/621078418.db2.gz WIZHLCCPLRIEPC-HABKJSAYSA-N 1 3 289.379 2.571 20 5 CFBDHO Cc1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000925735818 648302896 /nfs/dbraw/zinc/30/28/96/648302896.db2.gz YBZYBLYUDCUIHJ-KBPBESRZSA-N 1 3 291.395 2.899 20 5 CFBDHO Cc1c([C@@H](C)N[C@@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591579361 349031973 /nfs/dbraw/zinc/03/19/73/349031973.db2.gz OEKPEGKJONRCNA-IUODEOHRSA-N 1 3 289.379 2.696 20 5 CFBDHO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598956117 350348981 /nfs/dbraw/zinc/34/89/81/350348981.db2.gz XKWKHUGSNSHZQK-ZDUSSCGKSA-N 1 3 277.368 2.557 20 5 CFBDHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070037 350370256 /nfs/dbraw/zinc/37/02/56/350370256.db2.gz JOZKRORIJBJQFN-ZIAGYGMSSA-N 1 3 291.395 2.977 20 5 CFBDHO N[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000422778566 237195751 /nfs/dbraw/zinc/19/57/51/237195751.db2.gz ASMWFIKXXCVFNM-JKSUJKDBSA-N 1 3 297.358 2.872 20 5 CFBDHO C[C@@H](N)C[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422916229 237340041 /nfs/dbraw/zinc/34/00/41/237340041.db2.gz CXFRIXISEYZQOA-CHWSQXEVSA-N 1 3 279.384 2.633 20 5 CFBDHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423278258 299417330 /nfs/dbraw/zinc/41/73/30/299417330.db2.gz QLMXTPVBZKMMTA-LNSITVRQSA-N 1 3 277.368 2.763 20 5 CFBDHO C[NH2+]CC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000063158889 373788057 /nfs/dbraw/zinc/78/80/57/373788057.db2.gz YHNWWSHGKNKAFF-GFCCVEGCSA-N 1 3 277.368 2.587 20 5 CFBDHO CC[NH2+]CC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000129870502 377482960 /nfs/dbraw/zinc/48/29/60/377482960.db2.gz UVXNJNPFJFSZJU-ZDUSSCGKSA-N 1 3 291.395 2.977 20 5 CFBDHO N[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017760 383014235 /nfs/dbraw/zinc/01/42/35/383014235.db2.gz XAVCHFYMDYZJRM-SJORKVTESA-N 1 3 297.358 2.872 20 5 CFBDHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423428778 383092677 /nfs/dbraw/zinc/09/26/77/383092677.db2.gz GTLZWMFEXWUDNX-XFBWCDHKSA-N 1 3 289.379 2.634 20 5 CFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431042075 383625398 /nfs/dbraw/zinc/62/53/98/383625398.db2.gz CIMYOVVMKJBQOZ-CYBMUJFWSA-N 1 3 289.379 2.731 20 5 CFBDHO C[N@H+](CCCCNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453604306 383871500 /nfs/dbraw/zinc/87/15/00/383871500.db2.gz ZAQISQCVWCACEZ-UHFFFAOYSA-N 1 3 277.368 2.559 20 5 CFBDHO C[N@@H+](CCCCNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453604306 383871508 /nfs/dbraw/zinc/87/15/08/383871508.db2.gz ZAQISQCVWCACEZ-UHFFFAOYSA-N 1 3 277.368 2.559 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000249370153 131121337 /nfs/dbraw/zinc/12/13/37/131121337.db2.gz ADUDLOGLTKLQOT-KGLIPLIRSA-N 1 3 291.395 2.896 20 5 CFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C)CC1 ZINC000344789399 162121868 /nfs/dbraw/zinc/12/18/68/162121868.db2.gz HCRAYGLGKAIQBJ-RAXLEYEMSA-N 1 3 289.379 2.682 20 5 CFBDHO CC[NH2+]CC1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000347006730 162580137 /nfs/dbraw/zinc/58/01/37/162580137.db2.gz CINWQZCATULMOM-UHFFFAOYSA-N 1 3 291.395 2.725 20 5 CFBDHO C[C@H](NCC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000044515213 175190058 /nfs/dbraw/zinc/19/00/58/175190058.db2.gz CVRAZZLIKRDKOT-LBPRGKRZSA-N 1 3 277.368 2.587 20 5 CFBDHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423389003 288088831 /nfs/dbraw/zinc/08/88/31/288088831.db2.gz NXEOQLBGQSFBKO-IPYPFGDCSA-N 1 3 277.368 2.905 20 5 CFBDHO C[C@H](C[NH3+])CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423308908 279289495 /nfs/dbraw/zinc/28/94/95/279289495.db2.gz PFIMICFQZWZIFM-QMTHXVAHSA-N 1 3 277.368 2.502 20 5 CFBDHO C[NH+](C)CCCC(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000387310171 324490133 /nfs/dbraw/zinc/49/01/33/324490133.db2.gz LABNJSQATVCBNM-UHFFFAOYSA-N 1 3 285.413 2.866 20 5 CFBDHO O=[N+]([O-])c1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197925 527386798 /nfs/dbraw/zinc/38/67/98/527386798.db2.gz CUWRROLBQDLSSN-MRXNPFEDSA-N 1 3 289.379 2.559 20 5 CFBDHO CCC[C@H](NC[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423297306 528222687 /nfs/dbraw/zinc/22/26/87/528222687.db2.gz JRRVWQHXMZUHIA-FZMZJTMJSA-N 1 3 265.357 2.620 20 5 CFBDHO CCC[C@@H](NC[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423297308 529009529 /nfs/dbraw/zinc/00/95/29/529009529.db2.gz JRRVWQHXMZUHIA-SMDDNHRTSA-N 1 3 265.357 2.620 20 5 CFBDHO C[C@H](CCCC[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841079406 621510421 /nfs/dbraw/zinc/51/04/21/621510421.db2.gz LZSOAKLGDKVXTK-SNVBAGLBSA-N 1 3 285.775 2.855 20 5 CFBDHO Cc1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000925735822 648303581 /nfs/dbraw/zinc/30/35/81/648303581.db2.gz YBZYBLYUDCUIHJ-UONOGXRCSA-N 1 3 291.395 2.899 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCCC1 ZINC000594739281 349485636 /nfs/dbraw/zinc/48/56/36/349485636.db2.gz SGLUILBZURKKDB-CYBMUJFWSA-N 1 3 291.395 2.777 20 5 CFBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCC[NH+](C)C ZINC000595015451 349550350 /nfs/dbraw/zinc/55/03/50/349550350.db2.gz NGBIBAZEOGYZKQ-LBPRGKRZSA-N 1 3 295.383 2.596 20 5 CFBDHO CNCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414863071 529971683 /nfs/dbraw/zinc/97/16/83/529971683.db2.gz WRRXCPKJQMLDGR-ZFWWWQNUSA-N 1 3 291.395 2.505 20 5 CFBDHO C[NH2+]CCCN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414863071 529971684 /nfs/dbraw/zinc/97/16/84/529971684.db2.gz WRRXCPKJQMLDGR-ZFWWWQNUSA-N 1 3 291.395 2.505 20 5 CFBDHO CC[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591579272 349031953 /nfs/dbraw/zinc/03/19/53/349031953.db2.gz FMFNJARWDHPLTK-LSDHHAIUSA-N 1 3 289.379 2.778 20 5 CFBDHO C[C@H]([NH3+])C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000110645193 186309233 /nfs/dbraw/zinc/30/92/33/186309233.db2.gz FTJAFYHORHYZIZ-RYUDHWBXSA-N 1 3 277.368 2.715 20 5 CFBDHO CC1(C)CCC[N@@H+]1CCNCCc1ccc([N+](=O)[O-])cc1 ZINC000602686943 350979337 /nfs/dbraw/zinc/97/93/37/350979337.db2.gz SMCDLNIBILIYLL-UHFFFAOYSA-N 1 3 291.395 2.601 20 5 CFBDHO CC1(C)CCC[N@H+]1CCNCCc1ccc([N+](=O)[O-])cc1 ZINC000602686943 350979341 /nfs/dbraw/zinc/97/93/41/350979341.db2.gz SMCDLNIBILIYLL-UHFFFAOYSA-N 1 3 291.395 2.601 20 5 CFBDHO C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CN(C)C ZINC000293815271 198783810 /nfs/dbraw/zinc/78/38/10/198783810.db2.gz VUAMZTCDTAWENB-KBPBESRZSA-N 1 3 293.411 2.703 20 5 CFBDHO NC[C@H]1CCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422915025 237341618 /nfs/dbraw/zinc/34/16/18/237341618.db2.gz AKXMFHOWFWTCFG-GDBMZVCRSA-N 1 3 291.395 2.635 20 5 CFBDHO C[NH2+]CCC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000070189635 374143848 /nfs/dbraw/zinc/14/38/48/374143848.db2.gz XZAFKRCQANDTRW-UHFFFAOYSA-N 1 3 291.395 2.725 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414933563 381625096 /nfs/dbraw/zinc/62/50/96/381625096.db2.gz XAJPAJSCSNBKCV-YUELXQCFSA-N 1 3 291.395 2.775 20 5 CFBDHO O=[N+]([O-])c1ccc(CNCCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414980039 381675002 /nfs/dbraw/zinc/67/50/02/381675002.db2.gz WEIOZKTVBPVMCW-LBPRGKRZSA-N 1 3 297.786 2.870 20 5 CFBDHO O=[N+]([O-])c1ccc(CNCCCCC[NH+]2CCCC2)cc1 ZINC000292900929 381894273 /nfs/dbraw/zinc/89/42/73/381894273.db2.gz DQGAWVZSAQNEKP-UHFFFAOYSA-N 1 3 291.395 2.951 20 5 CFBDHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000577650210 382866751 /nfs/dbraw/zinc/86/67/51/382866751.db2.gz IDSFFUZRYOPVBU-OLZOCXBDSA-N 1 3 297.786 2.650 20 5 CFBDHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000577650210 382866754 /nfs/dbraw/zinc/86/67/54/382866754.db2.gz IDSFFUZRYOPVBU-OLZOCXBDSA-N 1 3 297.786 2.650 20 5 CFBDHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176872 173010428 /nfs/dbraw/zinc/01/04/28/173010428.db2.gz DQZPBKBQQBIOQM-GFCCVEGCSA-N 1 3 279.384 2.833 20 5 CFBDHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271914917 278341397 /nfs/dbraw/zinc/34/13/97/278341397.db2.gz YRTFHZYLJUOILO-GFCCVEGCSA-N 1 3 275.352 2.507 20 5 CFBDHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271914917 278341398 /nfs/dbraw/zinc/34/13/98/278341398.db2.gz YRTFHZYLJUOILO-GFCCVEGCSA-N 1 3 275.352 2.507 20 5 CFBDHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648974 278351452 /nfs/dbraw/zinc/35/14/52/278351452.db2.gz WGFMZHYTQZWONB-OLZOCXBDSA-N 1 3 289.379 2.730 20 5 CFBDHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000089144935 279533686 /nfs/dbraw/zinc/53/36/86/279533686.db2.gz OYSSTFBOPKMFTB-LNSITVRQSA-N 1 3 277.368 2.763 20 5 CFBDHO [NH3+]CCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414915282 534605912 /nfs/dbraw/zinc/60/59/12/534605912.db2.gz YWVKIPQWOBHQHN-UHFFFAOYSA-N 1 3 289.335 2.683 20 5 CFBDHO C[NH+]1CCC(CNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050443952 523764366 /nfs/dbraw/zinc/76/43/66/523764366.db2.gz LSSSDUVYEWVSEL-UHFFFAOYSA-N 1 3 297.786 2.680 20 5 CFBDHO CC(C)c1ccc(C[NH2+][C@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000414811018 528101491 /nfs/dbraw/zinc/10/14/91/528101491.db2.gz VWVDSPPIJVCVNQ-CQSZACIVSA-N 1 3 277.368 2.545 20 5 CFBDHO CCCC[C@H](CN)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423298276 528955738 /nfs/dbraw/zinc/95/57/38/528955738.db2.gz NWYOCMUPIBIVFR-WCQYABFASA-N 1 3 265.357 2.763 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)N(C)C ZINC000895292252 618515073 /nfs/dbraw/zinc/51/50/73/618515073.db2.gz ALKHFBLGOQAYAZ-KBPBESRZSA-N 1 3 293.411 2.846 20 5 CFBDHO C[N@H+]1CC=C(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783652447 628731080 /nfs/dbraw/zinc/73/10/80/628731080.db2.gz MNOHAZRNQWRFKI-UHFFFAOYSA-N 1 3 295.770 2.600 20 5 CFBDHO C[N@@H+]1CC=C(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783652447 628731084 /nfs/dbraw/zinc/73/10/84/628731084.db2.gz MNOHAZRNQWRFKI-UHFFFAOYSA-N 1 3 295.770 2.600 20 5 CFBDHO [NH3+]CCCCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000843126541 631845695 /nfs/dbraw/zinc/84/56/95/631845695.db2.gz INTXJBRMEHFYCM-UHFFFAOYSA-N 1 3 285.775 2.857 20 5 CFBDHO Cc1c(C[NH2+]CC(C)(C)CN(C)C)cccc1[N+](=O)[O-] ZINC000035648666 649265746 /nfs/dbraw/zinc/26/57/46/649265746.db2.gz SGBFRRIQJAIQCF-UHFFFAOYSA-N 1 3 279.384 2.581 20 5 CFBDHO C[NH2+]C[C@H](C)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000122235591 529999969 /nfs/dbraw/zinc/99/99/69/529999969.db2.gz JWDWFXVEWABCII-JTQLQIEISA-N 1 3 288.351 2.719 20 5 CFBDHO CC[NH2+]CCCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591577175 349031131 /nfs/dbraw/zinc/03/11/31/349031131.db2.gz WFHWCRWBOVWNMA-HNNXBMFYSA-N 1 3 291.395 2.505 20 5 CFBDHO C[C@H]([NH3+])C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000110644344 186308679 /nfs/dbraw/zinc/30/86/79/186308679.db2.gz NDKRYGWRFOCPKP-RYUDHWBXSA-N 1 3 277.368 2.715 20 5 CFBDHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000110645188 186308885 /nfs/dbraw/zinc/30/88/85/186308885.db2.gz FTJAFYHORHYZIZ-NEPJUHHUSA-N 1 3 277.368 2.715 20 5 CFBDHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000423016569 295852352 /nfs/dbraw/zinc/85/23/52/295852352.db2.gz MYALXPQGSSRLGQ-RYUDHWBXSA-N 1 3 265.357 2.763 20 5 CFBDHO C[NH+](C)CCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963843 373338522 /nfs/dbraw/zinc/33/85/22/373338522.db2.gz CXSJRPSVDSFIQT-UHFFFAOYSA-N 1 3 285.775 2.680 20 5 CFBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507700 380892483 /nfs/dbraw/zinc/89/24/83/380892483.db2.gz LCPOOKURUNEXPW-ZDUSSCGKSA-N 1 3 289.379 2.731 20 5 CFBDHO [NH3+]C[C@H]1CC[C@H](CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000415019261 