smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000012780096 539574205 /nfs/dbraw/zinc/57/42/05/539574205.db2.gz BDNBGPKLATWHNT-ZDUSSCGKSA-N 1 1 367.413 2.155 50 5 FEBAMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000019595645 539663418 /nfs/dbraw/zinc/66/34/18/539663418.db2.gz JPJOVOODFZGOBN-SFHVURJKSA-N 1 1 357.410 2.157 50 5 FEBAMO CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035870413 539984054 /nfs/dbraw/zinc/98/40/54/539984054.db2.gz PLRDNPWFGBHDEC-PKOBYXMFSA-N 1 1 372.469 2.336 50 5 FEBAMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000095448269 542970187 /nfs/dbraw/zinc/97/01/87/542970187.db2.gz WIPWDBURFAJREA-ZWKOTPCHSA-N 1 1 355.394 2.188 50 5 FEBAMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[N@H+](C)C1CC1)C1CC1 ZINC000225390277 548732645 /nfs/dbraw/zinc/73/26/45/548732645.db2.gz KKKSQZWABOPBFT-UHFFFAOYSA-N 1 1 353.444 2.151 50 5 FEBAMO COc1ccc([N+](=O)[O-])cc1C(=O)NN1CC[NH+](Cc2ccccc2)CC1 ZINC000019801758 539669691 /nfs/dbraw/zinc/66/96/91/539669691.db2.gz KMVCPKPBKKAQIH-UHFFFAOYSA-N 1 1 370.409 2.066 50 5 FEBAMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000040074202 540005611 /nfs/dbraw/zinc/00/56/11/540005611.db2.gz PCVGNHGBIGAAER-UHFFFAOYSA-N 1 1 354.410 2.476 50 5 FEBAMO CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681800 546160140 /nfs/dbraw/zinc/16/01/40/546160140.db2.gz PLRDNPWFGBHDEC-HKUYNNGSSA-N 1 1 372.469 2.336 50 5 FEBAMO COc1cc(C[N@H+](C)CC(=O)NCc2ccccc2[N+](=O)[O-])ccc1O ZINC000076093197 542232351 /nfs/dbraw/zinc/23/23/51/542232351.db2.gz KYOVOJULKQRJOW-UHFFFAOYSA-N 1 1 359.382 2.057 50 5 FEBAMO COc1cc(C[N@@H+](C)CC(=O)NCc2ccccc2[N+](=O)[O-])ccc1O ZINC000076093197 542232356 /nfs/dbraw/zinc/23/23/56/542232356.db2.gz KYOVOJULKQRJOW-UHFFFAOYSA-N 1 1 359.382 2.057 50 5 FEBAMO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000084340763 571082842 /nfs/dbraw/zinc/08/28/42/571082842.db2.gz TXELOCZZNVPRLC-LBPRGKRZSA-N 1 1 356.220 2.268 50 5 FEBAMO C[NH+]1CCN(c2ccc(-c3n[nH]c(=O)c4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000004981745 539398542 /nfs/dbraw/zinc/39/85/42/539398542.db2.gz OISBSMFXCNBSCS-UHFFFAOYSA-N 1 1 365.393 2.250 50 5 FEBAMO CC[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)c(C)c3)n2)CC1 ZINC000004306081 132386747 /nfs/dbraw/zinc/38/67/47/132386747.db2.gz AWMZXKYPBZZDKM-UHFFFAOYSA-N 1 1 371.445 2.469 50 5 FEBAMO CCC[N@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000095412780 542969347 /nfs/dbraw/zinc/96/93/47/542969347.db2.gz HXDZNNLIQHFWOG-UHFFFAOYSA-N 1 1 359.423 2.149 50 5 FEBAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000010335362 204012037 /nfs/dbraw/zinc/01/20/37/204012037.db2.gz YEAIJGNKFVYBPL-HNNXBMFYSA-N 1 1 367.402 2.315 50 5 FEBAMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000054991783 205202731 /nfs/dbraw/zinc/20/27/31/205202731.db2.gz LDFXJTXXVZTHRV-OAHLLOKOSA-N 1 1 365.455 2.257 50 5 FEBAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000012768883 539572559 /nfs/dbraw/zinc/57/25/59/539572559.db2.gz HKTAOQFUCKSJNQ-CQSZACIVSA-N 1 1 369.377 2.328 50 5 FEBAMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000019595644 539662879 /nfs/dbraw/zinc/66/28/79/539662879.db2.gz JPJOVOODFZGOBN-GOSISDBHSA-N 1 1 357.410 2.157 50 5 FEBAMO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000058167294 209861576 /nfs/dbraw/zinc/86/15/76/209861576.db2.gz HJHSVHLABUXQHV-KGLIPLIRSA-N 1 