smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261675618 209466556 /nfs/dbraw/zinc/46/65/56/209466556.db2.gz CEVVFGNCNFNJSP-HIFRSBDPSA-N 2 1 350.423 0.372 20 5 FCBDMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415082093 245347207 /nfs/dbraw/zinc/34/72/07/245347207.db2.gz NUGBMBAOCVUFOA-QWHCGFSZSA-N 2 1 356.448 0.993 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000376493297 489743040 /nfs/dbraw/zinc/74/30/40/489743040.db2.gz VQGBPHJCOLVTLP-VNQPRFMTSA-N 2 1 350.419 0.940 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000376493297 489743045 /nfs/dbraw/zinc/74/30/45/489743045.db2.gz VQGBPHJCOLVTLP-VNQPRFMTSA-N 2 1 350.419 0.940 20 5 FCBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430606475 489751650 /nfs/dbraw/zinc/75/16/50/489751650.db2.gz VWQMJSAJBMGFCR-STQMWFEESA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430606475 489751654 /nfs/dbraw/zinc/75/16/54/489751654.db2.gz VWQMJSAJBMGFCR-STQMWFEESA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642353 489760280 /nfs/dbraw/zinc/76/02/80/489760280.db2.gz JZEVVFWPDNOWQW-OLZOCXBDSA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642353 489760284 /nfs/dbraw/zinc/76/02/84/489760284.db2.gz JZEVVFWPDNOWQW-OLZOCXBDSA-N 2 1 363.418 0.709 20 5 FCBDMP O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420321770 489963039 /nfs/dbraw/zinc/96/30/39/489963039.db2.gz RQKZQPNWGDRCKR-CQSZACIVSA-N 2 1 368.459 0.901 20 5 FCBDMP O=C1[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420352632 489966220 /nfs/dbraw/zinc/96/62/20/489966220.db2.gz ZIQDDHXOLZUNSM-SJORKVTESA-N 2 1 359.430 0.680 20 5 FCBDMP O=C1[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420352632 489966222 /nfs/dbraw/zinc/96/62/22/489966222.db2.gz ZIQDDHXOLZUNSM-SJORKVTESA-N 2 1 359.430 0.680 20 5 FCBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000533362406 490222682 /nfs/dbraw/zinc/22/26/82/490222682.db2.gz RZLXPWWQZBAFKS-UHFFFAOYSA-N 2 1 372.385 0.542 20 5 FCBDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000575797448 491561190 /nfs/dbraw/zinc/56/11/90/491561190.db2.gz WEQJUOYYZGLYQW-INIZCTEOSA-N 2 1 355.439 0.631 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923365022 667828150 /nfs/dbraw/zinc/82/81/50/667828150.db2.gz FGPWHQDJMGOABQ-CABCVRRESA-N 2 1 350.419 0.314 20 5 FCBDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004487 668970020 /nfs/dbraw/zinc/97/00/20/668970020.db2.gz POVRBKSRGHQNAT-GOEBONIOSA-N 2 1 350.419 0.805 20 5 FCBDMP C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCN1CC[NH2+]CC1 ZINC000592472105 1196625908 /nfs/dbraw/zinc/62/59/08/1196625908.db2.gz LUVQIPNQFFHJKL-UHFFFAOYSA-N 2 1 363.418 0.730 20 5 FCBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC[NH+](CCO)CCO)c1F ZINC001173176877 1206266303 /nfs/dbraw/zinc/26/63/03/1206266303.db2.gz NDKDDKRSPNFDNJ-CYBMUJFWSA-N 2 1 373.425 0.940 20 5 FCBDMP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000923520857 1245726920 /nfs/dbraw/zinc/72/69/20/1245726920.db2.gz PXLVUPBMCBUPES-JKSUJKDBSA-N 2 1 373.457 0.785 20 5 FCBDMP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000923520857 1245726929 /nfs/dbraw/zinc/72/69/29/1245726929.db2.gz PXLVUPBMCBUPES-JKSUJKDBSA-N 2 1 373.457 0.785 20 5 FCBDMP C[N+](C)(C)C[C@H](O)CC(=O)OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224956750 857009730 /nfs/dbraw/zinc/00/97/30/857009730.db2.gz QYEXEOGPFBPVNE-QZTJIDSGSA-N 2 1 351.467 0.888 20 5 FCBDMP C[N+](C)(C)C[C@H](O)CC(=O)OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224956750 857009741 /nfs/dbraw/zinc/00/97/41/857009741.db2.gz QYEXEOGPFBPVNE-QZTJIDSGSA-N 2 1 351.467 0.888 20 5 FCBDMP COc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001246559134 857584695 /nfs/dbraw/zinc/58/46/95/857584695.db2.gz NTWFWUHTXPSMLO-GDBMZVCRSA-N 2 1 350.419 0.966 20 5 FCBDMP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261851671 488538656 /nfs/dbraw/zinc/53/86/56/488538656.db2.gz MLIBEWQCDOPWKN-QWHCGFSZSA-N 2 1 350.423 0.409 20 5 FCBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261851671 488538657 /nfs/dbraw/zinc/53/86/57/488538657.db2.gz MLIBEWQCDOPWKN-QWHCGFSZSA-N 2 1 350.423 0.409 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430617913 489754982 /nfs/dbraw/zinc/75/49/82/489754982.db2.gz PYUROTGRWWCSBK-ZDUSSCGKSA-N 2 1 363.418 0.629 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430617913 489754984 /nfs/dbraw/zinc/75/49/84/489754984.db2.gz PYUROTGRWWCSBK-ZDUSSCGKSA-N 2 1 363.418 0.629 20 5 FCBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430638609 489760684 /nfs/dbraw/zinc/76/06/84/489760684.db2.gz CSBRFTGCTBFIND-CHWSQXEVSA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430638609 489760686 /nfs/dbraw/zinc/76/06/86/489760686.db2.gz CSBRFTGCTBFIND-CHWSQXEVSA-N 2 1 363.418 0.709 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430645727 489762123 /nfs/dbraw/zinc/76/21/23/489762123.db2.gz CURFRJHQDNSFOR-CYBMUJFWSA-N 2 1 363.418 0.629 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430645727 489762126 /nfs/dbraw/zinc/76/21/26/489762126.db2.gz CURFRJHQDNSFOR-CYBMUJFWSA-N 2 1 363.418 0.629 20 5 FCBDMP COc1ccc(OCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000420349355 489966348 /nfs/dbraw/zinc/96/63/48/489966348.db2.gz OPGUYYUATOFQDB-CQSZACIVSA-N 2 1 350.419 0.962 20 5 FCBDMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005248 668969837 /nfs/dbraw/zinc/96/98/37/668969837.db2.gz ZLNBJPPOOQTGOX-HOCLYGCPSA-N 2 1 350.419 0.805 20 5 FCBDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005248 668969839 /nfs/dbraw/zinc/96/98/39/668969839.db2.gz ZLNBJPPOOQTGOX-HOCLYGCPSA-N 2 1 350.419 0.805 20 5 FCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000819059909 668975877 /nfs/dbraw/zinc/97/58/77/668975877.db2.gz DRHBRGPZTPZLMR-CVEARBPZSA-N 2 1 353.423 0.385 20 5 FCBDMP O=C1N[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001326390981 1265104588 /nfs/dbraw/zinc/10/45/88/1265104588.db2.gz LQDXAELEGCOXGH-CABCVRRESA-N 2 1 363.422 0.011 20 5 FCBDMP O=C1N[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001326390981 1265104590 /nfs/dbraw/zinc/10/45/90/1265104590.db2.gz LQDXAELEGCOXGH-CABCVRRESA-N 2 1 363.422 0.011 20 5 FCBDMP O=[N+]([O-])c1cnc(N2CC[NH+](CCc3ccccn3)CC2)nc1C1C[NH2+]C1 ZINC001165056287 722020839 /nfs/dbraw/zinc/02/08/39/722020839.db2.gz OTNQZJWQDVAXHD-UHFFFAOYSA-N 2 1 369.429 0.831 20 5 FCBDMP CCc1n[nH]c(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192566979 209300297 /nfs/dbraw/zinc/30/02/97/209300297.db2.gz MKQBAIRJXPGJJO-UHFFFAOYSA-N 2 1 352.439 0.978 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422719 217126954 /nfs/dbraw/zinc/12/69/54/217126954.db2.gz SMHCBEZGXLEROP-BVUBDWEXSA-N 2 1 353.423 0.336 20 5 FCBDMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000470013581 250020818 /nfs/dbraw/zinc/02/08/18/250020818.db2.gz YOHSYWHAVQKDJP-GFCCVEGCSA-N 2 1 366.418 0.899 20 5 FCBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858978 490618278 /nfs/dbraw/zinc/61/82/78/490618278.db2.gz PTMFECLNRNMKQQ-IUODEOHRSA-N 2 1 356.448 0.803 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000572993346 