381713420 /nfs/dbraw/zinc/71/34/20/381713420.db2.gz DRSBLJPANCLQAX-XYPYZODXSA-N 1 3 283.397 2.511 20 5 CFBDHO Cc1c([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000293282478 382062976 /nfs/dbraw/zinc/06/29/76/382062976.db2.gz CWDCFQCRMYEDRN-YPMHNXCESA-N 1 3 279.384 2.752 20 5 CFBDHO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000293722741 382251294 /nfs/dbraw/zinc/25/12/94/382251294.db2.gz PRDTUXPHVMDSLP-DGCLKSJQSA-N 1 3 279.384 2.752 20 5 CFBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C[NH+](C)C)CC1 ZINC000488396302 383529114 /nfs/dbraw/zinc/52/91/14/383529114.db2.gz JJTOIQFJEODVJW-ZDUSSCGKSA-N 1 3 291.395 2.929 20 5 CFBDHO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000375801580 157285948 /nfs/dbraw/zinc/28/59/48/157285948.db2.gz LYOURIGMBOJKPL-HRCADAONSA-N 1 3 289.379 2.557 20 5 CFBDHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000089144931 290004809 /nfs/dbraw/zinc/00/48/09/290004809.db2.gz OYSSTFBOPKMFTB-NJZAAPMLSA-N 1 3 277.368 2.763 20 5 CFBDHO [NH3+]CCCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414897801 534605299 /nfs/dbraw/zinc/60/52/99/534605299.db2.gz CXQKYMKHTSWDRT-UHFFFAOYSA-N 1 3 289.335 2.683 20 5 CFBDHO CC(C)([NH3+])CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414808843 527256956 /nfs/dbraw/zinc/25/69/56/527256956.db2.gz UKBYYCGQQTWFRQ-TZMCWYRMSA-N 1 3 291.395 2.633 20 5 CFBDHO CC(C)C[C@H](CN)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423256539 528518478 /nfs/dbraw/zinc/51/84/78/528518478.db2.gz BYEPKTOUDFKTPV-WCQYABFASA-N 1 3 265.357 2.619 20 5 CFBDHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2ccccc2[N+](=O)[O-])C1 ZINC000925517273 618855649 /nfs/dbraw/zinc/85/56/49/618855649.db2.gz ZSKKSNXBHUGJMF-UONOGXRCSA-N 1 3 291.395 2.633 20 5 CFBDHO Cc1ccc([C@@H](C)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591579297 349032277 /nfs/dbraw/zinc/03/22/77/349032277.db2.gz HXDNNVMPJJVUOF-DOMZBBRYSA-N 1 3 289.379 2.696 20 5 CFBDHO C[N@@H+]1CC[C@@H](NCCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598978465 350353499 /nfs/dbraw/zinc/35/34/99/350353499.db2.gz UHUHMTLPBGHLJH-CQSZACIVSA-N 1 3 291.395 2.600 20 5 CFBDHO C[N@H+]1CC[C@@H](NCCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598978465 350353503 /nfs/dbraw/zinc/35/35/03/350353503.db2.gz UHUHMTLPBGHLJH-CQSZACIVSA-N 1 3 291.395 2.600 20 5 CFBDHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070032 350370312 /nfs/dbraw/zinc/37/03/12/350370312.db2.gz JOZKRORIJBJQFN-KBPBESRZSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@@H]([NH3+])C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000110644341 186308693 /nfs/dbraw/zinc/30/86/93/186308693.db2.gz NDKRYGWRFOCPKP-VXGBXAGGSA-N 1 3 277.368 2.715 20 5 CFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H](C)[NH3+])CC1 ZINC000110644346 186309218 /nfs/dbraw/zinc/30/92/18/186309218.db2.gz NDKRYGWRFOCPKP-NWDGAFQWSA-N 1 3 277.368 2.715 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417566 383694111 /nfs/dbraw/zinc/69/41/11/383694111.db2.gz RRRUFWMCACTAMP-DOMZBBRYSA-N 1 3 289.379 2.514 20 5 CFBDHO N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332309355 378746452 /nfs/dbraw/zinc/74/64/52/378746452.db2.gz OWSCYQCGGKXMLJ-OWCLPIDISA-N 1 3 289.379 2.832 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000163262488 378962835 /nfs/dbraw/zinc/96/28/35/378962835.db2.gz RFWFKGHLCYYWFV-UONOGXRCSA-N 1 3 291.395 2.896 20 5 CFBDHO C[C@@H]([NH3+])C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000347183470 380989919 /nfs/dbraw/zinc/98/99/19/380989919.db2.gz XHBXSHCNBBNIBW-DIECRNLCSA-N 1 3 289.379 2.667 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414954936 381647061 /nfs/dbraw/zinc/64/70/61/381647061.db2.gz SYIGFRJMAAOXCK-UMVBOHGHSA-N 1 3 291.395 2.646 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414954936 381647064 /nfs/dbraw/zinc/64/70/64/381647064.db2.gz SYIGFRJMAAOXCK-UMVBOHGHSA-N 1 3 291.395 2.646 20 5 CFBDHO [NH3+][C@H]1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414995490 381687591 /nfs/dbraw/zinc/68/75/91/381687591.db2.gz FTPBRWHZEWHHMY-JQWIXIFHSA-N 1 3 297.786 2.855 20 5 CFBDHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423037371 383023904 /nfs/dbraw/zinc/02/39/04/383023904.db2.gz BHDDTCKLOMAJKR-AAEUAGOBSA-N 1 3 297.786 2.508 20 5 CFBDHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423037371 383023908 /nfs/dbraw/zinc/02/39/08/383023908.db2.gz BHDDTCKLOMAJKR-AAEUAGOBSA-N 1 3 297.786 2.508 20 5 CFBDHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423427559 383092789 /nfs/dbraw/zinc/09/27/89/383092789.db2.gz FXPGDGOBCDHJAK-XFBWCDHKSA-N 1 3 289.379 2.634 20 5 CFBDHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271914918 385398623 /nfs/dbraw/zinc/39/86/23/385398623.db2.gz YRTFHZYLJUOILO-LBPRGKRZSA-N 1 3 275.352 2.507 20 5 CFBDHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271914918 385398628 /nfs/dbraw/zinc/39/86/28/385398628.db2.gz YRTFHZYLJUOILO-LBPRGKRZSA-N 1 3 275.352 2.507 20 5 CFBDHO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000375801583 157286131 /nfs/dbraw/zinc/28/61/31/157286131.db2.gz LYOURIGMBOJKPL-PMPSAXMXSA-N 1 3 289.379 2.557 20 5 CFBDHO C[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])CN(C)C ZINC000293815276 279351330 /nfs/dbraw/zinc/35/13/30/279351330.db2.gz VUAMZTCDTAWENB-ZIAGYGMSSA-N 1 3 293.411 2.703 20 5 CFBDHO C[C@H]([NH3+])c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414804994 279422732 /nfs/dbraw/zinc/42/27/32/279422732.db2.gz FYSJCXYPLIDFEB-LBPRGKRZSA-N 1 3 285.347 2.904 20 5 CFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169445 290251621 /nfs/dbraw/zinc/25/16/21/290251621.db2.gz CKCNDLFOCSCTKZ-CHWSQXEVSA-N 1 3 277.368 2.717 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000163261940 322374653 /nfs/dbraw/zinc/37/46/53/322374653.db2.gz WIFGKLLJUUZTRC-UONOGXRCSA-N 1 3 291.395 2.896 20 5 CFBDHO C[NH+](C)CCCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444036 524052879 /nfs/dbraw/zinc/05/28/79/524052879.db2.gz BDHKSLQUUZGCFI-UHFFFAOYSA-N 1 3 285.775 2.680 20 5 CFBDHO CCCC[C@H](CN)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423304985 528955880 /nfs/dbraw/zinc/95/58/80/528955880.db2.gz ZUXHKFUKEHVJPB-WCQYABFASA-N 1 3 265.357 2.763 20 5 CFBDHO CC[C@@H](NCC1=CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423349847 529158214 /nfs/dbraw/zinc/15/82/14/529158214.db2.gz XWPHPKKUQLKSHN-OAHLLOKOSA-N 1 3 275.352 2.555 20 5 CFBDHO CC1(C)C[NH2+]CC[C@H](NCCc2ccccc2[N+](=O)[O-])C1 ZINC000902332154 621039056 /nfs/dbraw/zinc/03/90/56/621039056.db2.gz CUADVMHZMBIASI-AWEZNQCLSA-N 1 3 291.395 2.505 20 5 CFBDHO C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1[N+](=O)[O-] ZINC000902430068 621076449 /nfs/dbraw/zinc/07/64/49/621076449.db2.gz OAXLHTRSNKDHGR-BPLDGKMQSA-N 1 3 291.395 2.948 20 5 CFBDHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000817946912 632749109 /nfs/dbraw/zinc/74/91/09/632749109.db2.gz HSRMMYLQQZRNOZ-ZDUSSCGKSA-N 1 3 299.374 2.947 20 5 CFBDHO Cc1c(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000925659464 648267356 /nfs/dbraw/zinc/26/73/56/648267356.db2.gz VAUHCRJETYFPKX-KBPBESRZSA-N 1 3 291.395 2.899 20 5 CFBDHO Cc1c(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000925659466 648267680 /nfs/dbraw/zinc/26/76/80/648267680.db2.gz VAUHCRJETYFPKX-KGLIPLIRSA-N 1 3 291.395 2.899 20 5 CFBDHO Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000925735824 648303125 /nfs/dbraw/zinc/30/31/25/648303125.db2.gz YBZYBLYUDCUIHJ-ZIAGYGMSSA-N 1 3 291.395 2.899 20 5 CFBDHO CN(CCCCCC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000710821057 781340756 /nfs/dbraw/zinc/34/07/56/781340756.db2.gz YCWCQTVTUCRCDJ-UHFFFAOYSA-N 1 3 265.357 2.546 20 5 CFBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCC[NH+](C)C ZINC000595015450 349550418 /nfs/dbraw/zinc/55/04/18/349550418.db2.gz NGBIBAZEOGYZKQ-GFCCVEGCSA-N 1 3 295.383 2.596 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593316192 349245669 /nfs/dbraw/zinc/24/56/69/349245669.db2.gz NAZWLHFJPQLPKE-BLLLJJGKSA-N 1 3 291.395 2.853 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000414794475 233353234 /nfs/dbraw/zinc/35/32/34/233353234.db2.gz FRZQUANUPMYPGE-WFASDCNBSA-N 1 3 277.368 2.510 20 5 CFBDHO C[C@@H]([NH3+])C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000110645191 186308659 /nfs/dbraw/zinc/30/86/59/186308659.db2.gz FTJAFYHORHYZIZ-VXGBXAGGSA-N 1 3 277.368 2.715 20 5 CFBDHO O=[N+]([O-])c1ccc(CC[NH2+]CCCN2CCCCC2)cc1 ZINC000602510162 350910219 /nfs/dbraw/zinc/91/02/19/350910219.db2.gz DKTXYIUKKLCYEQ-UHFFFAOYSA-N 1 3 291.395 2.603 20 5 CFBDHO O=[N+]([O-])c1ccc(CCNCCC[NH+]2CCCCC2)cc1 ZINC000602510162 350910225 /nfs/dbraw/zinc/91/02/25/350910225.db2.gz DKTXYIUKKLCYEQ-UHFFFAOYSA-N 1 3 291.395 2.603 20 5 CFBDHO Cc1c([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000293282474 382062898 /nfs/dbraw/zinc/06/28/98/382062898.db2.gz CWDCFQCRMYEDRN-WCQYABFASA-N 1 3 279.384 2.752 20 5 CFBDHO CC[C@H](N)C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423458775 383103325 /nfs/dbraw/zinc/10/33/25/383103325.db2.gz HGPPUPOZHVDLBC-RYUDHWBXSA-N 1 3 297.424 2.792 20 5 CFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(C)(C)C[NH+](C)C ZINC000449064904 383157913 /nfs/dbraw/zinc/15/79/13/383157913.db2.gz WWOBZLJMBDSIDR-ZDUSSCGKSA-N 1 3 293.411 2.703 20 5 CFBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431042076 383625360 /nfs/dbraw/zinc/62/53/60/383625360.db2.gz CIMYOVVMKJBQOZ-ZDUSSCGKSA-N 1 3 289.379 2.731 20 5 CFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C)CC1 ZINC000344789398 162122005 /nfs/dbraw/zinc/12/20/05/162122005.db2.gz HCRAYGLGKAIQBJ-JLHYYAGUSA-N 1 3 289.379 2.682 20 5 CFBDHO C[NH+]1CCC(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000044516297 175190637 /nfs/dbraw/zinc/19/06/37/175190637.db2.gz ZSZMLTMKUCDLRF-UHFFFAOYSA-N 1 3 297.786 2.680 20 5 CFBDHO [NH3+]CC[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000442920082 227209463 /nfs/dbraw/zinc/20/94/63/227209463.db2.gz GJPDKECVIVANKO-GBXSZLQWSA-N 1 3 289.379 2.669 20 5 CFBDHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423389005 288089384 /nfs/dbraw/zinc/08/93/84/288089384.db2.gz NXEOQLBGQSFBKO-YDHLFZDLSA-N 1 3 277.368 2.905 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423216476 279382810 /nfs/dbraw/zinc/38/28/10/279382810.db2.gz ONAZWIANODMFEY-NFAWXSAZSA-N 1 3 291.395 2.504 20 5 CFBDHO CN(C)CC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584123727 325332709 /nfs/dbraw/zinc/33/27/09/325332709.db2.gz GYWGGBDMHWZIFR-AWEZNQCLSA-N 1 3 291.395 2.760 20 5 CFBDHO CCCC[C@@H](CN)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423298277 528823331 /nfs/dbraw/zinc/82/33/31/528823331.db2.gz NWYOCMUPIBIVFR-YPMHNXCESA-N 1 3 265.357 2.763 20 5 CFBDHO CCCC[C@H](CN)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414808733 528954730 /nfs/dbraw/zinc/95/47/30/528954730.db2.gz FTJAEZJOPXQXGT-CYBMUJFWSA-N 1 3 265.357 2.510 20 5 CFBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000873048310 641994988 /nfs/dbraw/zinc/99/49/88/641994988.db2.gz WHOPVLLICIEHSY-AWEZNQCLSA-N 1 3 291.395 2.643 20 5 CFBDHO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723892656 770707647 /nfs/dbraw/zinc/70/76/47/770707647.db2.gz SZIMYCOVTHKTQY-GHMZBOCLSA-N 1 3 297.786 2.665 20 5 CFBDHO C[C@H]1CC2(CN1Cc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000591658936 349037911 /nfs/dbraw/zinc/03/79/11/349037911.db2.gz SRADMJKXBZSGEN-ZDUSSCGKSA-N 1 3 289.379 2.559 20 