smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000023181862 559031697 /nfs/dbraw/zinc/03/16/97/559031697.db2.gz VZCOZVGQCRJLJL-ZIAGYGMSSA-N 1 1 409.483 2.620 50 5 HFBAMO COc1cc(C)c(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1OC ZINC000014712468 560728852 /nfs/dbraw/zinc/72/88/52/560728852.db2.gz ITLLUUWNLZPYEK-UHFFFAOYSA-N 1 1 414.462 2.925 50 5 HFBAMO O=C(C1CCN(c2ccc([N+](=O)[O-])cn2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020649907 568639170 /nfs/dbraw/zinc/63/91/70/568639170.db2.gz KDILOVSCIQSSHX-UHFFFAOYSA-N 1 1 409.490 2.551 50 5 HFBAMO O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000063110731 568824428 /nfs/dbraw/zinc/82/44/28/568824428.db2.gz AGBMABXDVFVTEF-SFHVURJKSA-N 1 1 400.410 2.646 50 5 HFBAMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058343991 568912840 /nfs/dbraw/zinc/91/28/40/568912840.db2.gz RVPGNXPDAMQBRN-SFHVURJKSA-N 1 1 407.430 2.778 50 5 HFBAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058343991 568912842 /nfs/dbraw/zinc/91/28/42/568912842.db2.gz RVPGNXPDAMQBRN-SFHVURJKSA-N 1 1 407.430 2.778 50 5 HFBAMO C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1CC(C)(C)O ZINC000170602685 569243724 /nfs/dbraw/zinc/24/37/24/569243724.db2.gz KCIGJJRRWUFEKY-ZDUSSCGKSA-N 1 1 404.492 2.636 50 5 HFBAMO C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1CC(C)(C)O ZINC000170602685 569243726 /nfs/dbraw/zinc/24/37/26/569243726.db2.gz KCIGJJRRWUFEKY-ZDUSSCGKSA-N 1 1 404.492 2.636 50 5 HFBAMO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000072273519 558699206 /nfs/dbraw/zinc/69/92/06/558699206.db2.gz FPBMTYIIUCTFCY-MRXNPFEDSA-N 1 1 410.540 2.960 50 5 HFBAMO O=[N+]([O-])c1ccc(-c2ncn(CN3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)n2)cc1 ZINC000029500586 568827094 /nfs/dbraw/zinc/82/70/94/568827094.db2.gz YKVONTOJYXRPHE-UHFFFAOYSA-N 1 1 420.473 2.564 50 5 HFBAMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000048345068 568440946 /nfs/dbraw/zinc/44/09/46/568440946.db2.gz FPUDHOJMTCQBRF-OAHLLOKOSA-N 1 1 408.524 2.808 50 5 HFBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225925 568494448 /nfs/dbraw/zinc/49/44/48/568494448.db2.gz NPMXSLWGWRMKJN-ZDUSSCGKSA-N 1 1 401.419 2.834 50 5 HFBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225925 568494451 /nfs/dbraw/zinc/49/44/51/568494451.db2.gz NPMXSLWGWRMKJN-ZDUSSCGKSA-N 1 1 401.419 2.834 50 5 HFBAMO O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCO)CC1 ZINC000020387293 568602323 /nfs/dbraw/zinc/60/23/23/568602323.db2.gz DAOXDOQCNGVGIA-UHFFFAOYSA-N 1 1 404.854 2.615 50 5 HFBAMO O=C(CC[NH+]1CCOCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020624538 568638289 /nfs/dbraw/zinc/63/82/89/568638289.db2.gz ASEZCMLGCJGZJK-OAQYLSRUSA-N 1 1 408.458 2.995 50 5 HFBAMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000023181854 559031614 /nfs/dbraw/zinc/03/16/14/559031614.db2.gz VZCOZVGQCRJLJL-OKILXGFUSA-N 1 1 409.483 2.620 50 5 HFBAMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000023181854 559031616 /nfs/dbraw/zinc/03/16/16/559031616.db2.gz VZCOZVGQCRJLJL-OKILXGFUSA-N 1 1 409.483 2.620 50 5 HFBAMO O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000021867045 568755079 /nfs/dbraw/zinc/75/50/79/568755079.db2.gz UVGRFRXYXWMCLI-UHFFFAOYSA-N 1 1 417.849 2.749 50 5 HFBAMO COc1ccc(NC(=O)NCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000031794271 568931505 /nfs/dbraw/zinc/93/15/05/568931505.db2.gz DDKSHDYHBQKUCH-HXUWFJFHSA-N 1 1 413.478 2.714 50 5 HFBAMO CCOC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000032459145 520517171 /nfs/dbraw/zinc/51/71/71/520517171.db2.gz LJLIJZXNGHHLPB-BIENJYKASA-N 1 1 416.478 2.744 50 5 HFBAMO O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104916095 560856516 /nfs/dbraw/zinc/85/65/16/560856516.db2.gz BQFUUWIRERBTNI-RBBKRZOGSA-N 1 1 406.486 2.737 50 5 HFBAMO CC1CCN(c2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1 ZINC000020390230 568603740 /nfs/dbraw/zinc/60/37/40/568603740.db2.gz ZOOKHPLZRCLMQT-UHFFFAOYSA-N 1 1 411.510 2.526 50 5 HFBAMO O=[N+]([O-])c1ccc(-c2ncn(CN3CC[NH+](CCOc4ccccc4)CC3)n2)cc1 ZINC000029499748 568827150 /nfs/dbraw/zinc/82/71/50/568827150.db2.gz YTVMIBBSKYAUBR-UHFFFAOYSA-N 1 1 408.462 2.507 50 5 HFBAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000015838318 