1 355.460 2.135 50 5 FEBAMO CC[NH+]1CCN(c2nc(Nc3ccc(C)cc3)nc(N)c2[N+](=O)[O-])CC1 ZINC000009288200 132845186 /nfs/dbraw/zinc/84/51/86/132845186.db2.gz GMFYWOJUKGIRKM-UHFFFAOYSA-N 1 1 357.418 2.161 50 5 FEBAMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000048253743 570940723 /nfs/dbraw/zinc/94/07/23/570940723.db2.gz DAOULPFDSMSULX-HNNXBMFYSA-N 1 1 357.414 2.140 50 5 FEBAMO C[C@H]1CCC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000035624736 208132970 /nfs/dbraw/zinc/13/29/70/208132970.db2.gz RCVDUDYYBPDSQT-HOCLYGCPSA-N 1 1 367.471 2.480 50 5 FEBAMO C[C@@H]1CCC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000035624734 208133941 /nfs/dbraw/zinc/13/39/41/208133941.db2.gz RCVDUDYYBPDSQT-ZBFHGGJFSA-N 1 1 367.471 2.480 50 5 FEBAMO C[NH+]1CCN(c2ccc(-c3nc(-c4cccnc4)no3)cc2[N+](=O)[O-])CC1 ZINC000020897854 539678501 /nfs/dbraw/zinc/67/85/01/539678501.db2.gz MDRVZTZWIWLQPV-UHFFFAOYSA-N 1 1 366.381 2.459 50 5 FEBAMO C[NH+]1CCN(C2(CNC(=O)c3cccc([N+](=O)[O-])c3)CCCCC2)CC1 ZINC000027744295 539815648 /nfs/dbraw/zinc/81/56/48/539815648.db2.gz JXAKRXRTYBQQQF-UHFFFAOYSA-N 1 1 360.458 2.275 50 5 FEBAMO CCOC(=O)[C@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000048343116 209331502 /nfs/dbraw/zinc/33/15/02/209331502.db2.gz UXOVFYFHAAHXDO-AWEZNQCLSA-N 1 1 359.386 2.086 50 5 FEBAMO CCOC(=O)[C@H]1CCC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000048343116 209331505 /nfs/dbraw/zinc/33/15/05/209331505.db2.gz UXOVFYFHAAHXDO-AWEZNQCLSA-N 1 1 359.386 2.086 50 5 FEBAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000004087036 539376884 /nfs/dbraw/zinc/37/68/84/539376884.db2.gz XDSQSCHUXFLYRL-UHFFFAOYSA-N 1 1 374.422 2.386 50 5 FEBAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000004087036 539376887 /nfs/dbraw/zinc/37/68/87/539376887.db2.gz XDSQSCHUXFLYRL-UHFFFAOYSA-N 1 1 374.422 2.386 50 5 FEBAMO C[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)CC1 ZINC000004306323 132386744 /nfs/dbraw/zinc/38/67/44/132386744.db2.gz BMPIGHRTISUQKM-UHFFFAOYSA-N 1 1 363.809 2.116 50 5 FEBAMO CC(C)CNC(=O)[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000048272301 570939684 /nfs/dbraw/zinc/93/96/84/570939684.db2.gz CCFICZSGFDLGJL-CQSZACIVSA-N 1 1 359.430 2.386 50 5 FEBAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000012992977 539581378 /nfs/dbraw/zinc/58/13/78/539581378.db2.gz ZAIGFUNAPJHQEV-UHFFFAOYSA-N 1 1 355.394 2.357 50 5 FEBAMO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000058167295 540830771 /nfs/dbraw/zinc/83/07/71/540830771.db2.gz HJHSVHLABUXQHV-KBPBESRZSA-N 1 1 355.460 2.135 50 5 FEBAMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000023107811 539705677 /nfs/dbraw/zinc/70/56/77/539705677.db2.gz PAOZWDQUKDSIFW-CYBMUJFWSA-N 1 1 355.441 2.238 50 5 FEBAMO COc1ccccc1Nc1nc(N2CC[NH+](C)CC2)nc(C)c1[N+](=O)[O-] ZINC000005336459 539408319 /nfs/dbraw/zinc/40/83/19/539408319.db2.gz UIZQPKQEQDTPSG-UHFFFAOYSA-N 1 1 358.402 2.197 50 5 FEBAMO Cc1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)nc1 ZINC000008720843 539490836 /nfs/dbraw/zinc/49/08/36/539490836.db2.gz YLMFFUFUEYFKKM-UHFFFAOYSA-N 1 1 355.398 2.302 50 5 FEBAMO C[NH+]1CCN(c2ccc(C(=O)NCc3ccc(F)cc3)cc2[N+](=O)[O-])CC1 ZINC000012564312 207394706 /nfs/dbraw/zinc/39/47/06/207394706.db2.gz GRMMWDWYUVZKBH-UHFFFAOYSA-N 1 1 372.400 2.416 50 5 FEBAMO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000095462526 209054607 /nfs/dbraw/zinc/05/46/07/209054607.db2.gz UTHTXDCUROUNCI-JTQLQIEISA-N 1 1 353.375 2.232 50 5 FEBAMO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000084340761 571082853 /nfs/dbraw/zinc/08/28/53/571082853.db2.gz TXELOCZZNVPRLC-GFCCVEGCSA-N 1 1 356.220 2.268 50 5 FEBAMO C[NH+]1CCN(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCCC2)CC1 ZINC000008673742 539489876 /nfs/dbraw/zinc/48/98/76/539489876.db2.gz CZISWAXVKJTPDY-UHFFFAOYSA-N 1 1 360.458 2.275 50 5 FEBAMO C[NH+]1CCN(c2ccc(-c3noc(-c4ccccn4)n3)cc2[N+](=O)[O-])CC1 ZINC000020894468 539678064 /nfs/dbraw/zinc/67/80/64/539678064.db2.gz TVRBWISCOLTQNR-UHFFFAOYSA-N 1 1 366.381 2.459 50 5 FEBAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000010335353 210358784 /nfs/dbraw/zinc/35/87/84/210358784.db2.gz QRLJMLJLDZKGDC-INIZCTEOSA-N 1 1 367.402 2.315 50 5 FEBAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000016685021 211165882 /nfs/dbraw/zinc/16/58/82/211165882.db2.gz BFRCNYOZGYSICN-LBPRGKRZSA-N 1 1 350.371 2.236 50 5 FEBAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000016685021 211165885 /nfs/dbraw/zinc/16/58/85/211165885.db2.gz BFRCNYOZGYSICN-LBPRGKRZSA-N 1 1 350.371 2.236 50 5 FEBAMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000048253745 570940737 /nfs/dbraw/zinc/94/07/37/570940737.db2.gz DAOULPFDSMSULX-OAHLLOKOSA-N 1 1 357.414 2.140 50 5 FEBAMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000048272387 570939439 /nfs/dbraw/zinc/93/94/39/570939439.db2.gz MDGRHSFUURRELM-AWEZNQCLSA-N 1 1 357.414 2.140 50 5 FEBAMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026715660 539791912 /nfs/dbraw/zinc/79/19/12/539791912.db2.gz RGHZPKPOONXTSA-HNNXBMFYSA-N 1 1 360.366 2.195 50 5 FEBAMO CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681799 546160165 /nfs/dbraw/zinc/16/01/65/546160165.db2.gz PLRDNPWFGBHDEC-MJGOQNOKSA-N 1 1 372.469 2.336 50 5 FEBAMO COc1ccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000013986483 539593366 /nfs/dbraw/zinc/59/33/66/539593366.db2.gz BKNJLUWUQFHYIC-UHFFFAOYSA-N 1 1 358.398 2.199 50 5 FEBAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000023107809 539705995 /nfs/dbraw/zinc/70/59/95/539705995.db2.gz PAOZWDQUKDSIFW-ZDUSSCGKSA-N 1 1 355.441 2.238 50 5 FEBAMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000033853100 539976343 /nfs/dbraw/zinc/97/63/43/539976343.db2.gz XNYIYLZJLLDUHG-KRWDZBQOSA-N 1 1 357.410 2.157 50 5 FEBAMO CC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000075109851 542153230 /nfs/dbraw/zinc/15/32/30/542153230.db2.gz PIADYNIYGCWKNQ-UHFFFAOYSA-N 1 1 360.183 2.274 50 5 FEBAMO CC1CCC([NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000035624732 539984180 /nfs/dbraw/zinc/98/41/80/539984180.db2.gz YYKLNSCYNJBHLS-UHFFFAOYSA-N 1 1 367.471 2.480 50 5 FEBAMO C[NH+]1CCN(c2ccc(C(=O)NCc3ccccc3F)cc2[N+](=O)[O-])CC1 ZINC000012517174 539562200 /nfs/dbraw/zinc/56/22/00/539562200.db2.gz XLLUABBUBKSCCL-UHFFFAOYSA-N 1 1 372.400 2.416 50 5 FEBAMO CC(C)NC(=O)C[N@@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000032803889 539953394 /nfs/dbraw/zinc/95/33/94/539953394.db2.gz UUFMZWVBRKSGIJ-UHFFFAOYSA-N 1 1 354.838 2.285 50 5 FEBAMO CC(C)NC(=O)C[N@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000032803889 539953395 /nfs/dbraw/zinc/95/33/95/539953395.db2.gz UUFMZWVBRKSGIJ-UHFFFAOYSA-N 1 1 354.838 2.285 50 5 FEBAMO Cc1cccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)n1 ZINC000005050647 