5 CFBDHO C[N@@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962104 350349842 /nfs/dbraw/zinc/34/98/42/350349842.db2.gz RXIDHZPZHALECU-AWEZNQCLSA-N 1 3 291.395 2.600 20 5 CFBDHO C[N@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962104 350349845 /nfs/dbraw/zinc/34/98/45/350349845.db2.gz RXIDHZPZHALECU-AWEZNQCLSA-N 1 3 291.395 2.600 20 5 CFBDHO CCC[NH+]1CCC(NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000611395167 351682207 /nfs/dbraw/zinc/68/22/07/351682207.db2.gz OMPIRCHRVBIKCN-UHFFFAOYSA-N 1 3 291.395 2.601 20 5 CFBDHO Cc1c([C@@H](C)NCC2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000271807963 191340193 /nfs/dbraw/zinc/34/01/93/191340193.db2.gz ADSNAQPLHQWSSN-CYBMUJFWSA-N 1 3 289.379 2.816 20 5 CFBDHO Cc1c([C@@H](C)NCC2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000271807963 191340194 /nfs/dbraw/zinc/34/01/94/191340194.db2.gz ADSNAQPLHQWSSN-CYBMUJFWSA-N 1 3 289.379 2.816 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCCCC1 ZINC000423187278 238262903 /nfs/dbraw/zinc/26/29/03/238262903.db2.gz XTKTUUBRIDPRFS-CYBMUJFWSA-N 1 3 291.395 2.777 20 5 CFBDHO CCN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000435630132 240335731 /nfs/dbraw/zinc/33/57/31/240335731.db2.gz ZSJRVRHJLZLFPT-HNNXBMFYSA-N 1 3 291.395 2.601 20 5 CFBDHO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCNCC1 ZINC000435630132 240335738 /nfs/dbraw/zinc/33/57/38/240335738.db2.gz ZSJRVRHJLZLFPT-HNNXBMFYSA-N 1 3 291.395 2.601 20 5 CFBDHO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCNCC1 ZINC000435630132 240335743 /nfs/dbraw/zinc/33/57/43/240335743.db2.gz ZSJRVRHJLZLFPT-HNNXBMFYSA-N 1 3 291.395 2.601 20 5 CFBDHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020087914 372226271 /nfs/dbraw/zinc/22/62/71/372226271.db2.gz REENILFADMUNTC-LBPRGKRZSA-N 1 3 279.384 2.833 20 5 CFBDHO C[NH2+]CC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000063159073 373788793 /nfs/dbraw/zinc/78/87/93/373788793.db2.gz KJMRPRHDGUNUIC-GFCCVEGCSA-N 1 3 277.368 2.587 20 5 CFBDHO CC[NH2+]CC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000113656091 376026167 /nfs/dbraw/zinc/02/61/67/376026167.db2.gz OUHRKPXQTPEKBE-UHFFFAOYSA-N 1 3 291.395 2.725 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN(C)C ZINC000151931310 378374136 /nfs/dbraw/zinc/37/41/36/378374136.db2.gz BJXAMMRHZVWLNJ-GFCCVEGCSA-N 1 3 265.357 2.506 20 5 CFBDHO [NH3+][C@H]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414995492 381687202 /nfs/dbraw/zinc/68/72/02/381687202.db2.gz FTPBRWHZEWHHMY-PWSUYJOCSA-N 1 3 297.786 2.855 20 5 CFBDHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423389004 383079083 /nfs/dbraw/zinc/07/90/83/383079083.db2.gz NXEOQLBGQSFBKO-NFAWXSAZSA-N 1 3 277.368 2.905 20 5 CFBDHO CC(C)([NH3+])CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414808840 393805996 /nfs/dbraw/zinc/80/59/96/393805996.db2.gz UKBYYCGQQTWFRQ-GXTWGEPZSA-N 1 3 291.395 2.633 20 5 CFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C[NH3+])C1CCCC1 ZINC000423515948 394288204 /nfs/dbraw/zinc/28/82/04/394288204.db2.gz XRDGWIFGGYHBPJ-WFASDCNBSA-N 1 3 291.395 2.633 20 5 CFBDHO CCC[NH+]1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040675862 174373458 /nfs/dbraw/zinc/37/34/58/174373458.db2.gz ZODFBKCIHJBUMF-UHFFFAOYSA-N 1 3 291.395 2.601 20 5 CFBDHO CC[NH+](CC)CCCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223718 276325528 /nfs/dbraw/zinc/32/55/28/276325528.db2.gz YQBAMDNWNIHGRW-CQSZACIVSA-N 1 3 293.411 2.847 20 5 CFBDHO CCN(CC)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223718 276325529 /nfs/dbraw/zinc/32/55/29/276325529.db2.gz YQBAMDNWNIHGRW-CQSZACIVSA-N 1 3 293.411 2.847 20 5 CFBDHO C[C@@H]([NH3+])c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414804993 278318734 /nfs/dbraw/zinc/31/87/34/278318734.db2.gz FYSJCXYPLIDFEB-GFCCVEGCSA-N 1 3 285.347 2.904 20 5 CFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCCCC1 ZINC000423187279 534254398 /nfs/dbraw/zinc/25/43/98/534254398.db2.gz XTKTUUBRIDPRFS-ZDUSSCGKSA-N 1 3 291.395 2.777 20 5 CFBDHO CCCC[C@@H](C[NH3+])N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299970 528821466 /nfs/dbraw/zinc/82/14/66/528821466.db2.gz QPMDXWKUZIXPMC-OCCSQVGLSA-N 1 3 279.384 2.633 20 5 CFBDHO Cc1c(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000925659470 618421644 /nfs/dbraw/zinc/42/16/44/618421644.db2.gz VAUHCRJETYFPKX-ZIAGYGMSSA-N 1 3 291.395 2.899 20 5 CFBDHO C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])c1ccccc1[N+](=O)[O-] ZINC000902430071 621076399 /nfs/dbraw/zinc/07/63/99/621076399.db2.gz OAXLHTRSNKDHGR-YUELXQCFSA-N 1 3 291.395 2.948 20 5 CFBDHO CCC[C@H]([NH2+]CC1(N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000902414473 621084412 /nfs/dbraw/zinc/08/44/12/621084412.db2.gz BFTCSYSSBGDBPW-ZDUSSCGKSA-N 1 3 263.341 2.517 20 5 CFBDHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817946918 632749091 /nfs/dbraw/zinc/74/90/91/632749091.db2.gz HTJQUDVLWXUONR-ZDUSSCGKSA-N 1 3 299.374 2.947 20 5 CFBDHO Cc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000865788140 638574723 /nfs/dbraw/zinc/57/47/23/638574723.db2.gz ZTPQYBZCUNZONV-AWEZNQCLSA-N 1 3 291.395 2.866 20 5 CFBDHO C[C@@H]1CC2(CN1Cc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000591658935 349037502 /nfs/dbraw/zinc/03/75/02/349037502.db2.gz SRADMJKXBZSGEN-CYBMUJFWSA-N 1 3 289.379 2.559 20 5 CFBDHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414826175 233368189 /nfs/dbraw/zinc/36/81/89/233368189.db2.gz VCFMZTKNRVGAJP-KCQAQPDRSA-N 1 3 291.395 2.633 20 5 CFBDHO Cc1ccc(CNCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000105454689 186057544 /nfs/dbraw/zinc/05/75/44/186057544.db2.gz IGEFXFZBDRECOR-UHFFFAOYSA-N 1 3 291.395 2.725 20 5 CFBDHO CC(C)(C)[N@@H+]1CC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602705574 350990335 /nfs/dbraw/zinc/99/03/35/350990335.db2.gz ILOLBSDUSUVRHO-CQSZACIVSA-N 1 3 291.395 2.600 20 5 CFBDHO CC(C)(C)[N@H+]1CC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602705574 350990337 /nfs/dbraw/zinc/99/03/37/350990337.db2.gz ILOLBSDUSUVRHO-CQSZACIVSA-N 1 3 291.395 2.600 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423274079 238329904 /nfs/dbraw/zinc/32/99/04/238329904.db2.gz JSZNMESEKZCLBB-VHDGCEQUSA-N 1 3 291.395 2.633 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423274079 238329910 /nfs/dbraw/zinc/32/99/10/238329910.db2.gz JSZNMESEKZCLBB-VHDGCEQUSA-N 1 3 291.395 2.633 20 5 CFBDHO C[NH2+]CCC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000070189031 374143940 /nfs/dbraw/zinc/14/39/40/374143940.db2.gz CIGMWAAYTRYBJD-CYBMUJFWSA-N 1 3 291.395 2.977 20 5 CFBDHO CC[NH2+]CC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000347223006 381011246 /nfs/dbraw/zinc/01/12/46/381011246.db2.gz USCONSABBIWHAO-UHFFFAOYSA-N 1 3 291.395 2.725 20 5 CFBDHO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000293776991 382275275 /nfs/dbraw/zinc/27/52/75/382275275.db2.gz SYCSCLQUGHHEHW-LRDDRELGSA-N 1 3 291.395 2.760 20 5 CFBDHO O=[N+]([O-])c1ccccc1CN(CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420356249 382380892 /nfs/dbraw/zinc/38/08/92/382380892.db2.gz GJMKDQXMKSBTTO-CYBMUJFWSA-N 1 3 289.379 2.559 20 5 CFBDHO N[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017757 383013519 /nfs/dbraw/zinc/01/35/19/383013519.db2.gz XAVCHFYMDYZJRM-DLBZAZTESA-N 1 3 297.358 2.872 20 5 CFBDHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423047048 383028338 /nfs/dbraw/zinc/02/83/38/383028338.db2.gz UOHXDLLIKHKGOZ-NXEZZACHSA-N 1 3 285.775 2.506 20 5 CFBDHO C[C@@H](C[NH3+])CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423308906 383056533 /nfs/dbraw/zinc/05/65/33/383056533.db2.gz PFIMICFQZWZIFM-HZMBPMFUSA-N 1 3 277.368 2.502 20 5 CFBDHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423428777 383092940 /nfs/dbraw/zinc/09/29/40/383092940.db2.gz GTLZWMFEXWUDNX-KNXALSJPSA-N 1 3 289.379 2.634 20 5 CFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[NH+]1CCC1 ZINC000514953472 270359255 /nfs/dbraw/zinc/35/92/55/270359255.db2.gz XDBAMEWUIHGNQT-KAMYIIQDSA-N 1 3 289.379 2.684 20 5 CFBDHO O=[N+]([O-])c1ccccc1CN(CC1CC[NH2+]CC1)C1CC1 ZINC000094021659 275039781 /nfs/dbraw/zinc/03/97/81/275039781.db2.gz XHNFAKFJNHYEOL-UHFFFAOYSA-N 1 3 289.379 2.559 20 5 CFBDHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049553702 279258151 /nfs/dbraw/zinc/25/81/51/279258151.db2.gz MHQWFQVFEKAPSS-NEPJUHHUSA-N 1 3 265.357 2.586 20 5 CFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226325126 290251114 /nfs/dbraw/zinc/25/11/14/290251114.db2.gz CKCNDLFOCSCTKZ-OLZOCXBDSA-N 1 3 277.368 2.717 20 5 CFBDHO CCC[C@H](NCC1=CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423348194 528217865 /nfs/dbraw/zinc/21/78/65/528217865.db2.gz SFJVTITWWSNYSL-INIZCTEOSA-N 1 3 289.379 2.945 20 5 CFBDHO CN(Cc1ccccc1[N+](=O)[O-])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884440 621463794 /nfs/dbraw/zinc/46/37/94/621463794.db2.gz ZUQXRZOROUODCJ-LQDVMPOASA-N 1 3 289.379 2.557 20 5 CFBDHO CC[C@H](NCC1=CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423349846 529593662 /nfs/dbraw/zinc/59/36/62/529593662.db2.gz XWPHPKKUQLKSHN-HNNXBMFYSA-N 1 3 275.352 2.555 20 5 CFBDHO CNCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414863068 529971364 /nfs/dbraw/zinc/97/13/64/529971364.db2.gz WRRXCPKJQMLDGR-UKRRQHHQSA-N 1 3 291.395 2.505 20 5 CFBDHO C[NH2+]CCCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414863068 529971365 /nfs/dbraw/zinc/97/13/65/529971365.db2.gz WRRXCPKJQMLDGR-UKRRQHHQSA-N 1 3 291.395 2.505 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCNCC1 ZINC000591278456 349006381 /nfs/dbraw/zinc/00/63/81/349006381.db2.gz DLXZKNKBVZPGON-UKRRQHHQSA-N 1 3 291.395 2.648 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000591278456 349006384 /nfs/dbraw/zinc/00/63/84/349006384.db2.gz DLXZKNKBVZPGON-UKRRQHHQSA-N 1 3 291.395 2.648 20 5 CFBDHO Cc1c([C@H](C)N[C@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591579363 349031578 /nfs/dbraw/zinc/03/15/78/349031578.db2.gz OEKPEGKJONRCNA-WFASDCNBSA-N 1 3 289.379 2.696 20 5 CFBDHO Cc1c([C@H](C)N[C@@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591579362 349031669 /nfs/dbraw/zinc/03/16/69/349031669.db2.gz OEKPEGKJONRCNA-SWLSCSKDSA-N 1 3 289.379 2.696 20 5 CFBDHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170020 233185897 /nfs/dbraw/zinc/18/58/97/233185897.db2.gz BLPUCVHDNPXRRD-KGLIPLIRSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170020 233185898 /nfs/dbraw/zinc/18/58/98/233185898.db2.gz BLPUCVHDNPXRRD-KGLIPLIRSA-N 1 3 291.395 2.977 20 5 CFBDHO C[NH+]1CCC2(CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000602877667 351054694 /nfs/dbraw/zinc/05/46/94/351054694.db2.gz JBHYJAMWTOPTOJ-UHFFFAOYSA-N 1 3 289.379 2.513 20 5 CFBDHO CN(C)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433146502 240109929 /nfs/dbraw/zinc/10/99/29/240109929.db2.gz VNBLJDBBFLWMMI-OAHLLOKOSA-N 1 3 291.395 2.859 20 5 CFBDHO Cc1c(CN[C@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000231883877 189815736 /nfs/dbraw/zinc/81/57/36/189815736.db2.gz JDMYSPCJPWCFGL-JSGCOSHPSA-N 1 3 277.368 2.510 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644220 372681701 /nfs/dbraw/zinc/68/17/01/372681701.db2.gz ADUDLOGLTKLQOT-KBPBESRZSA-N 1 3 291.395 2.896 20 5 CFBDHO C[NH2+]CCC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000070188892 374144188 /nfs/dbraw/zinc/14/41/88/374144188.db2.gz DXOBIGOUXYPTCR-ZDUSSCGKSA-N 1 3 291.395 2.977 20 5 CFBDHO Cc1c([C@H](C)[NH2+]CCCN(C)C)cccc1[N+](=O)[O-] ZINC000151931739 