569013681 /nfs/dbraw/zinc/01/36/81/569013681.db2.gz ASPAVVGQAISSMU-UHFFFAOYSA-N 1 1 410.478 2.646 50 5 HFBAMO O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012977944 569042440 /nfs/dbraw/zinc/04/24/40/569042440.db2.gz NOWFKLITHISQJZ-UHFFFAOYSA-N 1 1 411.886 2.778 50 5 HFBAMO Cc1ccccc1OCCN(C)C(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000012527335 132361862 /nfs/dbraw/zinc/36/18/62/132361862.db2.gz IKULMKZYXJAJMP-UHFFFAOYSA-N 1 1 412.490 2.806 50 5 HFBAMO Cc1c(O[C@@H](C)C(=O)NCCC[NH+]2CCOCC2)ccc2c3ccccc3c(=O)oc12 ZINC000020547635 525883980 /nfs/dbraw/zinc/88/39/80/525883980.db2.gz FOVGOPFABUOGJL-KRWDZBQOSA-N 1 1 424.497 2.860 50 5 HFBAMO CO[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082004 559049021 /nfs/dbraw/zinc/04/90/21/559049021.db2.gz NLIMULGZCVRILZ-HOTGVXAUSA-N 1 1 409.483 2.978 50 5 HFBAMO CO[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082004 559049023 /nfs/dbraw/zinc/04/90/23/559049023.db2.gz NLIMULGZCVRILZ-HOTGVXAUSA-N 1 1 409.483 2.978 50 5 HFBAMO CO[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082005 559049082 /nfs/dbraw/zinc/04/90/82/559049082.db2.gz NLIMULGZCVRILZ-CVEARBPZSA-N 1 1 409.483 2.978 50 5 HFBAMO CO[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082005 559049083 /nfs/dbraw/zinc/04/90/83/559049083.db2.gz NLIMULGZCVRILZ-CVEARBPZSA-N 1 1 409.483 2.978 50 5 HFBAMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN(c3cncc4ccccc43)CC2)c1 ZINC000225572682 568774466 /nfs/dbraw/zinc/77/44/66/568774466.db2.gz KVSWNKMBEUVVEF-LJQANCHMSA-N 1 1 408.458 2.705 50 5 HFBAMO O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000230127590 568849610 /nfs/dbraw/zinc/84/96/10/568849610.db2.gz ITKNGRNWIZTUFD-IFMALSPDSA-N 1 1 424.476 2.876 50 5 HFBAMO Cc1cc(C(=O)O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000016221189 569029960 /nfs/dbraw/zinc/02/99/60/569029960.db2.gz UWOPBPMUIBMBHM-KRWDZBQOSA-N 1 1 411.458 2.793 50 5 HFBAMO CC(C)NC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000040120738 571176606 /nfs/dbraw/zinc/17/66/06/571176606.db2.gz DRMLSKUONQEJRH-UHFFFAOYSA-N 1 1 402.520 2.966 50 5 HFBAMO C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)NCCC[NH+]1CCOCC1 ZINC000020548031 525933682 /nfs/dbraw/zinc/93/36/82/525933682.db2.gz WBFKBRNMDATHIN-MRXNPFEDSA-N 1 1 410.470 2.552 50 5 HFBAMO C[C@H]1CCCN(c2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 ZINC000020393050 558359264 /nfs/dbraw/zinc/35/92/64/558359264.db2.gz GTUAUSUZZXTNQS-INIZCTEOSA-N 1 1 411.510 2.526 50 5 HFBAMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000023181858 559031689 /nfs/dbraw/zinc/03/16/89/559031689.db2.gz VZCOZVGQCRJLJL-KBPBESRZSA-N 1 1 409.483 2.620 50 5 HFBAMO O=C(CC[NH+]1CCOCC1)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020624541 568638366 /nfs/dbraw/zinc/63/83/66/568638366.db2.gz ASEZCMLGCJGZJK-NRFANRHFSA-N 1 1 408.458 2.995 50 5 HFBAMO C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000054147650 569059848 /nfs/dbraw/zinc/05/98/48/569059848.db2.gz WDNKTSCSAZDHDZ-INIZCTEOSA-N 1 1 411.510 2.526 50 5 HFBAMO CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681792 569127749 /nfs/dbraw/zinc/12/77/49/569127749.db2.gz FBQSPXWNFIGBIB-FPOVZHCZSA-N 1 1 400.523 2.973 50 5 HFBAMO CC[NH+]1CCN(c2cc(N3CCN(C(=O)C(C)(C)C)CC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004983809 132297825 /nfs/dbraw/zinc/29/78/25/132297825.db2.gz QSRFSRLSXFVGIL-UHFFFAOYSA-N 1 1 421.517 2.571 50 5 HFBAMO O=C(CC[NH+]1CCOCC1)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020057523 526490293 /nfs/dbraw/zinc/49/02/93/526490293.db2.gz XYVMWNAIOQDKGQ-NRFANRHFSA-N 1 1 408.458 2.995 50 5 HFBAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004724445 558922912 /nfs/dbraw/zinc/92/29/12/558922912.db2.gz GKAMXFKRFCEGIM-UHFFFAOYSA-N 1 1 411.487 2.961 50 5 HFBAMO CO[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082003 559049059 /nfs/dbraw/zinc/04/90/59/559049059.db2.gz NLIMULGZCVRILZ-HZPDHXFCSA-N 1 1 409.483 2.978 50 5 HFBAMO CO[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082003 559049061 /nfs/dbraw/zinc/04/90/61/559049061.db2.gz NLIMULGZCVRILZ-HZPDHXFCSA-N 1 1 409.483 2.978 50 5 HFBAMO Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000020357663 568599732 /nfs/dbraw/zinc/59/97/32/568599732.db2.gz