132256074 /nfs/dbraw/zinc/25/60/74/132256074.db2.gz VORYJEYDZYSFTO-UHFFFAOYSA-N 1 1 355.398 2.302 50 5 FEBAMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000170600247 546163494 /nfs/dbraw/zinc/16/34/94/546163494.db2.gz KRUQUZJFINKNAM-CYBMUJFWSA-N 1 1 356.382 2.042 50 5 FEBAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000170600247 546163496 /nfs/dbraw/zinc/16/34/96/546163496.db2.gz KRUQUZJFINKNAM-CYBMUJFWSA-N 1 1 356.382 2.042 50 5 FEBAMO C[NH+]1CCN(CCCNc2c3ccccc3sc(=O)c2[N+](=O)[O-])CC1 ZINC000003900642 539374229 /nfs/dbraw/zinc/37/42/29/539374229.db2.gz ZABIUTKHDUYZCF-UHFFFAOYSA-N 1 1 362.455 2.219 50 5 FEBAMO O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227872 540297593 /nfs/dbraw/zinc/29/75/93/540297593.db2.gz QCPBKNDSMPIPOL-UHFFFAOYSA-N 1 1 369.421 2.286 50 5 FEBAMO O=C(C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)N1CCCC1 ZINC000048273876 221003986 /nfs/dbraw/zinc/00/39/86/221003986.db2.gz FQAKJAQIISDZPI-UHFFFAOYSA-N 1 1 357.414 2.236 50 5 FEBAMO O=C(C[N@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000032803882 539953760 /nfs/dbraw/zinc/95/37/60/539953760.db2.gz QAIDKDUGRJIPJH-UHFFFAOYSA-N 1 1 366.849 2.383 50 5 FEBAMO O=C(C[N@@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000032803882 539953762 /nfs/dbraw/zinc/95/37/62/539953762.db2.gz QAIDKDUGRJIPJH-UHFFFAOYSA-N 1 1 366.849 2.383 50 5 FEBAMO C[NH+]1CCN(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 ZINC000017073401 220201529 /nfs/dbraw/zinc/20/15/29/220201529.db2.gz YXXIWAYWHVPVJJ-UHFFFAOYSA-N 1 1 354.819 2.355 50 5 FEBAMO CCn1c2ccccc2c(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1=O ZINC000019808889 220299756 /nfs/dbraw/zinc/29/97/56/220299756.db2.gz YZHFSGLZTJUYKA-UHFFFAOYSA-N 1 1 360.414 2.064 50 5 FEBAMO C[NH+]1CCN(c2ccc(-c3nc(-c4ccncc4)no3)cc2[N+](=O)[O-])CC1 ZINC000020898042 539678069 /nfs/dbraw/zinc/67/80/69/539678069.db2.gz IGYXYNYBXDJDOA-UHFFFAOYSA-N 1 1 366.381 2.459 50 5 FEBAMO Cc1cccnc1NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000004855609 539393880 /nfs/dbraw/zinc/39/38/80/539393880.db2.gz ABTLLNZNERBIFD-UHFFFAOYSA-N 1 1 355.398 2.302 50 5 FEBAMO CC[NH+]1CCN(c2nc(Nc3cccc(C)c3)nc(N)c2[N+](=O)[O-])CC1 ZINC000005025278 539400054 /nfs/dbraw/zinc/40/00/54/539400054.db2.gz ZPOIPOCHHDZVHE-UHFFFAOYSA-N 1 1 357.418 2.161 50 5 FEBAMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000036056120 539986054 /nfs/dbraw/zinc/98/60/54/539986054.db2.gz ZIWIGEFKOAGIKT-UHFFFAOYSA-N 1 1 353.444 2.234 50 5 FEBAMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000107075957 222390262 /nfs/dbraw/zinc/39/02/62/222390262.db2.gz UDYBCCDHCNHRCR-MJBXVCDLSA-N 1 1 355.460 2.240 50 5 FEBAMO C[C@H]1CCC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000035624740 539983762 /nfs/dbraw/zinc/98/37/62/539983762.db2.gz RCVDUDYYBPDSQT-GOEBONIOSA-N 1 1 367.471 2.480 50 5 FEBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000040095069 540006257 /nfs/dbraw/zinc/00/62/57/540006257.db2.gz OJDRSURKISGDOD-CQSZACIVSA-N 1 1 366.418 2.082 50 5 FEBAMO C[C@@H]1CCC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000035624738 539983814 /nfs/dbraw/zinc/98/38/14/539983814.db2.gz RCVDUDYYBPDSQT-GDBMZVCRSA-N 1 1 367.471 2.480 50 5 FEBAMO C[N@H+]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000095448268 542969980 /nfs/dbraw/zinc/96/99/80/542969980.db2.gz WIPWDBURFAJREA-QZTJIDSGSA-N 1 1 355.394 2.188 50 5 FEBAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000016685019 539635902 /nfs/dbraw/zinc/63/59/02/539635902.db2.gz BFRCNYOZGYSICN-GFCCVEGCSA-N 1 1 350.371 2.236 50 5 FEBAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000016685019 539635905 /nfs/dbraw/zinc/63/59/05/539635905.db2.gz BFRCNYOZGYSICN-GFCCVEGCSA-N 1 1 350.371 2.236 50 5 FEBAMO CC(=O)NCC[NH2+][C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000033039564 539964537 /nfs/dbraw/zinc/96/45/37/539964537.db2.gz FTVXCVWYEIOONB-SFHVURJKSA-N 1 1 370.409 2.309 50 5 FEBAMO CN1CC[NH+](Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000041577256 540025245 /nfs/dbraw/zinc/02/52/45/540025245.db2.gz QUJQSWYAXXQREF-UHFFFAOYSA-N 1 1 368.437 2.272 50 5 FEBAMO CNC(=O)c1ccc(C[N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000052584122 206222260 /nfs/dbraw/zinc/22/22/60/206222260.db2.gz FKINEWJEKZZMFA-UHFFFAOYSA-N 1 1 353.382 2.394 50 5 FEBAMO CNC(=O)c1ccc(C[N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000052584122 206222264 /nfs/dbraw/zinc/22/22/64/206222264.db2.gz FKINEWJEKZZMFA-UHFFFAOYSA-N 1 1 353.382 2.394 50 5 FEBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)Cc1ccccc1 ZINC000002764938 204055370 /nfs/dbraw/zinc/05/53/70/204055370.db2.gz LQOIKXJMTCDVOQ-UHFFFAOYSA-N 1 1 373.409 2.427 50 5 FEBAMO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000109045525 206247152 /nfs/dbraw/zinc/24/71/52/206247152.db2.gz HJHSVHLABUXQHV-ZIAGYGMSSA-N 1 1 355.460 2.135 50 5 FEBAMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000095462527 542971830 /nfs/dbraw/zinc/97/18/30/542971830.db2.gz UTHTXDCUROUNCI-SNVBAGLBSA-N 1 1 353.375 2.232 50 5 FEBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000012780093 539573877 /nfs/dbraw/zinc/57/38/77/539573877.db2.gz BDNBGPKLATWHNT-CYBMUJFWSA-N 1 1 367.413 2.155 50 5 FEBAMO C[NH+]1CCN(c2ccc(-c3noc(-c4cccnc4)n3)cc2[N+](=O)[O-])CC1 ZINC000020894369 539678218 /nfs/dbraw/zinc/67/82/18/539678218.db2.gz ABQQOEULGPCBDC-UHFFFAOYSA-N 1 1 366.381 2.459 50 5 FEBAMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000035624744 539983974 /nfs/dbraw/zinc/98/39/74/539983974.db2.gz JOKAQDSOQXGJNQ-UHFFFAOYSA-N 1 1 353.444 2.234 50 5 FEBAMO CC[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)CC1 ZINC000004305905 132386722 /nfs/dbraw/zinc/38/67/22/132386722.db2.gz VXBUAUNMZXVJML-UHFFFAOYSA-N 1 1 357.418 2.161 50 5 FEBAMO C[N@H+]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000108146319 543283178 /nfs/dbraw/zinc/28/31/78/543283178.db2.gz WIPWDBURFAJREA-ROUUACIJSA-N 1 1 355.394 2.188 50 5 FEBAMO O=[N+]([O-])c1ccnn1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000054429422 205200230 /nfs/dbraw/zinc/20/02/30/205200230.db2.gz RCPOFXHPDPZWDP-UHFFFAOYSA-N 1 1 365.821 2.099 50 5 FEBAMO C[NH+]1CCN(c2ccc(-c3nc(-c4ccccn4)no3)cc2[N+](=O)[O-])CC1 ZINC000020898073 539678420 /nfs/dbraw/zinc/67/84/20/539678420.db2.gz KQBXJOKVFASDIA-UHFFFAOYSA-N 1 1 366.381 2.459 50 5 FEBAMO CNC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000058180304 540832323 /nfs/dbraw/zinc/83/23/23/540832323.db2.gz OMXIGJZYTRMSRX-SFHVURJKSA-N 1 1 370.409 2.309 50 5 FEBAMO CCOc1ccc(C[NH+]2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)cc1 ZINC000047331221 208375556 /nfs/dbraw/zinc/37/55/56/208375556.db2.gz KSCGKIKYFDWFOX-UHFFFAOYSA-N 1 1 359.430 2.358 50 5 FEBAMO C[NH+]1CCN(c2ccc(C(=O)NCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000009220153 