378374157 /nfs/dbraw/zinc/37/41/57/378374157.db2.gz HLUXYVQGNIAWEB-LBPRGKRZSA-N 1 3 265.357 2.506 20 5 CFBDHO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332309350 378745463 /nfs/dbraw/zinc/74/54/63/378745463.db2.gz OWSCYQCGGKXMLJ-BZUAXINKSA-N 1 3 289.379 2.832 20 5 CFBDHO O=[N+]([O-])c1ccc(CN(CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420358507 382381639 /nfs/dbraw/zinc/38/16/39/382381639.db2.gz JGTUUWWWOIUMFY-CYBMUJFWSA-N 1 3 289.379 2.559 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000247123343 383145492 /nfs/dbraw/zinc/14/54/92/383145492.db2.gz RFWFKGHLCYYWFV-ZIAGYGMSSA-N 1 3 291.395 2.896 20 5 CFBDHO C[N@H+](CCCCNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000453594968 383865066 /nfs/dbraw/zinc/86/50/66/383865066.db2.gz IYBIWPYYILSHSK-UHFFFAOYSA-N 1 3 283.397 2.620 20 5 CFBDHO C[N@@H+](CCCCNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000453594968 383865070 /nfs/dbraw/zinc/86/50/70/383865070.db2.gz IYBIWPYYILSHSK-UHFFFAOYSA-N 1 3 283.397 2.620 20 5 CFBDHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423427558 394281426 /nfs/dbraw/zinc/28/14/26/394281426.db2.gz FXPGDGOBCDHJAK-KNXALSJPSA-N 1 3 289.379 2.634 20 5 CFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N)CC ZINC000423458774 394282758 /nfs/dbraw/zinc/28/27/58/394282758.db2.gz HGPPUPOZHVDLBC-NWDGAFQWSA-N 1 3 297.424 2.792 20 5 CFBDHO C[NH+](C)C1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000353408049 163359049 /nfs/dbraw/zinc/35/90/49/163359049.db2.gz TUKMWFGQNBWMQK-UHFFFAOYSA-N 1 3 277.368 2.557 20 5 CFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000358521089 278313106 /nfs/dbraw/zinc/31/31/06/278313106.db2.gz WWHDYXHSCDKBAD-CYBMUJFWSA-N 1 3 289.379 2.731 20 5 CFBDHO CCC[C@@H]([NH2+]CC1(N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000902414472 621084585 /nfs/dbraw/zinc/08/45/85/621084585.db2.gz BFTCSYSSBGDBPW-CYBMUJFWSA-N 1 3 263.341 2.517 20 5 CFBDHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414826172 233367771 /nfs/dbraw/zinc/36/77/71/233367771.db2.gz VCFMZTKNRVGAJP-GUTXKFCHSA-N 1 3 291.395 2.633 20 5 CFBDHO CC(C)(C)[N@@H+]1CC[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602705573 350989814 /nfs/dbraw/zinc/98/98/14/350989814.db2.gz ILOLBSDUSUVRHO-AWEZNQCLSA-N 1 3 291.395 2.600 20 5 CFBDHO CC(C)(C)[N@H+]1CC[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602705573 350989818 /nfs/dbraw/zinc/98/98/18/350989818.db2.gz ILOLBSDUSUVRHO-AWEZNQCLSA-N 1 3 291.395 2.600 20 5 CFBDHO C[NH+](C)CCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056522686 373567133 /nfs/dbraw/zinc/56/71/33/373567133.db2.gz DJOPUXRAUFOZRB-UHFFFAOYSA-N 1 3 291.395 2.759 20 5 CFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507697 380893818 /nfs/dbraw/zinc/89/38/18/380893818.db2.gz LCPOOKURUNEXPW-CYBMUJFWSA-N 1 3 289.379 2.731 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCNC[C@H]1C ZINC000414948403 381638254 /nfs/dbraw/zinc/63/82/54/381638254.db2.gz XZKJENZXVYEUOR-NFAWXSAZSA-N 1 3 291.395 2.504 20 5 CFBDHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361106 382093509 /nfs/dbraw/zinc/09/35/09/382093509.db2.gz HKECBIQTIXBIFR-WFASDCNBSA-N 1 3 279.384 2.833 20 5 CFBDHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000570162283 383577862 /nfs/dbraw/zinc/57/78/62/383577862.db2.gz JDAMWKCGZLZBPS-GFCCVEGCSA-N 1 3 285.347 2.904 20 5 CFBDHO C[N@H+](CCCCNCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000453600171 383869519 /nfs/dbraw/zinc/86/95/19/383869519.db2.gz RQMUMMWOFASHNR-UHFFFAOYSA-N 1 3 295.358 2.698 20 5 CFBDHO C[N@@H+](CCCCNCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000453600171 383869523 /nfs/dbraw/zinc/86/95/23/383869523.db2.gz RQMUMMWOFASHNR-UHFFFAOYSA-N 1 3 295.358 2.698 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C[NH3+])C1CCCC1 ZINC000423515945 394287944 /nfs/dbraw/zinc/28/79/44/394287944.db2.gz XRDGWIFGGYHBPJ-DOMZBBRYSA-N 1 3 291.395 2.633 20 5 CFBDHO [NH3+]CC[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000442920097 227211599 /nfs/dbraw/zinc/21/15/99/227211599.db2.gz GJPDKECVIVANKO-ZBKLQPJUSA-N 1 3 289.379 2.669 20 5 CFBDHO [NH3+]CCC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000563231874 290121851 /nfs/dbraw/zinc/12/18/51/290121851.db2.gz QSKMYBFYDQYUJH-HWKANZROSA-N 1 3 289.379 2.669 20 5 CFBDHO [NH3+]CCCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414899883 534606043 /nfs/dbraw/zinc/60/60/43/534606043.db2.gz GUWZVBJKQHYTGR-UHFFFAOYSA-N 1 3 289.335 2.683 20 5 CFBDHO CC1(C)C[C@@H](NCCc2ccccc2[N+](=O)[O-])C[C@@H]([NH3+])C1 ZINC000925517270 618855570 /nfs/dbraw/zinc/85/55/70/618855570.db2.gz ZSKKSNXBHUGJMF-KGLIPLIRSA-N 1 3 291.395 2.633 20 5 CFBDHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000902432116 621077483 /nfs/dbraw/zinc/07/74/83/621077483.db2.gz VDSJXHZAXDSBOS-VNHYZAJKSA-N 1 3 291.395 2.805 20 5 CFBDHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000902432114 621077933 /nfs/dbraw/zinc/07/79/33/621077933.db2.gz VDSJXHZAXDSBOS-NFAWXSAZSA-N 1 3 291.395 2.805 20 5 CFBDHO C[C@@H](NCCCC[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030147 641560199 /nfs/dbraw/zinc/56/01/99/641560199.db2.gz ZWXWWRNWHCBWFE-LLVKDONJSA-N 1 3 283.347 2.726 20 5 CFBDHO CC(C)[C@H]([NH3+])CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000596101326 349794633 /nfs/dbraw/zinc/79/46/33/349794633.db2.gz FVELCTHEIHBPDM-HZRUHFOJSA-N 1 3 277.368 2.571 20 5 CFBDHO O=[N+]([O-])c1ccc(CNCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414837026 233372556 /nfs/dbraw/zinc/37/25/56/233372556.db2.gz JYTKXURDHHHOFU-NSHDSACASA-N 1 3 297.786 2.728 20 5 CFBDHO C[C@H]1C[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123737531 187106999 /nfs/dbraw/zinc/10/69/99/187106999.db2.gz DRXJWZCTNPVZAK-BBRMVZONSA-N 1 3 291.395 2.552 20 5 CFBDHO C[C@H]1C[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123737531 187107000 /nfs/dbraw/zinc/10/70/00/187107000.db2.gz DRXJWZCTNPVZAK-BBRMVZONSA-N 1 3 291.395 2.552 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423216478 238283697 /nfs/dbraw/zinc/28/36/97/238283697.db2.gz ONAZWIANODMFEY-UMVBOHGHSA-N 1 3 291.395 2.504 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000183279575 189353123 /nfs/dbraw/zinc/35/31/23/189353123.db2.gz VQKWUSYZDPAGPL-AWEZNQCLSA-N 1 3 291.395 2.677 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000183279575 189353124 /nfs/dbraw/zinc/35/31/24/189353124.db2.gz VQKWUSYZDPAGPL-AWEZNQCLSA-N 1 3 291.395 2.677 20 5 CFBDHO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000034995579 372527541 /nfs/dbraw/zinc/52/75/41/372527541.db2.gz WLVXYFWEXGMFAQ-UHFFFAOYSA-N 1 3 279.384 2.581 20 5 CFBDHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644168 372680616 /nfs/dbraw/zinc/68/06/16/372680616.db2.gz BXRCZWCDZJGMDY-CZUORRHYSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649075 372685391 /nfs/dbraw/zinc/68/53/91/372685391.db2.gz RLMAZQJYXUPRKH-QWHCGFSZSA-N 1 3 289.379 2.730 20 5 CFBDHO CCN1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776301 379937531 /nfs/dbraw/zinc/93/75/31/379937531.db2.gz LAGADGYPMJXLDN-CJNGLKHVSA-N 1 3 291.395 2.757 20 5 CFBDHO CCN1CC[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776301 379937533 /nfs/dbraw/zinc/93/75/33/379937533.db2.gz LAGADGYPMJXLDN-CJNGLKHVSA-N 1 3 291.395 2.757 20 5 CFBDHO C[C@H]([NH3+])C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000347183468 380990288 /nfs/dbraw/zinc/99/02/88/380990288.db2.gz XHBXSHCNBBNIBW-AGLBCWCQSA-N 1 3 289.379 2.667 20 5 CFBDHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181079 381568515 /nfs/dbraw/zinc/56/85/15/381568515.db2.gz MMLJJJYWOUBHIY-KBPBESRZSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181079 381568520 /nfs/dbraw/zinc/56/85/20/381568520.db2.gz MMLJJJYWOUBHIY-KBPBESRZSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414933560 381624734 /nfs/dbraw/zinc/62/47/34/381624734.db2.gz XAJPAJSCSNBKCV-VHDGCEQUSA-N 1 3 291.395 2.775 20 5 CFBDHO Cc1c([C@H](C)[NH2+]C[C@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000293282467 382063004 /nfs/dbraw/zinc/06/30/04/382063004.db2.gz CWDCFQCRMYEDRN-AAEUAGOBSA-N 1 3 279.384 2.752 20 5 CFBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000431039830 383625639 /nfs/dbraw/zinc/62/56/39/383625639.db2.gz YLVVFLHHLFPHFB-ZDUSSCGKSA-N 1 3 289.379 2.731 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423216474 279382314 /nfs/dbraw/zinc/38/23/14/279382314.db2.gz ONAZWIANODMFEY-IPYPFGDCSA-N 1 3 291.395 2.504 20 5 CFBDHO N[C@@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000565783501 290325387 /nfs/dbraw/zinc/32/53/87/290325387.db2.gz BAJWKSDWANSDSN-HUUCEWRRSA-N 1 3 291.395 2.777 20 5 CFBDHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332298320 295306487 /nfs/dbraw/zinc/30/64/87/295306487.db2.gz MRCZVQULAYPHIM-XJKCOSOUSA-N 1 3 289.379 2.832 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000582115268 325176901 /nfs/dbraw/zinc/17/69/01/325176901.db2.gz GUCKYNGRUCYFPA-DGCLKSJQSA-N 1 3 279.384 2.752 20 5 CFBDHO CCC[C@@H](NCC1=CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423348195 529006335 /nfs/dbraw/zinc/00/63/35/529006335.db2.gz SFJVTITWWSNYSL-MRXNPFEDSA-N 1 3 289.379 2.945 20 5 CFBDHO C[C@H](CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])N(C)C ZINC000895292254 618514810 /nfs/dbraw/zinc/51/48/10/618514810.db2.gz ALKHFBLGOQAYAZ-UONOGXRCSA-N 1 3 293.411 2.846 20 5 CFBDHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2ccccc2[N+](=O)[O-])C1 ZINC000925517275 618855781 /nfs/dbraw/zinc/85/57/81/618855781.db2.gz ZSKKSNXBHUGJMF-ZIAGYGMSSA-N 1 3 291.395 2.633 20 5 CFBDHO Cc1ccc(CNCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000841032788 631313890 /nfs/dbraw/zinc/31/38/90/631313890.db2.gz XWTWIQUCRYURLN-UHFFFAOYSA-N 1 3 299.374 2.694 20 5 CFBDHO CN(CCCCCCC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000842471680 631639154 /nfs/dbraw/zinc/63/91/54/631639154.db2.gz RQIYEJPILCISJH-UHFFFAOYSA-N 1 3 279.384 2.936 20 5 CFBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877073213 643135340 /nfs/dbraw/zinc/13/53/40/643135340.db2.gz FNXCLVYHILKGAC-GDBMZVCRSA-N 1 3 291.395 2.600 20 5 CFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N ZINC000423289319 529418117 /nfs/dbraw/zinc/41/81/17/529418117.db2.gz WTGZGPSYZJGRQL-LLVKDONJSA-N 1 3 297.424 2.792 20 5 CFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC[C@H](C)[NH3+] ZINC000423223088 529534224 /nfs/dbraw/zinc/53/42/24/529534224.db2.gz DTUUUTGYBJECHT-RYUDHWBXSA-N 1 3 297.424 2.792 20 5 CFBDHO CNCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414863065 529971711 /nfs/dbraw/zinc/97/17/11/529971711.db2.gz WRRXCPKJQMLDGR-HIFRSBDPSA-N 1 3 291.395 2.505 20 5 CFBDHO C[NH2+]CCCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414863065 529971713 /nfs/dbraw/zinc/97/17/13/529971713.db2.gz WRRXCPKJQMLDGR-HIFRSBDPSA-N 1 3 291.395 2.505 20 5 CFBDHO [NH3+]C[C@@H]1CCCC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414793845 233353843 /nfs/dbraw/zinc/35/38/43/233353843.db2.gz FDXKEALAZSWEQP-DNWYELSFSA-N 1 3 289.379 2.715 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCNC1 ZINC000414827329 233367863 /nfs/dbraw/zinc/36/78/63/233367863.db2.gz KJFPKPAAMDNOEN-KGLIPLIRSA-N 1 3 291.395 2.505 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000414827329 233367865 /nfs/dbraw/zinc/36/78/65/233367865.db2.gz KJFPKPAAMDNOEN-KGLIPLIRSA-N 1 3 291.395 2.505 20 5 CFBDHO C[N@@H+]1CC[C@H](NCCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598978464 350353377 /nfs/dbraw/zinc/35/33/77/350353377.db2.gz UHUHMTLPBGHLJH-AWEZNQCLSA-N 1 3 291.395 2.600 20 5 CFBDHO C[N@H+]1CC[C@H](NCCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598978464 350353379 /nfs/dbraw/zinc/35/33/79/350353379.db2.gz UHUHMTLPBGHLJH-AWEZNQCLSA-N 1 3 291.395 2.600 20 5 CFBDHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271813948 191342055 /nfs/dbraw/zinc/34/20/55/191342055.db2.gz BESRREJSRJJEAY-LBPRGKRZSA-N 1 3 275.352 2.507 20 5 CFBDHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271813948 191342057 /nfs/dbraw/zinc/34/20/57/191342057.db2.gz BESRREJSRJJEAY-LBPRGKRZSA-N 1 3 275.352 2.507 20 5 CFBDHO N[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000422778564 237195772 /nfs/dbraw/zinc/19/57/72/237195772.db2.gz ASMWFIKXXCVFNM-HOTGVXAUSA-N 1 3 297.358 2.872 20 5 CFBDHO Cc1ccc([C@H](C)[NH2+]CCCN(C)C)cc1[N+](=O)[O-] ZINC000020091859 372227998 /nfs/dbraw/zinc/22/79/98/372227998.db2.gz FPXCRIGWCSHYHE-LBPRGKRZSA-N 1 3 265.357 2.506 20 5 CFBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CC[NH3+])C1 ZINC000070169610 374134977 /nfs/dbraw/zinc/13/49/77/374134977.db2.gz OJFWLZPPMOBLJS-QWHCGFSZSA-N 1 3 277.368 2.717 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414954935 381646972 /nfs/dbraw/zinc/64/69/72/381646972.db2.gz SYIGFRJMAAOXCK-NFAWXSAZSA-N 1 3 291.395 2.646 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414954935 381646980 /nfs/dbraw/zinc/64/69/80/381646980.db2.gz SYIGFRJMAAOXCK-NFAWXSAZSA-N 1 3 291.395 2.646 20 5 CFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N ZINC000423289320 383056761 /nfs/dbraw/zinc/05/67/61/383056761.db2.gz WTGZGPSYZJGRQL-NSHDSACASA-N 1 3 297.424 2.792 20 5 CFBDHO CCCC[C@@H](C[NH3+])N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299969 528820244 /nfs/dbraw/zinc/82/02/44/528820244.db2.gz QPMDXWKUZIXPMC-JSGCOSHPSA-N 1 3 279.384 2.633 20 5 CFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](C)N(C)C ZINC000895292518 618514941 /nfs/dbraw/zinc/51/49/41/618514941.db2.gz CXNBLTOJWWELGH-QLKUMGTLSA-N 1 3 291.395 2.928 20 5 CFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CC[NH3+])CC1 ZINC000070183575 346907107 /nfs/dbraw/zinc/90/71/07/346907107.db2.gz CDVUBFUDKOVQBR-GFCCVEGCSA-N 1 3 277.368 2.717 20 5 CFBDHO CC[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591579270 349031629 /nfs/dbraw/zinc/03/16/29/349031629.db2.gz FMFNJARWDHPLTK-GJZGRUSLSA-N 1 3 289.379 2.778 20 5 CFBDHO Cc1ccc([C@@H](C)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591579299 349031767 /nfs/dbraw/zinc/03/17/67/349031767.db2.gz HXDNNVMPJJVUOF-IUODEOHRSA-N 1 3 289.379 2.696 20 5 CFBDHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170021 233185910 /nfs/dbraw/zinc/18/59/10/233185910.db2.gz BLPUCVHDNPXRRD-UONOGXRCSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170021 233185912 /nfs/dbraw/zinc/18/59/12/233185912.db2.gz BLPUCVHDNPXRRD-UONOGXRCSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020087912 372227289 /nfs/dbraw/zinc/22/72/89/372227289.db2.gz REENILFADMUNTC-GFCCVEGCSA-N 1 3 279.384 2.833 20 5 CFBDHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644167 372682120 /nfs/dbraw/zinc/68/21/20/372682120.db2.gz BXRCZWCDZJGMDY-CJNGLKHVSA-N 1 3 291.395 2.977 20 5 CFBDHO CC[NH2+]CC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000129864089 377484257 /nfs/dbraw/zinc/48/42/57/377484257.db2.gz LDAQZVFGDDTVMZ-ZDUSSCGKSA-N 1 3 291.395 2.977 20 5 CFBDHO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000293722773 382251628 /nfs/dbraw/zinc/25/16/28/382251628.db2.gz PRDTUXPHVMDSLP-YPMHNXCESA-N 1 3 279.384 2.752 20 5 CFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCC1 ZINC000449224145 394257887 /nfs/dbraw/zinc/25/78/87/394257887.db2.gz ZYQVYAFHJQYOBA-AWEZNQCLSA-N 1 3 291.395 2.601 20 5 CFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000449224145 394257890 /nfs/dbraw/zinc/25/78/90/394257890.db2.gz ZYQVYAFHJQYOBA-AWEZNQCLSA-N 1 3 291.395 2.601 20 5 CFBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226325117 287144976 /nfs/dbraw/zinc/14/49/76/287144976.db2.gz CKCNDLFOCSCTKZ-STQMWFEESA-N 1 3 277.368 2.717 20 5 CFBDHO Cc1c(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000925659468 618421892 /nfs/dbraw/zinc/42/18/92/618421892.db2.gz VAUHCRJETYFPKX-UONOGXRCSA-N 1 3 291.395 2.899 20 5 CFBDHO C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1[N+](=O)[O-] ZINC000902430070 621076772 /nfs/dbraw/zinc/07/67/72/621076772.db2.gz OAXLHTRSNKDHGR-VHDGCEQUSA-N 1 3 291.395 2.948 20 5 CFBDHO CC(C)(C[NH3+])C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000903789123 621442480 /nfs/dbraw/zinc/44/24/80/621442480.db2.gz OWTPOTAQIFQAKH-UHFFFAOYSA-N 1 3 291.395 2.792 20 5 CFBDHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000903975148 621493181 /nfs/dbraw/zinc/49/31/81/621493181.db2.gz YJBBNEJLDAPILM-GHMZBOCLSA-N 1 3 297.786 2.583 20 5 CFBDHO C[C@H](NCCCC[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030148 641561017 /nfs/dbraw/zinc/56/10/17/641561017.db2.gz ZWXWWRNWHCBWFE-NSHDSACASA-N 1 3 283.347 2.726 20 5 CFBDHO C[NH2+]C[C@@H](C)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000122235807 529986282 /nfs/dbraw/zinc/98/62/82/529986282.db2.gz JWDWFXVEWABCII-SNVBAGLBSA-N 1 3 288.351 2.719 20 5 CFBDHO C[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000404411545 348591355 /nfs/dbraw/zinc/59/13/55/348591355.db2.gz XWRFMUQMCUNIAL-XJKSGUPXSA-N 1 3 291.395 2.587 20 5 CFBDHO C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CCN ZINC000404411545 348591358 /nfs/dbraw/zinc/59/13/58/348591358.db2.gz XWRFMUQMCUNIAL-XJKSGUPXSA-N 1 3 291.395 2.587 20 5 CFBDHO C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CCN ZINC000404411545 348591359 /nfs/dbraw/zinc/59/13/59/348591359.db2.gz XWRFMUQMCUNIAL-XJKSGUPXSA-N 1 3 291.395 2.587 20 5 CFBDHO Cc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414792756 233353061 /nfs/dbraw/zinc/35/30/61/233353061.db2.gz CUDONAIGTPKWSS-ZIAGYGMSSA-N 1 3 277.368 2.510 20 5 CFBDHO Cc1c(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000598979178 350353066 /nfs/dbraw/zinc/35/30/66/350353066.db2.gz ZEOLHPTYPWTLBK-AWEZNQCLSA-N 1 3 291.395 2.866 20 5 CFBDHO Cc1cc(NCCCC[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC000122164838 187018834 /nfs/dbraw/zinc/01/88/34/187018834.db2.gz BHGCLGWFDAZGNW-UHFFFAOYSA-N 1 3 274.324 2.602 20 5 CFBDHO Cc1c([C@@H](C)[NH2+]CCCN(C)C)cccc1[N+](=O)[O-] ZINC000151931637 378374353 /nfs/dbraw/zinc/37/43/53/378374353.db2.gz HLUXYVQGNIAWEB-GFCCVEGCSA-N 1 3 265.357 2.506 20 5 CFBDHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332298308 378744312 /nfs/dbraw/zinc/74/43/12/378744312.db2.gz MRCZVQULAYPHIM-DVOMOZLQSA-N 1 3 289.379 2.832 20 5 CFBDHO O=[N+]([O-])c1cccc(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000278525616 194028046 /nfs/dbraw/zinc/02/80/46/194028046.db2.gz TULPNUKHMHXYRP-UHFFFAOYSA-N 1 3 289.379 2.559 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCNC[C@H]1C ZINC000414948404 381638037 /nfs/dbraw/zinc/63/80/37/381638037.db2.gz XZKJENZXVYEUOR-UMVBOHGHSA-N 1 3 291.395 2.504 20 5 CFBDHO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000293777017 382275798 /nfs/dbraw/zinc/27/57/98/382275798.db2.gz SYCSCLQUGHHEHW-WBMJQRKESA-N 1 3 291.395 2.760 20 5 CFBDHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423047049 383028775 /nfs/dbraw/zinc/02/87/75/383028775.db2.gz UOHXDLLIKHKGOZ-UWVGGRQHSA-N 1 3 285.775 2.506 20 5 CFBDHO O=[N+]([O-])c1ccccc1CNCCCCC[NH+]1CCCC1 ZINC000339498367 383217169 /nfs/dbraw/zinc/21/71/69/383217169.db2.gz LTGYIHFGZTULTQ-UHFFFAOYSA-N 1 3 291.395 2.951 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000249370158 131120796 /nfs/dbraw/zinc/12/07/96/131120796.db2.gz ADUDLOGLTKLQOT-ZIAGYGMSSA-N 1 3 291.395 2.896 20 5 CFBDHO C[NH+](C)C1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000421375935 394208593 /nfs/dbraw/zinc/20/85/93/394208593.db2.gz QSUVNJYSESCKMV-UHFFFAOYSA-N 1 3 295.358 2.696 20 5 CFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314656485 265172943 /nfs/dbraw/zinc/17/29/43/265172943.db2.gz BCEPCHSSILQAIF-YUELXQCFSA-N 1 3 289.379 2.587 20 5 CFBDHO CC(C)[NH2+]CCCN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000564823250 290236730 /nfs/dbraw/zinc/23/67/30/290236730.db2.gz XMWSFQXQQQRSDS-AWEZNQCLSA-N 1 3 293.411 2.894 20 5 CFBDHO CCN1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425964 521720596 /nfs/dbraw/zinc/72/05/96/521720596.db2.gz LAGADGYPMJXLDN-BBRMVZONSA-N 1 3 291.395 2.757 20 5 CFBDHO CCN1CC[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425964 521720597 /nfs/dbraw/zinc/72/05/97/521720597.db2.gz LAGADGYPMJXLDN-BBRMVZONSA-N 1 3 291.395 2.757 20 5 CFBDHO CCCC[C@@H](CN)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414815338 528818992 /nfs/dbraw/zinc/81/89/92/528818992.db2.gz PDALZFNPUDWSRA-ZDUSSCGKSA-N 1 3 265.357 2.510 20 5 CFBDHO CCC(N)(CC)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423291125 528949770 /nfs/dbraw/zinc/94/97/70/528949770.db2.gz GWZZQXVHKOSKFL-LBPRGKRZSA-N 1 3 279.384 2.633 20 5 CFBDHO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1CC[NH3+] ZINC000903978727 621494217 /nfs/dbraw/zinc/49/42/17/621494217.db2.gz VUMCCDZFFFWWQO-ZYHUDNBSSA-N 1 3 297.786 2.665 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCNCC1 ZINC000591278457 349006488 /nfs/dbraw/zinc/00/64/88/349006488.db2.gz DLXZKNKBVZPGON-ZFWWWQNUSA-N 1 3 291.395 2.648 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000591278457 349006490 /nfs/dbraw/zinc/00/64/90/349006490.db2.gz DLXZKNKBVZPGON-ZFWWWQNUSA-N 1 3 291.395 2.648 20 5 CFBDHO [NH3+]C[C@@H]1CCCC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414793847 233352908 /nfs/dbraw/zinc/35/29/08/233352908.db2.gz FDXKEALAZSWEQP-QKNOVVFDSA-N 1 3 289.379 2.715 20 5 CFBDHO C[N@@H+]1CC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598962732 350349545 /nfs/dbraw/zinc/34/95/45/350349545.db2.gz IQSZMKXXAHOXNH-CQSZACIVSA-N 1 3 291.395 2.600 20 5 CFBDHO C[N@H+]1CC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598962732 350349548 /nfs/dbraw/zinc/34/95/48/350349548.db2.gz IQSZMKXXAHOXNH-CQSZACIVSA-N 1 3 291.395 2.600 20 5 CFBDHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070035 350370229 /nfs/dbraw/zinc/37/02/29/350370229.db2.gz JOZKRORIJBJQFN-UONOGXRCSA-N 1 3 291.395 2.977 20 5 CFBDHO N[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000422778563 237196825 /nfs/dbraw/zinc/19/68/25/237196825.db2.gz ASMWFIKXXCVFNM-CVEARBPZSA-N 1 3 297.358 2.872 20 5 CFBDHO C[N@@H+]1CCC[C@@H](CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459734910 245293207 /nfs/dbraw/zinc/29/32/07/245293207.db2.gz OWHCCNVVRBBDEK-LBPRGKRZSA-N 1 3 295.358 2.555 20 5 CFBDHO C[N@H+]1CCC[C@@H](CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459734910 245293213 /nfs/dbraw/zinc/29/32/13/245293213.db2.gz OWHCCNVVRBBDEK-LBPRGKRZSA-N 1 3 295.358 2.555 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000037644300 372681504 /nfs/dbraw/zinc/68/15/04/372681504.db2.gz UAIZWNOYVZCUQP-STQMWFEESA-N 1 3 277.368 2.587 20 5 CFBDHO C[NH+](C)CCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000045663878 373026915 /nfs/dbraw/zinc/02/69/15/373026915.db2.gz NYEFIQKGHVDNJN-UHFFFAOYSA-N 1 3 285.775 2.680 20 5 CFBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169444 374134994 /nfs/dbraw/zinc/13/49/94/374134994.db2.gz CKCNDLFOCSCTKZ-QWHCGFSZSA-N 1 3 277.368 2.717 20 5 CFBDHO [NH3+][C@@H]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414995494 381686773 /nfs/dbraw/zinc/68/67/73/381686773.db2.gz FTPBRWHZEWHHMY-ZYHUDNBSSA-N 1 3 