HGUCEZYESSCDDH-UHFFFAOYSA-N 1 1 411.510 2.670 50 5 HFBAMO NC(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c([N+](=O)[O-])c1 ZINC000096578140 568761373 /nfs/dbraw/zinc/76/13/73/568761373.db2.gz RXWGFMDSAAXSDT-UHFFFAOYSA-N 1 1 423.395 2.820 50 5 HFBAMO NC(=O)c1ccc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c([N+](=O)[O-])c1 ZINC000096578140 568761375 /nfs/dbraw/zinc/76/13/75/568761375.db2.gz RXWGFMDSAAXSDT-UHFFFAOYSA-N 1 1 423.395 2.820 50 5 HFBAMO O=C1CCCC(=O)N1c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000058102159 568886183 /nfs/dbraw/zinc/88/61/83/568886183.db2.gz JXJGGRZMGZMTBJ-UHFFFAOYSA-N 1 1 408.458 2.961 50 5 HFBAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058343990 568912852 /nfs/dbraw/zinc/91/28/52/568912852.db2.gz RVPGNXPDAMQBRN-GOSISDBHSA-N 1 1 407.430 2.778 50 5 HFBAMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058343990 568912854 /nfs/dbraw/zinc/91/28/54/568912854.db2.gz RVPGNXPDAMQBRN-GOSISDBHSA-N 1 1 407.430 2.778 50 5 HFBAMO O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678414 569126723 /nfs/dbraw/zinc/12/67/23/569126723.db2.gz UFGBLJSUQVPNNM-GGAORHGYSA-N 1 1 420.513 2.984 50 5 HFBAMO C[NH+]1CCN(C(=O)CN2c3ccc([N+](=O)[O-])cc3Oc3nc4ccccc4nc32)CC1 ZINC000008716996 571105217 /nfs/dbraw/zinc/10/52/17/571105217.db2.gz WYMGUEPJCDOCFC-UHFFFAOYSA-N 1 1 420.429 2.556 50 5 HFBAMO CNc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248021144 559259957 /nfs/dbraw/zinc/25/99/57/559259957.db2.gz HZRRYHMFRFAACV-NRFANRHFSA-N 1 1 411.506 2.745 50 5 HFBAMO CNc1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248021144 559259958 /nfs/dbraw/zinc/25/99/58/559259958.db2.gz HZRRYHMFRFAACV-NRFANRHFSA-N 1 1 411.506 2.745 50 5 HFBAMO CNc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248021144 559259959 /nfs/dbraw/zinc/25/99/59/559259959.db2.gz HZRRYHMFRFAACV-NRFANRHFSA-N 1 1 411.506 2.745 50 5 HFBAMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000020386260 568602305 /nfs/dbraw/zinc/60/23/05/568602305.db2.gz YNRWEGUOKVAIEQ-UHFFFAOYSA-N 1 1 404.854 2.615 50 5 HFBAMO CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681791 569127821 /nfs/dbraw/zinc/12/78/21/569127821.db2.gz FBQSPXWNFIGBIB-CTNGQTDRSA-N 1 1 400.523 2.973 50 5 HFBAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000040111497 571169508 /nfs/dbraw/zinc/16/95/08/571169508.db2.gz LKAVLRHBOJZNBW-UHFFFAOYSA-N 1 1 416.865 2.566 50 5 HFBAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000023192435 559032101 /nfs/dbraw/zinc/03/21/01/559032101.db2.gz CFMHPTKVBMGYSU-SFHVURJKSA-N 1 1 414.853 2.862 50 5 HFBAMO COc1ccc(NC(=O)c2ccc(NCCC[NH+]3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000020295897 568597543 /nfs/dbraw/zinc/59/75/43/568597543.db2.gz IUTKXAVITFYAKK-UHFFFAOYSA-N 1 1 414.462 2.990 50 5 HFBAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000067286289 571064395 /nfs/dbraw/zinc/06/43/95/571064395.db2.gz DXUIZLXWTAXJHR-GOSISDBHSA-N 1 1 402.451 2.642 50 5 HFBAMO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000032845865 526656843 /nfs/dbraw/zinc/65/68/43/526656843.db2.gz JJTBGDAUSNBDLY-UHFFFAOYSA-N 1 1 405.458 2.781 50 5 HFBAMO C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000054147648 569059867 /nfs/dbraw/zinc/05/98/67/569059867.db2.gz WDNKTSCSAZDHDZ-MRXNPFEDSA-N 1 1 411.510 2.526 50 5 HFBAMO C[N@@H+]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@@H](c2ccccc2)C1 ZINC000045864740 523869671 /nfs/dbraw/zinc/86/96/71/523869671.db2.gz RTJUMNDMZPJJGH-LJQANCHMSA-N 1 1 424.457 2.798 50 5 HFBAMO C[N@H+]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@@H](c2ccccc2)C1 ZINC000045864740 523869678 /nfs/dbraw/zinc/86/96/78/523869678.db2.gz RTJUMNDMZPJJGH-LJQANCHMSA-N 1 1 424.457 2.798 50 5 HFBAMO O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000247379018 559039627 /nfs/dbraw/zinc/03/96/27/559039627.db2.gz ITKNGRNWIZTUFD-RBBKRZOGSA-N 1 1 424.476 2.876 50 5 HFBAMO Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ncccc1[C@H]1CCC[N@@H+]1C ZINC000001102692 568770145 /nfs/dbraw/zinc/77/01/45/568770145.db2.gz GYSBPRNPMCEKJM-GFCCVEGCSA-N 1 1 423.271 2.663 50 5 HFBAMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000058138698 568890545 /nfs/dbraw/zinc/89/05/45/568890545.db2.gz QHTCBSGSRWMMLL-UHFFFAOYSA-N 1 1 424.486 2.977 50 5 HFBAMO