539499481 /nfs/dbraw/zinc/49/94/81/539499481.db2.gz LDSUNCQWKYGIJB-UHFFFAOYSA-N 1 1 354.410 2.277 50 5 FEBAMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026715656 539792033 /nfs/dbraw/zinc/79/20/33/539792033.db2.gz RGHZPKPOONXTSA-OAHLLOKOSA-N 1 1 360.366 2.195 50 5 FEBAMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000054991926 540620890 /nfs/dbraw/zinc/62/08/90/540620890.db2.gz NGJRYJUQUYLNMC-OAHLLOKOSA-N 1 1 365.455 2.257 50 5 FEBAMO CC[NH+]1CCN(c2nc(Nc3ccc(C)c(C)c3)nc(N)c2[N+](=O)[O-])CC1 ZINC000005025331 539400480 /nfs/dbraw/zinc/40/04/80/539400480.db2.gz FNMGVKIIWMNOLV-UHFFFAOYSA-N 1 1 371.445 2.469 50 5 FEBAMO COCCC[N@@H+](C)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000076022930 542225861 /nfs/dbraw/zinc/22/58/61/542225861.db2.gz KRZZUCPUPNDAQY-UHFFFAOYSA-N 1 1 371.459 2.023 50 5 FEBAMO CC(=O)NCC[NH2+][C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000033039563 208068559 /nfs/dbraw/zinc/06/85/59/208068559.db2.gz FTVXCVWYEIOONB-GOSISDBHSA-N 1 1 370.409 2.309 50 5 FEBAMO C[C@@H]1CCC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000036046737 208142176 /nfs/dbraw/zinc/14/21/76/208142176.db2.gz JYTRNMDZQMRGJH-HUUCEWRRSA-N 1 1 367.471 2.480 50 5 FEBAMO COC(=O)c1cc(C)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000225815413 132286879 /nfs/dbraw/zinc/28/68/79/132286879.db2.gz BWIXNNADSXIUMN-UHFFFAOYSA-N 1 1 370.409 2.407 50 5 FEBAMO CC(C)CNC(=O)[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000048272304 570939610 /nfs/dbraw/zinc/93/96/10/570939610.db2.gz CCFICZSGFDLGJL-AWEZNQCLSA-N 1 1 359.430 2.386 50 5 FEBAMO COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000022034386 539690384 /nfs/dbraw/zinc/69/03/84/539690384.db2.gz MOKVCFJBASTBPZ-FUNVUKJBSA-N 1 1 363.414 2.451 50 5 FEBAMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000242324354 526785970 /nfs/dbraw/zinc/78/59/70/526785970.db2.gz ZANXALPXQAGQQA-ZDUSSCGKSA-N 1 1 352.822 2.357 50 5 FEBAMO COc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc(C)c2[N+](=O)[O-])cc1 ZINC000005276877 539407407 /nfs/dbraw/zinc/40/74/07/539407407.db2.gz MFRFIEXHWRPWLI-UHFFFAOYSA-N 1 1 358.402 2.197 50 5 FEBAMO NC(=O)CCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000040120737 208232470 /nfs/dbraw/zinc/23/24/70/208232470.db2.gz WHDZGSUWKKLNIP-UHFFFAOYSA-N 1 1 374.466 2.316 50 5 FEBAMO Cc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc(N)c2[N+](=O)[O-])cc1C ZINC000004306082 132386685 /nfs/dbraw/zinc/38/66/85/132386685.db2.gz VAQMFSCBXSAYAC-UHFFFAOYSA-N 1 1 357.418 2.079 50 5 FEBAMO C[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)CC1 ZINC000004305939 132386648 /nfs/dbraw/zinc/38/66/48/132386648.db2.gz UXGWXVUGJJDGPT-UHFFFAOYSA-N 1 1 363.809 2.116 50 5 FEBAMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000048272390 570938951 /nfs/dbraw/zinc/93/89/51/570938951.db2.gz MDGRHSFUURRELM-CQSZACIVSA-N 1 1 357.414 2.140 50 5 FEBAMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000054991781 540620858 /nfs/dbraw/zinc/62/08/58/540620858.db2.gz LDFXJTXXVZTHRV-HNNXBMFYSA-N 1 1 365.455 2.257 50 5 FEBAMO C[C@@H]1CCC[C@H]([NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000036046735 208141724 /nfs/dbraw/zinc/14/17/24/208141724.db2.gz JYTRNMDZQMRGJH-CABCVRRESA-N 1 1 367.471 2.480 50 5 FEBAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000012994737 211017085 /nfs/dbraw/zinc/01/70/85/211017085.db2.gz