297.786 2.855 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCNC1CC1 ZINC000415066469 381751987 /nfs/dbraw/zinc/75/19/87/381751987.db2.gz ITQSVBAAXVNXPC-CYBMUJFWSA-N 1 3 291.395 2.648 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC000415066469 381751993 /nfs/dbraw/zinc/75/19/93/381751993.db2.gz ITQSVBAAXVNXPC-CYBMUJFWSA-N 1 3 291.395 2.648 20 5 CFBDHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000577650211 382866650 /nfs/dbraw/zinc/86/66/50/382866650.db2.gz IDSFFUZRYOPVBU-QWHCGFSZSA-N 1 3 297.786 2.650 20 5 CFBDHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000577650211 382866651 /nfs/dbraw/zinc/86/66/51/382866651.db2.gz IDSFFUZRYOPVBU-QWHCGFSZSA-N 1 3 297.786 2.650 20 5 CFBDHO CCCC[C@H](C[NH3+])N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299971 383056898 /nfs/dbraw/zinc/05/68/98/383056898.db2.gz QPMDXWKUZIXPMC-TZMCWYRMSA-N 1 3 279.384 2.633 20 5 CFBDHO Cc1c([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000423363781 383065095 /nfs/dbraw/zinc/06/50/95/383065095.db2.gz AKRHOXPSZPHHIJ-RWMBFGLXSA-N 1 3 277.368 2.824 20 5 CFBDHO CC(C)[N@H+](C)CCCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449072694 383162234 /nfs/dbraw/zinc/16/22/34/383162234.db2.gz KVNREPHPBFOTOE-AWEZNQCLSA-N 1 3 293.411 2.846 20 5 CFBDHO CC(C)[N@@H+](C)CCCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449072694 383162235 /nfs/dbraw/zinc/16/22/35/383162235.db2.gz KVNREPHPBFOTOE-AWEZNQCLSA-N 1 3 293.411 2.846 20 5 CFBDHO CC(C)N(C)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449072694 383162237 /nfs/dbraw/zinc/16/22/37/383162237.db2.gz KVNREPHPBFOTOE-AWEZNQCLSA-N 1 3 293.411 2.846 20 5 CFBDHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc([N+](=O)[O-])c1 ZINC000424378130 270333356 /nfs/dbraw/zinc/33/33/56/270333356.db2.gz SEXYNLAIOUYIAN-QLFBSQMISA-N 1 3 277.368 2.905 20 5 CFBDHO C[C@H](CCCC[NH3+])N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000423016571 279255054 /nfs/dbraw/zinc/25/50/54/279255054.db2.gz MYALXPQGSSRLGQ-VXGBXAGGSA-N 1 3 265.357 2.763 20 5 CFBDHO CCCC[C@H](C[NH3+])N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299968 528953966 /nfs/dbraw/zinc/95/39/66/528953966.db2.gz QPMDXWKUZIXPMC-GXTWGEPZSA-N 1 3 279.384 2.633 20 5 CFBDHO C[N@@H+]1CCC[C@H](CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459734907 536384664 /nfs/dbraw/zinc/38/46/64/536384664.db2.gz OWHCCNVVRBBDEK-GFCCVEGCSA-N 1 3 295.358 2.555 20 5 CFBDHO C[N@H+]1CCC[C@H](CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459734907 536384667 /nfs/dbraw/zinc/38/46/67/536384667.db2.gz OWHCCNVVRBBDEK-GFCCVEGCSA-N 1 3 295.358 2.555 20 5 CFBDHO Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414792754 233353937 /nfs/dbraw/zinc/35/39/37/233353937.db2.gz CUDONAIGTPKWSS-KGLIPLIRSA-N 1 3 277.368 2.510 20 5 CFBDHO Cc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414792753 233353987 /nfs/dbraw/zinc/35/39/87/233353987.db2.gz CUDONAIGTPKWSS-KBPBESRZSA-N 1 3 277.368 2.510 20 5 CFBDHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644166 372680589 /nfs/dbraw/zinc/68/05/89/372680589.db2.gz BXRCZWCDZJGMDY-XJKSGUPXSA-N 1 3 291.395 2.977 20 5 CFBDHO C[NH2+]CC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000063158888 373789285 /nfs/dbraw/zinc/78/92/85/373789285.db2.gz YHNWWSHGKNKAFF-LBPRGKRZSA-N 1 3 277.368 2.587 20 5 CFBDHO O=[N+]([O-])c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197927 373795033 /nfs/dbraw/zinc/79/50/33/373795033.db2.gz RXFGMESGBHXEDW-INIZCTEOSA-N 1 3 289.379 2.559 20 5 CFBDHO Cc1ccc([C@H](C)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344293789 382256734 /nfs/dbraw/zinc/25/67/34/382256734.db2.gz RBTXMDUEIUPCBL-ZDUSSCGKSA-N 1 3 289.379 2.816 20 5 CFBDHO Cc1ccc([C@H](C)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344293789 382256736 /nfs/dbraw/zinc/25/67/36/382256736.db2.gz RBTXMDUEIUPCBL-ZDUSSCGKSA-N 1 3 289.379 2.816 20 5 CFBDHO O=[N+]([O-])c1ccccc1CN(CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420356250 382380873 /nfs/dbraw/zinc/38/08/73/382380873.db2.gz GJMKDQXMKSBTTO-ZDUSSCGKSA-N 1 3 289.379 2.559 20 5 CFBDHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000577650209 382866566 /nfs/dbraw/zinc/86/65/66/382866566.db2.gz IDSFFUZRYOPVBU-CHWSQXEVSA-N 1 3 297.786 2.650 20 5 CFBDHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000577650209 382866567 /nfs/dbraw/zinc/86/65/67/382866567.db2.gz IDSFFUZRYOPVBU-CHWSQXEVSA-N 1 3 297.786 2.650 20 5 CFBDHO CCCC[C@H](CN)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423304984 394277128 /nfs/dbraw/zinc/27/71/28/394277128.db2.gz ZUXHKFUKEHVJPB-DGCLKSJQSA-N 1 3 265.357 2.763 20 5 CFBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314656478 265174252 /nfs/dbraw/zinc/17/42/52/265174252.db2.gz BCEPCHSSILQAIF-AEGPPILISA-N 1 3 289.379 2.587 20 5 CFBDHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648976 278354750 /nfs/dbraw/zinc/35/47/50/278354750.db2.gz WGFMZHYTQZWONB-CHWSQXEVSA-N 1 3 289.379 2.730 20 5 CFBDHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423278259 290004892 /nfs/dbraw/zinc/00/48/92/290004892.db2.gz QLMXTPVBZKMMTA-NJZAAPMLSA-N 1 3 277.368 2.763 20 5 CFBDHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000570162290 322516981 /nfs/dbraw/zinc/51/69/81/322516981.db2.gz JDAMWKCGZLZBPS-LBPRGKRZSA-N 1 3 285.347 2.904 20 5 CFBDHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000902432115 621077598 /nfs/dbraw/zinc/07/75/98/621077598.db2.gz VDSJXHZAXDSBOS-UMVBOHGHSA-N 1 3 291.395 2.805 20 5 CFBDHO CC(C)[C@H]([NH3+])CCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000596101325 349794768 /nfs/dbraw/zinc/79/47/68/349794768.db2.gz FVELCTHEIHBPDM-BRLPQQTGSA-N 1 3 277.368 2.571 20 5 CFBDHO CC[C@H](NCC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271818876 191346765 /nfs/dbraw/zinc/34/67/65/191346765.db2.gz BWVIYMZICNSBJB-INIZCTEOSA-N 1 3 289.379 2.897 20 5 CFBDHO CC[C@H](NCC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271818876 191346768 /nfs/dbraw/zinc/34/67/68/191346768.db2.gz BWVIYMZICNSBJB-INIZCTEOSA-N 1 3 289.379 2.897 20 5 CFBDHO N[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000422778565 237194878 /nfs/dbraw/zinc/19/48/78/237194878.db2.gz ASMWFIKXXCVFNM-HZPDHXFCSA-N 1 3 297.358 2.872 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423274077 238330322 /nfs/dbraw/zinc/33/03/22/238330322.db2.gz JSZNMESEKZCLBB-BPLDGKMQSA-N 1 3 291.395 2.633 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423274077 238330325 /nfs/dbraw/zinc/33/03/25/238330325.db2.gz JSZNMESEKZCLBB-BPLDGKMQSA-N 1 3 291.395 2.633 20 5 CFBDHO Cc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000034996610 372527746 /nfs/dbraw/zinc/52/77/46/372527746.db2.gz UESMXSXZFDRBED-UHFFFAOYSA-N 1 3 291.395 2.866 20 5 CFBDHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649074 372684869 /nfs/dbraw/zinc/68/48/69/372684869.db2.gz RLMAZQJYXUPRKH-OLZOCXBDSA-N 1 3 289.379 2.730 20 5 CFBDHO O=[N+]([O-])c1ccccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197932 373794309 /nfs/dbraw/zinc/79/43/09/373794309.db2.gz CQRMMPXAEUINOB-OAHLLOKOSA-N 1 3 289.379 2.559 20 5 CFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CC[NH3+])C1 ZINC000070169611 374135083 /nfs/dbraw/zinc/13/50/83/374135083.db2.gz OJFWLZPPMOBLJS-CHWSQXEVSA-N 1 3 277.368 2.717 20 5 CFBDHO Cc1c(C[N@@H+](C)C[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000118842802 376319524 /nfs/dbraw/zinc/31/95/24/376319524.db2.gz APRBRPUQRMJUGH-AWEZNQCLSA-N 1 3 291.395 2.677 20 5 CFBDHO Cc1c(C[N@H+](C)C[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000118842802 376319528 /nfs/dbraw/zinc/31/95/28/376319528.db2.gz APRBRPUQRMJUGH-AWEZNQCLSA-N 1 3 291.395 2.677 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414954933 381646760 /nfs/dbraw/zinc/64/67/60/381646760.db2.gz SYIGFRJMAAOXCK-GUTXKFCHSA-N 1 3 291.395 2.646 20 5 CFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414954933 381646768 /nfs/dbraw/zinc/64/67/68/381646768.db2.gz SYIGFRJMAAOXCK-GUTXKFCHSA-N 1 3 291.395 2.646 20 5 CFBDHO Cc1c([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000293282471 382062549 /nfs/dbraw/zinc/06/25/49/382062549.db2.gz CWDCFQCRMYEDRN-DGCLKSJQSA-N 1 3 279.384 2.752 20 5 CFBDHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422942447 532994967 /nfs/dbraw/zinc/99/49/67/532994967.db2.gz KFLFBDYXDBXROB-DYVFJYSZSA-N 1 3 299.374 2.643 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424367399 393840443 /nfs/dbraw/zinc/84/04/43/393840443.db2.gz LXCXTWRVVMYJHA-BPLDGKMQSA-N 1 3 291.395 2.775 20 5 CFBDHO CCCC[C@@H](CN)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423304986 394277093 /nfs/dbraw/zinc/27/70/93/394277093.db2.gz ZUXHKFUKEHVJPB-YPMHNXCESA-N 1 3 265.357 2.763 20 5 CFBDHO CC[NH+](CC)CCCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223717 276325696 /nfs/dbraw/zinc/32/56/96/276325696.db2.gz YQBAMDNWNIHGRW-AWEZNQCLSA-N 1 3 293.411 2.847 20 5 CFBDHO CCN(CC)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223717 276325697 /nfs/dbraw/zinc/32/56/97/276325697.db2.gz YQBAMDNWNIHGRW-AWEZNQCLSA-N 1 3 293.411 2.847 20 5 CFBDHO C[C@H](C[NH3+])CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423308909 298530068 /nfs/dbraw/zinc/53/00/68/298530068.db2.gz PFIMICFQZWZIFM-YGRLFVJLSA-N 1 3 277.368 2.502 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000163262073 322374530 /nfs/dbraw/zinc/37/45/30/322374530.db2.gz WIFGKLLJUUZTRC-KBPBESRZSA-N 1 3 291.395 2.896 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000582115270 325177095 /nfs/dbraw/zinc/17/70/95/325177095.db2.gz GUCKYNGRUCYFPA-YPMHNXCESA-N 1 3 279.384 2.752 20 5 CFBDHO CCCN1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000049555396 519846766 /nfs/dbraw/zinc/84/67/66/519846766.db2.gz VAOTUSAPGLEOOS-UHFFFAOYSA-N 1 3 291.395 2.867 20 5 CFBDHO CC(C)C[C@@H](CN)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423256540 528309908 /nfs/dbraw/zinc/30/99/08/528309908.db2.gz BYEPKTOUDFKTPV-YPMHNXCESA-N 1 3 265.357 2.619 20 5 CFBDHO CCCC[C@@H](CN)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423304983 528822080 /nfs/dbraw/zinc/82/20/80/528822080.db2.gz ZUXHKFUKEHVJPB-AAEUAGOBSA-N 1 3 265.357 2.763 20 5 CFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)N(C)C ZINC000895292520 618514976 /nfs/dbraw/zinc/51/49/76/618514976.db2.gz CXNBLTOJWWELGH-ZVHGMHCTSA-N 1 3 291.395 2.928 20 5 CFBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CC[NH3+])CC1 ZINC000070183574 346907056 /nfs/dbraw/zinc/90/70/56/346907056.db2.gz CDVUBFUDKOVQBR-LBPRGKRZSA-N 1 3 277.368 2.717 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000295066095 199327403 /nfs/dbraw/zinc/32/74/03/199327403.db2.gz QOOGBFVLTASEOO-GOOCMWNKSA-N 1 3 289.379 2.618 20 5 CFBDHO CC[NH2+]CCCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591577176 349030649 /nfs/dbraw/zinc/03/06/49/349030649.db2.gz WFHWCRWBOVWNMA-OAHLLOKOSA-N 1 3 291.395 2.505 20 5 CFBDHO CC[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591579269 349031625 /nfs/dbraw/zinc/03/16/25/349031625.db2.gz FMFNJARWDHPLTK-CABCVRRESA-N 1 3 289.379 2.778 20 5 CFBDHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414826177 233368158 /nfs/dbraw/zinc/36/81/58/233368158.db2.gz VCFMZTKNRVGAJP-YDHLFZDLSA-N 1 3 291.395 2.633 20 5 CFBDHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000423016567 296145652 /nfs/dbraw/zinc/14/56/52/296145652.db2.gz MYALXPQGSSRLGQ-NWDGAFQWSA-N 1 3 265.357 2.763 20 5 CFBDHO Cc1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459733064 245289670 /nfs/dbraw/zinc/28/96/70/245289670.db2.gz