Nc1nc(N2CCCCCC2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000054147592 569059873 /nfs/dbraw/zinc/05/98/73/569059873.db2.gz UEEUPVDZIKDTER-UHFFFAOYSA-N 1 1 411.510 2.670 50 5 HFBAMO CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681874 569127943 /nfs/dbraw/zinc/12/79/43/569127943.db2.gz YNIOLZUUIMRWHV-CTNGQTDRSA-N 1 1 412.465 2.733 50 5 HFBAMO CCOC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000055226456 569395022 /nfs/dbraw/zinc/39/50/22/569395022.db2.gz LJLIJZXNGHHLPB-KSMMKXTCSA-N 1 1 416.478 2.744 50 5 HFBAMO O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104916091 560856497 /nfs/dbraw/zinc/85/64/97/560856497.db2.gz BQFUUWIRERBTNI-IFMALSPDSA-N 1 1 406.486 2.737 50 5 HFBAMO CC1(C)CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000095351030 568600986 /nfs/dbraw/zinc/60/09/86/568600986.db2.gz ZHKMDQZVZPKPEC-UHFFFAOYSA-N 1 1 424.501 2.838 50 5 HFBAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1)OCCCO4 ZINC000012549544 568852551 /nfs/dbraw/zinc/85/25/51/568852551.db2.gz SQDNSRTURGLERA-MRXNPFEDSA-N 1 1 414.809 2.856 50 5 HFBAMO Cc1cc(N2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)nc(C(C)C)n1 ZINC000026337973 569031369 /nfs/dbraw/zinc/03/13/69/569031369.db2.gz SCOXLAOQHMFOGK-UHFFFAOYSA-N 1 1 412.494 2.967 50 5 HFBAMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000032769116 527391734 /nfs/dbraw/zinc/39/17/34/527391734.db2.gz VMCMRLXAJNQLMR-IEBWSBKVSA-N 1 1 400.431 2.943 50 5 HFBAMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058171525 568896277 /nfs/dbraw/zinc/89/62/77/568896277.db2.gz CAWVCNZEEVFYNT-XJKSGUPXSA-N 1 1 406.483 2.961 50 5 HFBAMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058171525 568896279 /nfs/dbraw/zinc/89/62/79/568896279.db2.gz CAWVCNZEEVFYNT-XJKSGUPXSA-N 1 1 406.483 2.961 50 5 HFBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012749939 568937802 /nfs/dbraw/zinc/93/78/02/568937802.db2.gz HNGAYTLLHNORPC-AWEZNQCLSA-N 1 1 412.446 2.978 50 5 HFBAMO O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000035870216 569063972 /nfs/dbraw/zinc/06/39/72/569063972.db2.gz BQFUUWIRERBTNI-UNMCSNQZSA-N 1 1 406.486 2.737 50 5 HFBAMO C[C@@H](CCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000054991892 569374563 /nfs/dbraw/zinc/37/45/63/569374563.db2.gz JLKRBYIZOKOPCP-KRWDZBQOSA-N 1 1 403.504 2.922 50 5 HFBAMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000012993033 569406199 /nfs/dbraw/zinc/40/61/99/569406199.db2.gz ZVAYNQMDLWETMO-UHFFFAOYSA-N 1 1 419.503 2.522 50 5 HFBAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccn1 ZINC000069453964 571228218 /nfs/dbraw/zinc/22/82/18/571228218.db2.gz YCYHKBJGFNHKBQ-UHFFFAOYSA-N 1 1 403.402 2.600 50 5 HFBAMO COc1ccc(NC(=O)NCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000034863415 568829775 /nfs/dbraw/zinc/82/97/75/568829775.db2.gz DDKSHDYHBQKUCH-FQEVSTJZSA-N 1 1 413.478 2.714 50 5 HFBAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1)OCCCO4 ZINC000012549543 568852566 /nfs/dbraw/zinc/85/25/66/568852566.db2.gz SQDNSRTURGLERA-INIZCTEOSA-N 1 1 414.809 2.856 50 5 HFBAMO Nc1nc(NCc2ccccc2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000054147607 569059900 /nfs/dbraw/zinc/05/99/00/569059900.db2.gz SHLGRJCPQSNGJV-UHFFFAOYSA-N 1 1 419.489 2.901 50 5 HFBAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000067286292 571064425 /nfs/dbraw/zinc/06/44/25/571064425.db2.gz DXUIZLXWTAXJHR-SFHVURJKSA-N 1 1 402.451 2.642 50 5 HFBAMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000040080553 571155754 /nfs/dbraw/zinc/15/57/54/571155754.db2.gz APMQBLCXLLMRAH-MRXNPFEDSA-N 1 1 424.501 2.666 50 5 HFBAMO O=C(NCc1ccccc1)C1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000029500441 568827116 /nfs/dbraw/zinc/82/71/16/568827116.db2.gz QCDJUSHHFHRWJA-UHFFFAOYSA-N 1 1 420.473 2.839 50 5 HFBAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1)OCCCO4 ZINC000012549550 568852549 /nfs/dbraw/zinc/85/25/49/568852549.db2.gz KQFYMMHPMUHOBE-MRXNPFEDSA-N 1 1 414.809 2.856 50 5 HFBAMO CNc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000029999896 568855101 /nfs/dbraw/zinc/85/51/01/568855101.db2.gz HZRRYHMFRFAACV-OAQYLSRUSA-N 1 1 411.506 2.745 50 5 HFBAMO CNc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000029999896 568855107 /nfs/dbraw/zinc/85/51/07/568855107.db2.gz