JOSFTTZFTXSIIJ-UHFFFAOYSA-N 1 1 355.394 2.357 50 5 FEBAMO O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000075148764 542156067 /nfs/dbraw/zinc/15/60/67/542156067.db2.gz ZANXALPXQAGQQA-CYBMUJFWSA-N 1 1 352.822 2.357 50 5 FEBAMO CC(C)NC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000032803891 539953528 /nfs/dbraw/zinc/95/35/28/539953528.db2.gz STOSXNQFGZRJLX-UHFFFAOYSA-N 1 1 371.441 2.180 50 5 FEBAMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000054991925 540620278 /nfs/dbraw/zinc/62/02/78/540620278.db2.gz NGJRYJUQUYLNMC-HNNXBMFYSA-N 1 1 365.455 2.257 50 5 FEBAMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000075109590 542153422 /nfs/dbraw/zinc/15/34/22/542153422.db2.gz UDYBCCDHCNHRCR-HZSPNIEDSA-N 1 1 355.460 2.240 50 5 FEBAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000012768885 539572972 /nfs/dbraw/zinc/57/29/72/539572972.db2.gz HKTAOQFUCKSJNQ-AWEZNQCLSA-N 1 1 369.377 2.328 50 5 FEBAMO CC1CCC([NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000036046734 539985728 /nfs/dbraw/zinc/98/57/28/539985728.db2.gz PPNHUEKPWFIUDH-UHFFFAOYSA-N 1 1 367.471 2.480 50 5 FEBAMO CCOC(=O)[C@@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000048343115 221008872 /nfs/dbraw/zinc/00/88/72/221008872.db2.gz UXOVFYFHAAHXDO-CQSZACIVSA-N 1 1 359.386 2.086 50 5 FEBAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000048343115 221008875 /nfs/dbraw/zinc/00/88/75/221008875.db2.gz UXOVFYFHAAHXDO-CQSZACIVSA-N 1 1 359.386 2.086 50 5 FEBAMO C[C@H](Sc1nc(N)cc(N)[nH+]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012538233 539563445 /nfs/dbraw/zinc/56/34/45/539563445.db2.gz KODXQZZCIQOFFC-ZETCQYMHSA-N 1 1 359.371 2.453 50 5 FEBAMO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC[NH+](CCO)CC1 ZINC000025719017 539767339 /nfs/dbraw/zinc/76/73/39/539767339.db2.gz GMNQAXKPMOKEQB-UHFFFAOYSA-N 1 1 353.728 2.381 50 5 FEBAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000010335366 210357915 /nfs/dbraw/zinc/35/79/15/210357915.db2.gz YEAIJGNKFVYBPL-OAHLLOKOSA-N 1 1 367.402 2.315 50 5 FEBAMO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000010328319 210354516 /nfs/dbraw/zinc/35/45/16/210354516.db2.gz JYDBKGUDWWMRIT-CYBMUJFWSA-N 1 1 363.370 2.238 50 5 FEBAMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000033853101 539976246 /nfs/dbraw/zinc/97/62/46/539976246.db2.gz XNYIYLZJLLDUHG-QGZVFWFLSA-N 1 1 357.410 2.157 50 5 FEBAMO C[C@H]1CCC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000036046738 539985536 /nfs/dbraw/zinc/98/55/36/539985536.db2.gz JYTRNMDZQMRGJH-LSDHHAIUSA-N 1 1 367.471 2.480 50 5 FEBAMO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000031663612 539915201 /nfs/dbraw/zinc/91/52/01/539915201.db2.gz HAENWGYCDPPRAI-INIZCTEOSA-N 1 1 370.409 2.136 50 5 FEBAMO C[C@H]1CCC[C@H]([NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000036046736 539985600 /nfs/dbraw/zinc/98/56/00/539985600.db2.gz JYTRNMDZQMRGJH-GJZGRUSLSA-N 1 1 367.471 2.480 50 5 FEBAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000012756810 220025910 /nfs/dbraw/zinc/02/59/10/220025910.db2.gz SPZXOWLTSWOAPY-UHFFFAOYSA-N 1 1 355.394 2.357 50 5 FEBAMO CC[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(C)c3)n2)CC1 ZINC000004305961 132386652 /nfs/dbraw/zinc/38/66/52/132386652.db2.gz DKZUUWUNCPYXNK-UHFFFAOYSA-N 1 1 357.418 2.161 50 5 FEBAMO Cc1[nH+]ccn1-c1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000047011940 