NBUTZTPCSPBULY-CQSZACIVSA-N 1 3 291.395 2.725 20 5 CFBDHO Cc1ccc(CNCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459733064 245289675 /nfs/dbraw/zinc/28/96/75/245289675.db2.gz NBUTZTPCSPBULY-CQSZACIVSA-N 1 3 291.395 2.725 20 5 CFBDHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644165 372681173 /nfs/dbraw/zinc/68/11/73/372681173.db2.gz BXRCZWCDZJGMDY-BBRMVZONSA-N 1 3 291.395 2.977 20 5 CFBDHO CCN1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776310 379937993 /nfs/dbraw/zinc/93/79/93/379937993.db2.gz LAGADGYPMJXLDN-CZUORRHYSA-N 1 3 291.395 2.757 20 5 CFBDHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776310 379937996 /nfs/dbraw/zinc/93/79/96/379937996.db2.gz LAGADGYPMJXLDN-CZUORRHYSA-N 1 3 291.395 2.757 20 5 CFBDHO C[C@H]([NH3+])C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000347183469 380990310 /nfs/dbraw/zinc/99/03/10/380990310.db2.gz XHBXSHCNBBNIBW-BPJJOFIESA-N 1 3 289.379 2.667 20 5 CFBDHO [NH3+]C[C@H]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000415025314 381718520 /nfs/dbraw/zinc/71/85/20/381718520.db2.gz PSEMTEVKWPTZFS-HAQNSBGRSA-N 1 3 295.358 2.589 20 5 CFBDHO C[NH2+]CCC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000346653873 382457302 /nfs/dbraw/zinc/45/73/02/382457302.db2.gz QQYXDULBUAAMFO-UHFFFAOYSA-N 1 3 291.395 2.725 20 5 CFBDHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423037372 383023392 /nfs/dbraw/zinc/02/33/92/383023392.db2.gz BHDDTCKLOMAJKR-DGCLKSJQSA-N 1 3 297.786 2.508 20 5 CFBDHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423037372 383023398 /nfs/dbraw/zinc/02/33/98/383023398.db2.gz BHDDTCKLOMAJKR-DGCLKSJQSA-N 1 3 297.786 2.508 20 5 CFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C[NH+](C)C)CC1 ZINC000488396301 383529175 /nfs/dbraw/zinc/52/91/75/383529175.db2.gz JJTOIQFJEODVJW-CYBMUJFWSA-N 1 3 291.395 2.929 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249376482 131120668 /nfs/dbraw/zinc/12/06/68/131120668.db2.gz KKBHGOHJJUPVDV-CHWSQXEVSA-N 1 3 277.368 2.587 20 5 CFBDHO [NH3+]CC[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000442920085 534653322 /nfs/dbraw/zinc/65/33/22/534653322.db2.gz GJPDKECVIVANKO-HJHHMULASA-N 1 3 289.379 2.669 20 5 CFBDHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553703 525595152 /nfs/dbraw/zinc/59/51/52/525595152.db2.gz MHQWFQVFEKAPSS-NWDGAFQWSA-N 1 3 265.357 2.586 20 5 CFBDHO CN(C)CC(C)(C)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000898308077 620370261 /nfs/dbraw/zinc/37/02/61/620370261.db2.gz NDGRSXUMPBTCEP-UHFFFAOYSA-N 1 3 293.411 2.657 20 5 CFBDHO CN(C)CC(C)(C)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000898308077 620370263 /nfs/dbraw/zinc/37/02/63/620370263.db2.gz NDGRSXUMPBTCEP-UHFFFAOYSA-N 1 3 293.411 2.657 20 5 CFBDHO C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1[N+](=O)[O-] ZINC000902430069 621076718 /nfs/dbraw/zinc/07/67/18/621076718.db2.gz OAXLHTRSNKDHGR-SNPRPXQTSA-N 1 3 291.395 2.948 20 5 CFBDHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594513029 349436728 /nfs/dbraw/zinc/43/67/28/349436728.db2.gz KHPNURJHEGTABB-GSJFWJNXSA-N 1 3 297.786 2.678 20 5 CFBDHO C[NH2+]Cc1ccccc1CNCc1ccc([N+](=O)[O-])cc1C ZINC000593318038 349246749 /nfs/dbraw/zinc/24/67/49/349246749.db2.gz NNFPDQZJRPLUAT-UHFFFAOYSA-N 1 3 299.374 2.912 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCNC1 ZINC000414827333 233368194 /nfs/dbraw/zinc/36/81/94/233368194.db2.gz KJFPKPAAMDNOEN-ZIAGYGMSSA-N 1 3 291.395 2.505 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000414827333 233368197 /nfs/dbraw/zinc/36/81/97/233368197.db2.gz KJFPKPAAMDNOEN-ZIAGYGMSSA-N 1 3 291.395 2.505 20 5 CFBDHO C[N@@H+]1CC[C@H](NCCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598962731 350349878 /nfs/dbraw/zinc/34/98/78/350349878.db2.gz IQSZMKXXAHOXNH-AWEZNQCLSA-N 1 3 291.395 2.600 20 5 CFBDHO C[N@H+]1CC[C@H](NCCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598962731 350349880 /nfs/dbraw/zinc/34/98/80/350349880.db2.gz IQSZMKXXAHOXNH-AWEZNQCLSA-N 1 3 291.395 2.600 20 5 CFBDHO C[NH+]1CCC2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000602876060 351054943 /nfs/dbraw/zinc/05/49/43/351054943.db2.gz CPMPIVRQNJDIGM-UHFFFAOYSA-N 1 3 289.379 2.513 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000037644207 372682566 /nfs/dbraw/zinc/68/25/66/372682566.db2.gz KKBHGOHJJUPVDV-QWHCGFSZSA-N 1 3 277.368 2.587 20 5 CFBDHO C[C@H](CCCC[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000415020863 381715310 /nfs/dbraw/zinc/71/53/10/381715310.db2.gz XXUUGAJPTOFWRH-SNVBAGLBSA-N 1 3 285.775 2.855 20 5 CFBDHO Cc1c(C[NH2+]C2CCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000231883946 382867523 /nfs/dbraw/zinc/86/75/23/382867523.db2.gz CJPJEDSLTDPBMA-UHFFFAOYSA-N 1 3 291.395 2.866 20 5 CFBDHO CC[NH2+]CCCN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000578756791 382951144 /nfs/dbraw/zinc/95/11/44/382951144.db2.gz PXLROJQJFRRDMA-CYBMUJFWSA-N 1 3 279.384 2.505 20 5 CFBDHO C[C@@H](N)C[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422916230 532965095 /nfs/dbraw/zinc/96/50/95/532965095.db2.gz CXFRIXISEYZQOA-OLZOCXBDSA-N 1 3 279.384 2.633 20 5 CFBDHO Cc1c([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000423363784 383065090 /nfs/dbraw/zinc/06/50/90/383065090.db2.gz AKRHOXPSZPHHIJ-YNEHKIRRSA-N 1 3 277.368 2.824 20 5 CFBDHO CC(C)[N@H+](C)CCCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449072695 383161666 /nfs/dbraw/zinc/16/16/66/383161666.db2.gz KVNREPHPBFOTOE-CQSZACIVSA-N 1 3 293.411 2.846 20 5 CFBDHO CC(C)[N@@H+](C)CCCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449072695 383161669 /nfs/dbraw/zinc/16/16/69/383161669.db2.gz KVNREPHPBFOTOE-CQSZACIVSA-N 1 3 293.411 2.846 20 5 CFBDHO CC(C)N(C)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449072695 383161677 /nfs/dbraw/zinc/16/16/77/383161677.db2.gz KVNREPHPBFOTOE-CQSZACIVSA-N 1 3 293.411 2.846 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532474888 384033522 /nfs/dbraw/zinc/03/35/22/384033522.db2.gz WIFGKLLJUUZTRC-KGLIPLIRSA-N 1 3 291.395 2.896 20 5 CFBDHO CC(C)([NH3+])CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414808842 393805930 /nfs/dbraw/zinc/80/59/30/393805930.db2.gz UKBYYCGQQTWFRQ-OCCSQVGLSA-N 1 3 291.395 2.633 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000540607347 394649786 /nfs/dbraw/zinc/64/97/86/394649786.db2.gz PXIWAGONVRAWJZ-CYBMUJFWSA-N 1 3 289.379 2.816 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000540607347 394649789 /nfs/dbraw/zinc/64/97/89/394649789.db2.gz PXIWAGONVRAWJZ-CYBMUJFWSA-N 1 3 289.379 2.816 20 5 CFBDHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000044515215 175189973 /nfs/dbraw/zinc/18/99/73/175189973.db2.gz CVRAZZLIKRDKOT-GFCCVEGCSA-N 1 3 277.368 2.587 20 5 CFBDHO CC(C)c1ccc(CN2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000346664981 278035665 /nfs/dbraw/zinc/03/56/65/278035665.db2.gz PGRMPDZFNAHNAT-UHFFFAOYSA-N 1 3 291.395 2.889 20 5 CFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C[NH3+])C1CCCC1 ZINC000423515947 278298878 /nfs/dbraw/zinc/29/88/78/278298878.db2.gz XRDGWIFGGYHBPJ-SWLSCSKDSA-N 1 3 291.395 2.633 20 5 CFBDHO CC(C)c1ccc(C[NH2+][C@@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000414811017 528100237 /nfs/dbraw/zinc/10/02/37/528100237.db2.gz VWVDSPPIJVCVNQ-AWEZNQCLSA-N 1 3 277.368 2.545 20 5 CFBDHO CCCC[C@@H](CN)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414808735 528818723 /nfs/dbraw/zinc/81/87/23/528818723.db2.gz FTJAEZJOPXQXGT-ZDUSSCGKSA-N 1 3 265.357 2.510 20 5 CFBDHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000817946911 632749339 /nfs/dbraw/zinc/74/93/39/632749339.db2.gz HSRMMYLQQZRNOZ-CYBMUJFWSA-N 1 3 299.374 2.947 20 5 CFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H](C)C[NH3+] ZINC000423311193 529534465 /nfs/dbraw/zinc/53/44/65/529534465.db2.gz SVTQZWLBAOHAAE-RYUDHWBXSA-N 1 3 297.424 2.650 20 5 CFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CN ZINC000423311193 529534466 /nfs/dbraw/zinc/53/44/66/529534466.db2.gz SVTQZWLBAOHAAE-RYUDHWBXSA-N 1 3 297.424 2.650 20 5 CFBDHO C[C@@H]1C[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123736837 187106657 /nfs/dbraw/zinc/10/66/57/187106657.db2.gz DRXJWZCTNPVZAK-CZUORRHYSA-N 1 3 291.395 2.552 20 5 CFBDHO C[C@@H]1C[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123736837 187106658 /nfs/dbraw/zinc/10/66/58/187106658.db2.gz DRXJWZCTNPVZAK-CZUORRHYSA-N 1 3 291.395 2.552 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000037644299 372680322 /nfs/dbraw/zinc/68/03/22/372680322.db2.gz UAIZWNOYVZCUQP-QWHCGFSZSA-N 1 3 277.368 2.587 20 5 CFBDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644219 372682430 /nfs/dbraw/zinc/68/24/30/372682430.db2.gz ADUDLOGLTKLQOT-UONOGXRCSA-N 1 3 291.395 2.896 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN(C)C ZINC000151931386 378374259 /nfs/dbraw/zinc/37/42/59/378374259.db2.gz BJXAMMRHZVWLNJ-LBPRGKRZSA-N 1 3 265.357 2.506 20 5 CFBDHO C[NH2+]CC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000347059425 380913520 /nfs/dbraw/zinc/91/35/20/380913520.db2.gz WYRAACJSSZLSIT-GQCTYLIASA-N 1 3 289.379 2.539 20 5 CFBDHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361099 382093563 /nfs/dbraw/zinc/09/35/63/382093563.db2.gz HKECBIQTIXBIFR-IUODEOHRSA-N 1 3 279.384 2.833 20 5 CFBDHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422915028 382988501 /nfs/dbraw/zinc/98/85/01/382988501.db2.gz AKXMFHOWFWTCFG-ZBFHGGJFSA-N 1 3 291.395 2.635 20 5 CFBDHO Cc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423393630 383079380 /nfs/dbraw/zinc/07/93/80/383079380.db2.gz QSZOVAOVPZXWLA-UBHSHLNASA-N 1 3 277.368 2.824 20 5 CFBDHO CC[C@@H](N)C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423458773 383103037 /nfs/dbraw/zinc/10/30/37/383103037.db2.gz HGPPUPOZHVDLBC-NEPJUHHUSA-N 1 3 297.424 2.792 20 5 CFBDHO C[NH+](C)C1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000421376674 394208125 /nfs/dbraw/zinc/20/81/25/394208125.db2.gz RZAKZBSURWQHQR-UHFFFAOYSA-N 1 3 283.397 2.619 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCC1 ZINC000449224146 394257549 /nfs/dbraw/zinc/25/75/49/394257549.db2.gz ZYQVYAFHJQYOBA-CQSZACIVSA-N 1 3 291.395 2.601 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000449224146 394257553 /nfs/dbraw/zinc/25/75/53/394257553.db2.gz ZYQVYAFHJQYOBA-CQSZACIVSA-N 1 3 291.395 2.601 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000540607356 394649934 /nfs/dbraw/zinc/64/99/34/394649934.db2.gz PXIWAGONVRAWJZ-ZDUSSCGKSA-N 1 3 289.379 2.816 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000540607356 394649936 /nfs/dbraw/zinc/64/99/36/394649936.db2.gz PXIWAGONVRAWJZ-ZDUSSCGKSA-N 1 3 289.379 2.816 20 5 CFBDHO C[C@H](CCCC[NH3+])N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000423016566 298391752 /nfs/dbraw/zinc/39/17/52/298391752.db2.gz MYALXPQGSSRLGQ-NEPJUHHUSA-N 1 3 265.357 2.763 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@]1(C)CCC[NH2+]C1 ZINC000423348124 279382139 /nfs/dbraw/zinc/38/21/39/279382139.db2.gz SQCKOKIKPICNOT-CJNGLKHVSA-N 1 3 291.395 2.505 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCNC1 ZINC000423348124 279382140 /nfs/dbraw/zinc/38/21/40/279382140.db2.gz SQCKOKIKPICNOT-CJNGLKHVSA-N 1 3 291.395 2.505 20 5 CFBDHO N[C@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000565783502 290325341 /nfs/dbraw/zinc/32/53/41/290325341.db2.gz BAJWKSDWANSDSN-LSDHHAIUSA-N 1 3 291.395 2.777 20 5 CFBDHO O=[N+]([O-])c1ccc(Cl)c(CNCCC[C@H]2CCC[NH2+]2)c1 ZINC000841072079 620806115 /nfs/dbraw/zinc/80/61/15/620806115.db2.gz FTZCQLLMNJDDIK-LBPRGKRZSA-N 1 3 297.786 2.870 20 5 CFBDHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000902432113 621077867 /nfs/dbraw/zinc/07/78/67/621077867.db2.gz VDSJXHZAXDSBOS-IPYPFGDCSA-N 1 3 291.395 2.805 20 5 CFBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000873048311 641994806 /nfs/dbraw/zinc/99/48/06/641994806.db2.gz WHOPVLLICIEHSY-CQSZACIVSA-N 1 3 291.395 2.643 20 5 CFBDHO CC(C)([NH3+])CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925742281 648306594 /nfs/dbraw/zinc/30/65/94/648306594.db2.gz RSHRVXHHUHUCDG-CQSZACIVSA-N 1 3 291.395 2.633 20 5 CFBDHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596111678 349797457 /nfs/dbraw/zinc/79/74/57/349797457.db2.gz ZZQOFZGYLYCYGH-DZGCQCFKSA-N 1 3 293.411 2.879 20 5 CFBDHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596111678 349797460 /nfs/dbraw/zinc/79/74/60/349797460.db2.gz ZZQOFZGYLYCYGH-DZGCQCFKSA-N 1 3 293.411 2.879 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593316199 349246473 /nfs/dbraw/zinc/24/64/73/349246473.db2.gz NAZWLHFJPQLPKE-WBMJQRKESA-N 1 3 291.395 2.853 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414794473 233353640 /nfs/dbraw/zinc/35/36/40/233353640.db2.gz FRZQUANUPMYPGE-SWLSCSKDSA-N 1 3 277.368 2.510 20 5 CFBDHO C[NH+]1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602875938 351054746 /nfs/dbraw/zinc/05/47/46/351054746.db2.gz BVYLXHHRRYBIKN-UHFFFAOYSA-N 1 3 289.379 2.513 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CN(C)CC1CC[NH+](C)CC1 ZINC000183329675 189355080 /nfs/dbraw/zinc/35/50/80/189355080.db2.gz HSTAMTLCXKWMOF-UHFFFAOYSA-N 1 3 291.395 2.677 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1CCN(C)CC1 ZINC000183329675 189355081 /nfs/dbraw/zinc/35/50/81/189355081.db2.gz HSTAMTLCXKWMOF-UHFFFAOYSA-N 1 3 291.395 2.677 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1CCN(C)CC1 ZINC000183329675 189355082 /nfs/dbraw/zinc/35/50/82/189355082.db2.gz HSTAMTLCXKWMOF-UHFFFAOYSA-N 1 3 291.395 2.677 20 5 CFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000431039829 239841287 /nfs/dbraw/zinc/84/12/87/239841287.db2.gz YLVVFLHHLFPHFB-CYBMUJFWSA-N 1 3 289.379 2.731 20 5 CFBDHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423278260 299417923 /nfs/dbraw/zinc/41/79/23/299417923.db2.gz QLMXTPVBZKMMTA-WHOFXGATSA-N 1 3 277.368 2.763 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459729067 245287490 /nfs/dbraw/zinc/28/74/90/245287490.db2.gz DFYQDORMSYZQNV-AWEZNQCLSA-N 1 3 291.395 2.725 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459729067 245287495 /nfs/dbraw/zinc/28/74/95/245287495.db2.gz DFYQDORMSYZQNV-AWEZNQCLSA-N 1 3 291.395 2.725 20 5 CFBDHO Cc1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459732827 245291204 /nfs/dbraw/zinc/29/12/04/245291204.db2.gz NBUTZTPCSPBULY-AWEZNQCLSA-N 1 3 291.395 2.725 20 5 CFBDHO Cc1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459732827 245291215 /nfs/dbraw/zinc/29/12/15/245291215.db2.gz NBUTZTPCSPBULY-AWEZNQCLSA-N 1 3 291.395 2.725 20 5 CFBDHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648973 372684659 /nfs/dbraw/zinc/68/46/59/372684659.db2.gz WGFMZHYTQZWONB-STQMWFEESA-N 1 3 289.379 2.730 20 5 CFBDHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649073 372685459 /nfs/dbraw/zinc/68/54/59/372685459.db2.gz RLMAZQJYXUPRKH-STQMWFEESA-N 1 3 289.379 2.730 20 5 CFBDHO O=[N+]([O-])c1ccc(CNCCC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414980038 381675633 /nfs/dbraw/zinc/67/56/33/381675633.db2.gz WEIOZKTVBPVMCW-GFCCVEGCSA-N 1 3 297.786 2.870 20 5 CFBDHO O=[N+]([O-])c1cccc(CNCCCCC[NH+]2CCCC2)c1 ZINC000292896762 381892145 /nfs/dbraw/zinc/89/21/45/381892145.db2.gz DHPSLXQWZQCPDF-UHFFFAOYSA-N 1 3 291.395 2.951 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CN(C)C ZINC000293815274 382289721 /nfs/dbraw/zinc/28/97/21/382289721.db2.gz VUAMZTCDTAWENB-UONOGXRCSA-N 1 3 293.411 2.703 20 5 CFBDHO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000293777005 382274916 /nfs/dbraw/zinc/27/49/16/382274916.db2.gz SYCSCLQUGHHEHW-MLGOLLRUSA-N 1 3 291.395 2.760 20 5 CFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(C)(C)C[NH+](C)C ZINC000449064903 383157595 /nfs/dbraw/zinc/15/75/95/383157595.db2.gz WWOBZLJMBDSIDR-CYBMUJFWSA-N 1 3 293.411 2.703 20 5 CFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](C)C[NH+](C)C ZINC000491558901 533408765 /nfs/dbraw/zinc/40/87/65/533408765.db2.gz HSBBDGKYMSNCCO-MAUPQMMJSA-N 1 3 291.395 2.785 20 5 CFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CN(C)C ZINC000491558901 533408766 /nfs/dbraw/zinc/40/87/66/533408766.db2.gz HSBBDGKYMSNCCO-MAUPQMMJSA-N 1 3 291.395 2.785 20 5 CFBDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249382675 131121496 /nfs/dbraw/zinc/12/14/96/131121496.db2.gz UAIZWNOYVZCUQP-OLZOCXBDSA-N 1 3 277.368 2.587 20 5 CFBDHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181081 278348025 /nfs/dbraw/zinc/34/80/25/278348025.db2.gz MMLJJJYWOUBHIY-KGLIPLIRSA-N 1 3 291.395 2.977 20 5 CFBDHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181081 278348026 /nfs/dbraw/zinc/34/80/26/278348026.db2.gz MMLJJJYWOUBHIY-KGLIPLIRSA-N 1 3 291.395 2.977 20 5 CFBDHO CC1(C)C[NH2+]CC[C@@H](NCCc2ccccc2[N+](=O)[O-])C1 ZINC000902332161 621038996 /nfs/dbraw/zinc/03/89/96/621038996.db2.gz CUADVMHZMBIASI-CQSZACIVSA-N 1 3 291.395 2.505 20 5 CFBDHO C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H](O)CN ZINC000841093935 631338681 /nfs/dbraw/zinc/33/86/81/631338681.db2.gz VUPHOCYXBIAZPE-INIZCTEOSA-N 1 3 294.398 2.744 20 5 CFBDHO C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H](O)CN ZINC000841093935 631338683 /nfs/dbraw/zinc/33/86/83/631338683.db2.gz VUPHOCYXBIAZPE-INIZCTEOSA-N 1 3 294.398 2.744 20 5 CFBDHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877073214 643135451 /nfs/dbraw/zinc/13/54/51/643135451.db2.gz FNXCLVYHILKGAC-GOEBONIOSA-N 1 3 291.395 2.600 20 5 CFBDHO Cc1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000925735821 648303412 /nfs/dbraw/zinc/30/34/12/648303412.db2.gz YBZYBLYUDCUIHJ-KGLIPLIRSA-N 1 3 291.395 2.899 20 5 CFBDHO CC(C)([NH3+])CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925742280 648306253 /nfs/dbraw/zinc/30/62/53/648306253.db2.gz RSHRVXHHUHUCDG-AWEZNQCLSA-N 1 3 291.395 2.633 20 5 CFBDHO C[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000404411541 348591321 /nfs/dbraw/zinc/59/13/21/348591321.db2.gz XWRFMUQMCUNIAL-CJNGLKHVSA-N 1 3 291.395 2.587 20 5 CFBDHO C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CCN ZINC000404411541 348591324 /nfs/dbraw/zinc/59/13/24/348591324.db2.gz XWRFMUQMCUNIAL-CJNGLKHVSA-N 1 3 291.395 2.587 20 5 CFBDHO C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CCN ZINC000404411541 348591326 /nfs/dbraw/zinc/59/13/26/348591326.db2.gz XWRFMUQMCUNIAL-CJNGLKHVSA-N 1 3 291.395 2.587 20 5 CFBDHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414826174 233367681 /nfs/dbraw/zinc/36/76/81/233367681.db2.gz VCFMZTKNRVGAJP-GZBFAFLISA-N 1 3 291.395 2.633 20 5 CFBDHO O=[N+]([O-])c1ccc(CNCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414837023 233372630 /nfs/dbraw/zinc/37/26/30/233372630.db2.gz JYTKXURDHHHOFU-LLVKDONJSA-N 1 3 297.786 2.728 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000183279549 189353404 /nfs/dbraw/zinc/35/34/04/189353404.db2.gz VQKWUSYZDPAGPL-CQSZACIVSA-N 1 3 291.395 2.677 20 5 CFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000183279549 189353405 /nfs/dbraw/zinc/35/34/05/189353405.db2.gz VQKWUSYZDPAGPL-CQSZACIVSA-N 1 3 291.395 2.677 20 5 CFBDHO C[NH2+]CC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000063159072 373789167 /nfs/dbraw/zinc/78/91/67/373789167.db2.gz KJMRPRHDGUNUIC-LBPRGKRZSA-N 1 3 277.368 2.587 20 5 CFBDHO [NH3+]CCCN(Cc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000352509845 382375538 /nfs/dbraw/zinc/37/55/38/382375538.db2.gz LNJRVHKZTOHQJQ-UHFFFAOYSA-N 1 3 291.395 2.936 20 5 CFBDHO O=[N+]([O-])c1cccc(CN(CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420369606 382391074 /nfs/dbraw/zinc/39/10/74/382391074.db2.gz XUSOCEDMDDGRLX-ZDUSSCGKSA-N 1 3 289.379 2.559 20 5 CFBDHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423037374 383023471 /nfs/dbraw/zinc/02/34/71/383023471.db2.gz BHDDTCKLOMAJKR-YPMHNXCESA-N 1 3 297.786 2.508 20 5 CFBDHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423037374 383023474 /nfs/dbraw/zinc/02/34/74/383023474.db2.gz BHDDTCKLOMAJKR-YPMHNXCESA-N 1 3 297.786 2.508 20 5 CFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C[NH3+])CC1 ZINC000420281253 394114730 /nfs/dbraw/zinc/11/47/30/394114730.db2.gz ZZQDSQOMKHBDAS-LBPRGKRZSA-N 1 3 277.368 2.635 20 5 CFBDHO Cc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000350175758 163065982 /nfs/dbraw/zinc/06/59/82/163065982.db2.gz JAVDDTDKPSSOTG-UHFFFAOYSA-N 1 3 291.395 2.677 20 5 CFBDHO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000293776979 274225344 /nfs/dbraw/zinc/22/53/44/274225344.db2.gz SYCSCLQUGHHEHW-BLLLJJGKSA-N 1 3 291.395 2.760 20 5 CFBDHO C[C@@H](C[NH3+])CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423308907 278245677 /nfs/dbraw/zinc/24/56/77/278245677.db2.gz PFIMICFQZWZIFM-IINYFYTJSA-N 1 3 277.368 2.502 20 5 CFBDHO N[C@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000565783500 290325414 /nfs/dbraw/zinc/32/54/14/290325414.db2.gz BAJWKSDWANSDSN-GJZGRUSLSA-N 1 3 291.395 2.777 20 5 CFBDHO CCN1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425965 521713128 /nfs/dbraw/zinc/71/31/28/521713128.db2.gz LAGADGYPMJXLDN-XJKSGUPXSA-N 1 3 291.395 2.757 20 5 CFBDHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425965 521713129 /nfs/dbraw/zinc/71/31/29/521713129.db2.gz LAGADGYPMJXLDN-XJKSGUPXSA-N 1 3 291.395 2.757 20 5 CFBDHO CC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000414897083 527980858 /nfs/dbraw/zinc/98/08/58/527980858.db2.gz DGFZZBILXMNQEW-UHFFFAOYSA-N 1 3 297.786 2.728 20 5 CFBDHO CC(C)C[C@H](CN)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423256538 528519391 /nfs/dbraw/zinc/51/93/91/528519391.db2.gz BYEPKTOUDFKTPV-DGCLKSJQSA-N 1 3 265.357 2.619 20 5 CFBDHO CCCC[C@H](CN)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423298275 528957550 /nfs/dbraw/zinc/95/75/50/528957550.db2.gz NWYOCMUPIBIVFR-DGCLKSJQSA-N 1 3 265.357 2.763 20 5 CFBDHO O=[N+]([O-])c1ccc(Cl)c(CNCCC[C@@H]2CCC[NH2+]2)c1 ZINC000841072077 620796428 /nfs/dbraw/zinc/79/64/28/620796428.db2.gz FTZCQLLMNJDDIK-GFCCVEGCSA-N 1 3 297.786 2.870 20 5 CFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)N(C)C ZINC000895292256 618514961 /nfs/dbraw/zinc/51/49/61/618514961.db2.gz ALKHFBLGOQAYAZ-ZIAGYGMSSA-N 1 3 293.411 2.846 20 5 CFBDHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000902432695 621078100 /nfs/dbraw/zinc/07/81/00/621078100.db2.gz WIZHLCCPLRIEPC-ICIURTGMSA-N 1 3 289.379 2.571 20 5 CFBDHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332298313 378744294 /nfs/dbraw/zinc/74/42/94/378744294.db2.gz MRCZVQULAYPHIM-IOASZLSFSA-N 1 3 289.379 2.832 20 5 CFBDHO Cc1c(CN[C@@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000231883871 382867613 /nfs/dbraw/zinc/86/76/13/382867613.db2.gz JDMYSPCJPWCFGL-TZMCWYRMSA-N 1 3 277.368 2.510 20 5 CFBDHO N[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017758 383014317 /nfs/dbraw/zinc/01/43/17/383014317.db2.gz XAVCHFYMDYZJRM-IAGOWNOFSA-N 1 3 297.358 2.872 20 5 CFBDHO Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423393629 383079859 /nfs/dbraw/zinc/07/98/59/383079859.db2.gz QSZOVAOVPZXWLA-IACUBPJLSA-N 1 3 277.368 2.824 20 5 CFBDHO