HZRRYHMFRFAACV-OAQYLSRUSA-N 1 1 411.506 2.745 50 5 HFBAMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058171524 568896381 /nfs/dbraw/zinc/89/63/81/568896381.db2.gz CAWVCNZEEVFYNT-CJNGLKHVSA-N 1 1 406.483 2.961 50 5 HFBAMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058171524 568896384 /nfs/dbraw/zinc/89/63/84/568896384.db2.gz CAWVCNZEEVFYNT-CJNGLKHVSA-N 1 1 406.483 2.961 50 5 HFBAMO CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035894846 569065120 /nfs/dbraw/zinc/06/51/20/569065120.db2.gz FBQSPXWNFIGBIB-PZJWPPBQSA-N 1 1 400.523 2.973 50 5 HFBAMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000040080551 571155742 /nfs/dbraw/zinc/15/57/42/571155742.db2.gz APMQBLCXLLMRAH-INIZCTEOSA-N 1 1 424.501 2.666 50 5 HFBAMO O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104915166 560856626 /nfs/dbraw/zinc/85/66/26/560856626.db2.gz UFGBLJSUQVPNNM-JTHBVZDNSA-N 1 1 420.513 2.984 50 5 HFBAMO O=C(c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020149719 568590392 /nfs/dbraw/zinc/59/03/92/568590392.db2.gz MZGXDQUNEIZAOD-UHFFFAOYSA-N 1 1 405.458 2.798 50 5 HFBAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000015838320 569013724 /nfs/dbraw/zinc/01/37/24/569013724.db2.gz HWRXXJAGFQHVAH-UHFFFAOYSA-N 1 1 410.478 2.646 50 5 HFBAMO CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870392 569063943 /nfs/dbraw/zinc/06/39/43/569063943.db2.gz YNIOLZUUIMRWHV-PZJWPPBQSA-N 1 1 412.465 2.733 50 5 HFBAMO CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681875 569127832 /nfs/dbraw/zinc/12/78/32/569127832.db2.gz YNIOLZUUIMRWHV-FPOVZHCZSA-N 1 1 412.465 2.733 50 5 HFBAMO C[C@@H]1C[C@H](C)C[N@H+](CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 ZINC000036397886 569171070 /nfs/dbraw/zinc/17/10/70/569171070.db2.gz SOKHEIFVUHIISD-IYBDPMFKSA-N 1 1 410.540 2.769 50 5 HFBAMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000242038558 569314670 /nfs/dbraw/zinc/31/46/70/569314670.db2.gz VMCMRLXAJNQLMR-HKUYNNGSSA-N 1 1 400.431 2.943 50 5 HFBAMO Cn1c(CC[NH+]2CCN(C)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000002232495 569319980 /nfs/dbraw/zinc/31/99/80/569319980.db2.gz PIWVOWCIJVGSDU-UHFFFAOYSA-N 1 1 422.489 2.524 50 5 HFBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012749932 568937683 /nfs/dbraw/zinc/93/76/83/568937683.db2.gz HNGAYTLLHNORPC-CQSZACIVSA-N 1 1 412.446 2.978 50 5 HFBAMO Cc1cc(C(=O)O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000016221188 569030002 /nfs/dbraw/zinc/03/00/02/569030002.db2.gz UWOPBPMUIBMBHM-QGZVFWFLSA-N 1 1 411.458 2.793 50 5 HFBAMO CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870391 569063924 /nfs/dbraw/zinc/06/39/24/569063924.db2.gz YNIOLZUUIMRWHV-TZIWHRDSSA-N 1 1 412.465 2.733 50 5 HFBAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000055226455 569395036 /nfs/dbraw/zinc/39/50/36/569395036.db2.gz BIVGJUAVKZJSRQ-SFHVURJKSA-N 1 1 402.451 2.642 50 5 HFBAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000015671199 568961636 /nfs/dbraw/zinc/96/16/36/568961636.db2.gz OPZOVMYBBAYOKP-UHFFFAOYSA-N 1 1 410.478 2.646 50 5 HFBAMO C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1CC(C)(C)O ZINC000170602684 569243766 /nfs/dbraw/zinc/24/37/66/569243766.db2.gz KCIGJJRRWUFEKY-CYBMUJFWSA-N 1 1 404.492 2.636 50 5 HFBAMO C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1CC(C)(C)O ZINC000170602684 569243767 /nfs/dbraw/zinc/24/37/67/569243767.db2.gz KCIGJJRRWUFEKY-CYBMUJFWSA-N 1 1 404.492 2.636 50 5 HFBAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000089977276 569270454 /nfs/dbraw/zinc/27/04/54/569270454.db2.gz VEIWXFDGSDHWNG-CQSZACIVSA-N 1 1 401.419 2.564 50 5 HFBAMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000242038559 569314584 /nfs/dbraw/zinc/31/45/84/569314584.db2.gz VMCMRLXAJNQLMR-MJGOQNOKSA-N 1 1 400.431 2.943 50 5 HFBAMO CCOC(=O)c1cc(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc([N+](=O)[O-])c1 ZINC000040156077 571203132 /nfs/dbraw/zinc/20/31/32/571203132.db2.gz VVTDBWSOHPPOJN-UHFFFAOYSA-N 1 1 409.402 2.591 50 5 HFBAMO CN(C(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000024762386 523815935 /nfs/dbraw/zinc/81/59/35/523815935.db2.gz YMHPASDJPXULPO-UHFFFAOYSA-N 1 1 410.474 2.586 50 5 HFBAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000089977277 