570878294 /nfs/dbraw/zinc/87/82/94/570878294.db2.gz WAQHAUBXCPSNGQ-UHFFFAOYSA-N 1 1 351.366 2.343 50 5 FEBAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000010335356 539515997 /nfs/dbraw/zinc/51/59/97/539515997.db2.gz QRLJMLJLDZKGDC-MRXNPFEDSA-N 1 1 367.402 2.315 50 5 FEBAMO Cc1ccc(C)n1CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000021670300 220361821 /nfs/dbraw/zinc/36/18/21/220361821.db2.gz NPWVWQCNLIHDET-UHFFFAOYSA-N 1 1 356.426 2.471 50 5 FEBAMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)cc1Sc1ccccn1 ZINC000019849910 527362786 /nfs/dbraw/zinc/36/27/86/527362786.db2.gz BILNGAYPGRFDRP-UHFFFAOYSA-N 1 1 360.439 2.255 50 5 FEBAMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000031663614 539915042 /nfs/dbraw/zinc/91/50/42/539915042.db2.gz HAENWGYCDPPRAI-MRXNPFEDSA-N 1 1 370.409 2.136 50 5 FEBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000040095072 540006110 /nfs/dbraw/zinc/00/61/10/540006110.db2.gz OJDRSURKISGDOD-AWEZNQCLSA-N 1 1 366.418 2.082 50 5 FEBAMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012538230 220005387 /nfs/dbraw/zinc/00/53/87/220005387.db2.gz KODXQZZCIQOFFC-SSDOTTSWSA-N 1 1 359.371 2.453 50 5 FEBAMO CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035870412 539984195 /nfs/dbraw/zinc/98/41/95/539984195.db2.gz PLRDNPWFGBHDEC-IEBWSBKVSA-N 1 1 372.469 2.336 50 5 FEBAMO COc1cc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])nc1[N+](=O)[O-] ZINC000055453940 136126783 /nfs/dbraw/zinc/12/67/83/136126783.db2.gz NXOVTHLPVNAGQH-UHFFFAOYSA-N 1 1 373.369 2.229 50 5 FEBAMO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000109045528 543312470 /nfs/dbraw/zinc/31/24/70/543312470.db2.gz HJHSVHLABUXQHV-UONOGXRCSA-N 1 1 355.460 2.135 50 5 FEBAMO C[NH+]1CCN(c2ccc(C(=O)NCCc3cccs3)cc2[N+](=O)[O-])CC1 ZINC000008723494 523923898 /nfs/dbraw/zinc/92/38/98/523923898.db2.gz UHQCWQMKMGPULL-UHFFFAOYSA-N 1 1 374.466 2.381 50 5 FEBAMO C[N@H+]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000222029238 568111278 /nfs/dbraw/zinc/11/12/78/568111278.db2.gz WIPWDBURFAJREA-MSOLQXFVSA-N 1 1 355.394 2.188 50 5 FEBAMO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000010328316 539515905 /nfs/dbraw/zinc/51/59/05/539515905.db2.gz JYDBKGUDWWMRIT-ZDUSSCGKSA-N 1 1 363.370 2.238 50 5 FEBAMO C[NH+]1CCN(c2ccc(-c3noc(-c4ccncc4)n3)cc2[N+](=O)[O-])CC1 ZINC000020894412 539678237 /nfs/dbraw/zinc/67/82/37/539678237.db2.gz VXAYURIURPCAGY-UHFFFAOYSA-N 1 1 366.381 2.459 50 5 FEBAMO CC(C)N(C)C(=O)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000029582388 539857418 /nfs/dbraw/zinc/85/74/18/539857418.db2.gz JSFHRKOAJKUUPF-UHFFFAOYSA-N 1 1 359.430 2.481 50 5 FEBAMO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000047538043 540316938 /nfs/dbraw/zinc/31/69/38/540316938.db2.gz NHIWHQXVYCXLAF-UHFFFAOYSA-N 1 1 365.434 2.345 50 5 FEBAMO CNC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000058180305 221103331 /nfs/dbraw/zinc/10/33/31/221103331.db2.gz OMXIGJZYTRMSRX-GOSISDBHSA-N 1 1 370.409 2.309 50 5 FEBAMO COC(=O)CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000069923654 221328664 /nfs/dbraw/zinc/32/86/64/221328664.db2.gz BALUXHDVICJMCK-UHFFFAOYSA-N 1 1 351.403 2.079 50 5 FEBAMO Cc1ccnc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c1 ZINC000008708179 132260049 /nfs/dbraw/zinc/26/00/49/132260049.db2.gz BNKMSQDNGYXDRT-UHFFFAOYSA-N 1 1 355.398 2.302 50 5 FEBAMO