569270473 /nfs/dbraw/zinc/27/04/73/569270473.db2.gz VEIWXFDGSDHWNG-AWEZNQCLSA-N 1 1 401.419 2.564 50 5 HFBAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccn1 ZINC000040154741 571202027 /nfs/dbraw/zinc/20/20/27/571202027.db2.gz XVEDEDXMMMKLIY-UHFFFAOYSA-N 1 1 403.402 2.600 50 5 HFBAMO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000023192439 559032096 /nfs/dbraw/zinc/03/20/96/559032096.db2.gz CFMHPTKVBMGYSU-GOSISDBHSA-N 1 1 414.853 2.862 50 5 HFBAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000032926761 526658305 /nfs/dbraw/zinc/65/83/05/526658305.db2.gz NQLJKFAOHOXQPZ-UHFFFAOYSA-N 1 1 421.457 2.543 50 5 HFBAMO CO[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082002 559049037 /nfs/dbraw/zinc/04/90/37/559049037.db2.gz NLIMULGZCVRILZ-JKSUJKDBSA-N 1 1 409.483 2.978 50 5 HFBAMO CO[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082002 559049039 /nfs/dbraw/zinc/04/90/39/559049039.db2.gz NLIMULGZCVRILZ-JKSUJKDBSA-N 1 1 409.483 2.978 50 5 HFBAMO O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000104915270 560856673 /nfs/dbraw/zinc/85/66/73/560856673.db2.gz ITKNGRNWIZTUFD-IRLDBZIGSA-N 1 1 424.476 2.876 50 5 HFBAMO CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035894844 569065125 /nfs/dbraw/zinc/06/51/25/569065125.db2.gz FBQSPXWNFIGBIB-TZIWHRDSSA-N 1 1 400.523 2.973 50 5 HFBAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000055226454 569395010 /nfs/dbraw/zinc/39/50/10/569395010.db2.gz BIVGJUAVKZJSRQ-GOSISDBHSA-N 1 1 402.451 2.642 50 5 HFBAMO COCc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000079073003 569426846 /nfs/dbraw/zinc/42/68/46/569426846.db2.gz HHUVZQBJWIRWCY-UHFFFAOYSA-N 1 1 406.483 2.898 50 5 HFBAMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000032769117 527391027 /nfs/dbraw/zinc/39/10/27/527391027.db2.gz VMCMRLXAJNQLMR-PKOBYXMFSA-N 1 1 400.431 2.943 50 5 HFBAMO CCOC(=O)N1CCN(c2cc(N3CC[NH+](CC)CC3)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000005027848 535778798 /nfs/dbraw/zinc/77/87/98/535778798.db2.gz VILROXNCRXPOMD-HNNXBMFYSA-N 1 1 423.489 2.543 50 5 HFBAMO Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000020441366 568607089 /nfs/dbraw/zinc/60/70/89/568607089.db2.gz HNTRQZZBIZSRRP-UHFFFAOYSA-N 1 1 419.489 2.901 50 5 HFBAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000015173952 568818492 /nfs/dbraw/zinc/81/84/92/568818492.db2.gz UAAURZNSNCLDNJ-UHFFFAOYSA-N 1 1 418.519 2.952 50 5 HFBAMO COC(=O)c1cc(N2CC[NH+](CCOc3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] ZINC000029345267 568824555 /nfs/dbraw/zinc/82/45/55/568824555.db2.gz XHPHMQAYQREHAZ-UHFFFAOYSA-N 1 1 415.446 2.591 50 5 HFBAMO O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677228 569125246 /nfs/dbraw/zinc/12/52/46/569125246.db2.gz BQFUUWIRERBTNI-IRLDBZIGSA-N 1 1 406.486 2.737 50 5 HFBAMO COc1cccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000000865129 568713746 /nfs/dbraw/zinc/71/37/46/568713746.db2.gz ZOPHRUFFEROWLT-UHFFFAOYSA-N 1 1 401.463 2.938 50 5 HFBAMO O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000063110730 568824437 /nfs/dbraw/zinc/82/44/37/568824437.db2.gz AGBMABXDVFVTEF-GOSISDBHSA-N 1 1 400.410 2.646 50 5 HFBAMO CC1CCN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)CC1 ZINC000054147641 569059875 /nfs/dbraw/zinc/05/98/75/569059875.db2.gz DUAUCJJZZKRNGK-UHFFFAOYSA-N 1 1 411.510 2.526 50 5 HFBAMO Cn1c(CC[NH+]2CCOCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000020503237 527048654 /nfs/dbraw/zinc/04/86/54/527048654.db2.gz ZXTWOHXAJZAERQ-UHFFFAOYSA-N 1 1 409.446 2.609 50 5 HFBAMO C[C@@H]1CCCN(c2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 ZINC000020393046 568603745 /nfs/dbraw/zinc/60/37/45/568603745.db2.gz GTUAUSUZZXTNQS-MRXNPFEDSA-N 1 1 411.510 2.526 50 5 HFBAMO O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035870393 569063940 /nfs/dbraw/zinc/06/39/40/569063940.db2.gz ITKNGRNWIZTUFD-UNMCSNQZSA-N 1 1 424.476 2.876 50 5 HFBAMO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000072273518 558699284 /nfs/dbraw/zinc/69/92/84/558699284.db2.gz FPBMTYIIUCTFCY-INIZCTEOSA-N 1 1 410.540 2.960 50 5 HFBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225926 568983285 /nfs/dbraw/zinc/98/32/85/568983285.db2.gz NPMXSLWGWRMKJN-CYBMUJFWSA-N 1 1 401.419 2.834 50 5 HFBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225926 568983287 /nfs/dbraw/zinc/98/32/87/568983287.db2.gz NPMXSLWGWRMKJN-CYBMUJFWSA-N 1 1 401.419 2.834 50 5 HFBAMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000078824960 569420817 /nfs/dbraw/zinc/42/08/17/569420817.db2.gz RJMNBONACNGXKG-HXUWFJFHSA-N 1 1 424.567 2.936 50 5 HFBAMO C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)NCCC[NH+]1CCOCC1 ZINC000020548033 525941015 /nfs/dbraw/zinc/94/10/15/525941015.db2.gz WBFKBRNMDATHIN-INIZCTEOSA-N 1 1 410.470 2.552 50 5 HFBAMO CCCCCC[N@H+](CCN1CCOCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072308251 559161373 /nfs/dbraw/zinc/16/13/73/559161373.db2.gz MDIACSQRPXTSFI-UHFFFAOYSA-N 1 1 422.526 2.756 50 5 HFBAMO CCCCCC[N@@H+](CCN1CCOCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072308251 559161375 /nfs/dbraw/zinc/16/13/75/559161375.db2.gz MDIACSQRPXTSFI-UHFFFAOYSA-N 1 1 422.526 2.756 50 5 HFBAMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(c3cncc4ccccc43)CC2)c1 ZINC000225572649 568774545 /nfs/dbraw/zinc/77/45/45/568774545.db2.gz KVSWNKMBEUVVEF-IBGZPJMESA-N 1 1 408.458 2.705 50 5 HFBAMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058171527 568896289 /nfs/dbraw/zinc/89/62/89/568896289.db2.gz CAWVCNZEEVFYNT-CZUORRHYSA-N 1 1 406.483 2.961 50 5 HFBAMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058171527 568896292 /nfs/dbraw/zinc/89/62/92/568896292.db2.gz CAWVCNZEEVFYNT-CZUORRHYSA-N 1 1 406.483 2.961 50 5 HFBAMO O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000035870221 569063934 /nfs/dbraw/zinc/06/39/34/569063934.db2.gz UFGBLJSUQVPNNM-GMAHTHKFSA-N 1 1 420.513 2.984 50 5 HFBAMO CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000253369947 569364576 /nfs/dbraw/zinc/36/45/76/569364576.db2.gz KJPLVBLDMVFXFT-ZWKOTPCHSA-N 1 1 424.567 2.553 50 5 HFBAMO CN(C1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000253369947 569364577 /nfs/dbraw/zinc/36/45/77/569364577.db2.gz KJPLVBLDMVFXFT-ZWKOTPCHSA-N 1 1 424.567 2.553 50 5 HFBAMO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](CCOc4ccccc4)CC3)n2)cc1 ZINC000047406652 560886730 /nfs/dbraw/zinc/88/67/30/560886730.db2.gz NRHYDDMBPLDILJ-UHFFFAOYSA-N 1 1 409.446 2.841 50 5 HFBAMO Cc1cccc(CNC(=O)C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000095941519 568661966 /nfs/dbraw/zinc/66/19/66/568661966.db2.gz NACGDZYXGONICA-UHFFFAOYSA-N 1 1 422.489 2.608 50 5 HFBAMO Cc1cccc(CNC(=O)C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000095941519 568661968 /nfs/dbraw/zinc/66/19/68/568661968.db2.gz NACGDZYXGONICA-UHFFFAOYSA-N 1 1 422.489 2.608 50 5 HFBAMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000078824951 569420799 /nfs/dbraw/zinc/42/07/99/569420799.db2.gz RJMNBONACNGXKG-FQEVSTJZSA-N 1 1 424.567 2.936 50 5 HFBAMO COc1ccc(OCC[NH+]2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000040105749 571166404 /nfs/dbraw/zinc/16/64/04/571166404.db2.gz QXXCYSPVTMAFKR-UHFFFAOYSA-N 1 1 401.463 2.679 50 5 HFBAMO CCCCC(=O)N1CCN(c2cc(N3CC[NH+](CC)CC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004998214 559225299 /nfs/dbraw/zinc/22/52/99/559225299.db2.gz JCRQFIUOLZAJLF-UHFFFAOYSA-N 1 1 421.517 2.715 50 5 HFBAMO O=C(CC[NH+]1CCOCC1)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020057521 568586794 /nfs/dbraw/zinc/58/67/94/568586794.db2.gz XYVMWNAIOQDKGQ-OAQYLSRUSA-N 1 1 408.458 2.995 50 5 HFBAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000015173463 568818590 /nfs/dbraw/zinc/81/85/90/568818590.db2.gz OTAZSWWCMQTMSB-UHFFFAOYSA-N 1 1 404.492 2.562 50 5 HFBAMO CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000170690747 569298591 /nfs/dbraw/zinc/29/85/91/569298591.db2.gz KJPLVBLDMVFXFT-MSOLQXFVSA-N 1 1 424.567 2.553 50 5 HFBAMO CN(C1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000170690747 569298593 /nfs/dbraw/zinc/29/85/93/569298593.db2.gz KJPLVBLDMVFXFT-MSOLQXFVSA-N 1 1 424.567 2.553 50 5 HFBAMO Cn1c(CC[NH+]2CCOCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000013206257 569410301 /nfs/dbraw/zinc/41/03/01/569410301.db2.gz KVMXBPAGKWMGBP-UHFFFAOYSA-N 1 1 409.446 2.609 50 5 HFBAMO O=C(CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)NCC1CC1 ZINC000040120734 571176598 /nfs/dbraw/zinc/17/65/98/571176598.db2.gz PQQDLSBCUTUURV-UHFFFAOYSA-N 1 1 414.531 2.967 50 5 HFBAMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000048345070 568440930 /nfs/dbraw/zinc/44/09/30/568440930.db2.gz FPUDHOJMTCQBRF-HNNXBMFYSA-N 1 1 408.524 2.808 50 5 HFBAMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000095976279 568673054 /nfs/dbraw/zinc/67/30/54/568673054.db2.gz DUFKOWJUIKOMKR-UHFFFAOYSA-N 1 1 404.511 2.504 50 5 HFBAMO CN(C(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000029117904 568820704 /nfs/dbraw/zinc/82/07/04/568820704.db2.gz TXUILQTYIBTJBR-UHFFFAOYSA-N 1 1 402.495 2.672 50 5 HFBAMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000241139490 569301823 /nfs/dbraw/zinc/30/18/23/569301823.db2.gz JRJIBSMVEMAQLM-UHFFFAOYSA-N 1 1 400.460 2.751 50 5 HFBAMO C[C@H](CCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000054991895 569374542 /nfs/dbraw/zinc/37/45/42/569374542.db2.gz JLKRBYIZOKOPCP-QGZVFWFLSA-N 1 1 403.504 2.922 50 5 HFBAMO COc1ccccc1N1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000027580347 569375205 /nfs/dbraw/zinc/37/52/05/569375205.db2.gz VUFVCFISWSAAIK-UHFFFAOYSA-N 1 1 412.490 2.934 50 5 HFBAMO Cn1c(CC[NH+]2CCN(C)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000002331685 569375935 /nfs/dbraw/zinc/37/59/35/569375935.db2.gz CEIJRMKCOXPVKP-UHFFFAOYSA-N 1 1 422.489 2.524 50 5 HFBAMO Cc1c(C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)cccc1[N+](=O)[O-] ZINC000078724175 569419977 /nfs/dbraw/zinc/41/99/77/569419977.db2.gz XPJKUXXPPIFGTB-UHFFFAOYSA-N 1 1 409.446 2.907 50 5 HFBAMO Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000008659876 571098533 /nfs/dbraw/zinc/09/85/33/571098533.db2.gz GYSBPRNPMCEKJM-LBPRGKRZSA-N 1 1 423.271 2.663 50 5 HFBAMO CCOC(=O)N1CCN(c2cc(N3CC[NH+](CC)CC3)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000005027847 535779060 /nfs/dbraw/zinc/77/90/60/535779060.db2.gz VILROXNCRXPOMD-OAHLLOKOSA-N 1 1 423.489 2.543 50 5 HFBAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1)OCCCO4 ZINC000012549548 568852547 /nfs/dbraw/zinc/85/25/47/568852547.db2.gz KQFYMMHPMUHOBE-INIZCTEOSA-N 1 1 414.809 2.856 50 5 HFBAMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058171523 568896329 /nfs/dbraw/zinc/89/63/29/568896329.db2.gz CAWVCNZEEVFYNT-BBRMVZONSA-N 1 1 406.483 2.961 50 5 HFBAMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058171523 568896332 /nfs/dbraw/zinc/89/63/32/568896332.db2.gz CAWVCNZEEVFYNT-BBRMVZONSA-N 1 1 406.483 2.961 50 5 HFBAMO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000016695342 569070553 /nfs/dbraw/zinc/07/05/53/569070553.db2.gz GLORUJOZHFZKLP-UHFFFAOYSA-N 1 1 411.458 2.990 50 5 HFBAMO C[N@@H+]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H](c2ccccc2)C1 ZINC000045864738 523869924 /nfs/dbraw/zinc/86/99/24/523869924.db2.gz RTJUMNDMZPJJGH-IBGZPJMESA-N 1 1 424.457 2.798 50 5 HFBAMO C[N@H+]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H](c2ccccc2)C1 ZINC000045864738 523869932 /nfs/dbraw/zinc/86/99/32/523869932.db2.gz RTJUMNDMZPJJGH-IBGZPJMESA-N 1 1 424.457 2.798 50 5 HFBAMO Cc1c(O[C@H](C)C(=O)NCCC[NH+]2CCOCC2)ccc2c3ccccc3c(=O)oc12 ZINC000020547630 525882667 /nfs/dbraw/zinc/88/26/67/525882667.db2.gz FOVGOPFABUOGJL-QGZVFWFLSA-N 1 1 424.497 2.860 50 5 HFBAMO O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104915164 560856634 /nfs/dbraw/zinc/85/66/34/560856634.db2.gz UFGBLJSUQVPNNM-FYYLOGMGSA-N 1 1 420.513 2.984 50 5 HFBAMO COC(=O)c1cc(N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000029376454 568825050 /nfs/dbraw/zinc/82/50/50/568825050.db2.gz NOABXCISPPQEBX-UHFFFAOYSA-N 1 1 415.446 2.721 50 5 HFBAMO CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000170690751 569298603 /nfs/dbraw/zinc/29/86/03/569298603.db2.gz KJPLVBLDMVFXFT-ROUUACIJSA-N 1 1 424.567 2.553 50 5 HFBAMO CN(C1CC[NH+](C)CC1)[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000170690751 569298605 /nfs/dbraw/zinc/29/86/05/569298605.db2.gz KJPLVBLDMVFXFT-ROUUACIJSA-N 1 1 424.567 2.553 50 5 HFBAMO CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000253369946 569364561 /nfs/dbraw/zinc/36/45/61/569364561.db2.gz KJPLVBLDMVFXFT-QZTJIDSGSA-N 1 1 424.567 2.553 50 5 HFBAMO CN(C1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000253369946 569364562 /nfs/dbraw/zinc/36/45/62/569364562.db2.gz KJPLVBLDMVFXFT-QZTJIDSGSA-N 1 1 424.567 2.553 50 5 HFBAMO