491406504 /nfs/dbraw/zinc/40/65/04/491406504.db2.gz ZPAXODAWZOWYTO-OAHLLOKOSA-N 2 1 366.418 0.088 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923365023 667827919 /nfs/dbraw/zinc/82/79/19/667827919.db2.gz FGPWHQDJMGOABQ-GJZGRUSLSA-N 2 1 350.419 0.314 20 5 FCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472104 1196564048 /nfs/dbraw/zinc/56/40/48/1196564048.db2.gz LOWUTXQJQDECBO-UHFFFAOYSA-N 2 1 365.434 0.769 20 5 FCBDMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026681 1199044032 /nfs/dbraw/zinc/04/40/32/1199044032.db2.gz YRTMXPVHSNIWKJ-QBPKDAKJSA-N 2 1 368.478 0.543 20 5 FCBDMP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843379142 1222874541 /nfs/dbraw/zinc/87/45/41/1222874541.db2.gz VCBKWLZHRAXAEU-SFHVURJKSA-N 2 1 361.446 0.914 20 5 FCBDMP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843379142 1222874545 /nfs/dbraw/zinc/87/45/45/1222874545.db2.gz VCBKWLZHRAXAEU-SFHVURJKSA-N 2 1 361.446 0.914 20 5 FCBDMP C[NH+]1CCN(C(=O)c2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2)CC1 ZINC001234070980 1259556354 /nfs/dbraw/zinc/55/63/54/1259556354.db2.gz WKQLNMSXSMNLRR-MRXNPFEDSA-N 2 1 364.466 0.437 20 5 FCBDMP O=C(NC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261845747 488538263 /nfs/dbraw/zinc/53/82/63/488538263.db2.gz LYFLZJWQBWLMEA-KGLIPLIRSA-N 2 1 350.423 0.372 20 5 FCBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000125593154 488602400 /nfs/dbraw/zinc/60/24/00/488602400.db2.gz FOPNKTZHKZPCRI-HNNXBMFYSA-N 2 1 366.466 0.974 20 5 FCBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430638614 489760455 /nfs/dbraw/zinc/76/04/55/489760455.db2.gz CSBRFTGCTBFIND-STQMWFEESA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430638614 489760457 /nfs/dbraw/zinc/76/04/57/489760457.db2.gz CSBRFTGCTBFIND-STQMWFEESA-N 2 1 363.418 0.709 20 5 FCBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422984178 490511779 /nfs/dbraw/zinc/51/17/79/490511779.db2.gz XJFPNZNFRUJPLN-FUNVUKJBSA-N 2 1 354.432 0.746 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000514085812 490761902 /nfs/dbraw/zinc/76/19/02/490761902.db2.gz ZDBKJBGARBCJGX-AWEZNQCLSA-N 2 1 362.434 0.640 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000514085812 490761905 /nfs/dbraw/zinc/76/19/05/490761905.db2.gz ZDBKJBGARBCJGX-AWEZNQCLSA-N 2 1 362.434 0.640 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000583204391 491840185 /nfs/dbraw/zinc/84/01/85/491840185.db2.gz JWTDDQVAIHYTBM-INIZCTEOSA-N 2 1 353.419 0.771 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366607 667827859 /nfs/dbraw/zinc/82/78/59/667827859.db2.gz NONAYWWITNKNKL-JKSUJKDBSA-N 2 1 350.419 0.314 20 5 FCBDMP Nc1ccc[nH+]c1N1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001154793991 1223018328 /nfs/dbraw/zinc/01/83/28/1223018328.db2.gz HNICJVDUHPMVEM-UHFFFAOYSA-N 2 1 356.390 0.375 20 5 FCBDMP O=c1cc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)nc2n1CCC[NH2+]C2 ZINC001163118428 1223226902 /nfs/dbraw/zinc/22/69/02/1223226902.db2.gz SBXCXXRCXMYVML-UHFFFAOYSA-N 2 1 356.386 0.860 20 5 FCBDMP O=C(NC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261675622 209465312 /nfs/dbraw/zinc/46/53/12/209465312.db2.gz CEVVFGNCNFNJSP-ZFWWWQNUSA-N 2 1 350.423 0.372 20 5 FCBDMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415082096 245346395 /nfs/dbraw/zinc/34/63/95/245346395.db2.gz NUGBMBAOCVUFOA-STQMWFEESA-N 2 1 356.448 0.993 20 5 FCBDMP C[NH+]1C[C@H]2CN(c3nc(N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000278273146 488808689 /nfs/dbraw/zinc/80/86/89/488808689.db2.gz AWPBBAGOLNAZFR-GEEKYZPCSA-N 2 1 372.473 0.985 20 5 FCBDMP C[NH+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)n3)C[C@H]2C1 ZINC000278273146 488808691 /nfs/dbraw/zinc/80/86/91/488808691.db2.gz AWPBBAGOLNAZFR-GEEKYZPCSA-N 2 1 372.473 0.985 20 5 FCBDMP C[NH+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)n3)C[C@H]2C1 ZINC000278273146 488808693 /nfs/dbraw/zinc/80/86/93/488808693.db2.gz AWPBBAGOLNAZFR-GEEKYZPCSA-N 2 1 372.473 0.985 20 5 FCBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642355 489760182 /nfs/dbraw/zinc/76/01/82/489760182.db2.gz JZEVVFWPDNOWQW-QWHCGFSZSA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642355 489760187 /nfs/dbraw/zinc/76/01/87/489760187.db2.gz JZEVVFWPDNOWQW-QWHCGFSZSA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490653769 489779427 /nfs/dbraw/zinc/77/94/27/489779427.db2.gz YIOFEHCADNPRPT-OIISXLGYSA-N 2 1 366.466 0.110 20 5 FCBDMP COc1ccc(NC(=O)CC[N@@H+]2CCCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420394959 489971915 /nfs/dbraw/zinc/97/19/15/489971915.db2.gz SMSTVOBZUKJCLK-CYBMUJFWSA-N 2 1 352.391 0.982 20 5 FCBDMP COc1ccc(NC(=O)CC[N@H+]2CCCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420394959 489971919 /nfs/dbraw/zinc/97/19/19/489971919.db2.gz SMSTVOBZUKJCLK-CYBMUJFWSA-N 2 1 352.391 0.982 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516878288 490882746 /nfs/dbraw/zinc/88/27/46/490882746.db2.gz FREKDUZYLDTIPE-KGLIPLIRSA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516878288 490882748 /nfs/dbraw/zinc/88/27/48/490882748.db2.gz FREKDUZYLDTIPE-KGLIPLIRSA-N 2 1 361.402 0.476 20 5 FCBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCNCC[NH2+]CCNCC1)CC2 ZINC001246820295 1259690374 /nfs/dbraw/zinc/69/03/74/1259690374.db2.gz JQOHIGXTCBWGFS-SFHVURJKSA-N 2 1 361.490 0.927 20 5 FCBDMP O=C1N[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001326390984 1265104407 /nfs/dbraw/zinc/10/44/07/1265104407.db2.gz LQDXAELEGCOXGH-LSDHHAIUSA-N 2 1 363.422 0.011 20 5 FCBDMP O=C1N[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001326390984 1265104410 /nfs/dbraw/zinc/10/44/10/1265104410.db2.gz LQDXAELEGCOXGH-LSDHHAIUSA-N 2 1 363.422 0.011 20 5 FCBDMP NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC000436055137 248029085 /nfs/dbraw/zinc/02/90/85/248029085.db2.gz ITYGOAUWOZUOGR-AWEZNQCLSA-N 2 1 363.418 0.513 20 5 FCBDMP NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC000436055137 248029086 /nfs/dbraw/zinc/02/90/86/248029086.db2.gz ITYGOAUWOZUOGR-AWEZNQCLSA-N 2 1 363.418 0.513 20 5 FCBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000165886486 488811677 /nfs/dbraw/zinc/81/16/77/488811677.db2.gz RXWPJDFKJQQFFG-CYBMUJFWSA-N 2 1 352.439 0.816 20 5 FCBDMP Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000581440520 491773266 /nfs/dbraw/zinc/77/32/66/491773266.db2.gz ISVJCMLOJBLXQY-CHWSQXEVSA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1c(NC(=O)CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000581440520 491773268 /nfs/dbraw/zinc/77/32/68/491773268.db2.gz ISVJCMLOJBLXQY-CHWSQXEVSA-N 2 1 361.402 0.476 20 5 FCBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000779603543 1212750818 /nfs/dbraw/zinc/75/08/18/1212750818.db2.gz HAJHHMSLPBHAQP-QGZVFWFLSA-N 2 1 365.430 0.787 20 5 FCBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[NH+](CCO)CCO)CC2)cc1 ZINC001254465411 1259886367 /nfs/dbraw/zinc/88/63/67/1259886367.db2.gz YVVNGXWFUMIUOU-UHFFFAOYSA-N 2 1 366.462 0.830 20 5 FCBDMP COc1nc(NCC2(N(C)C)CC[NH+](C)CC2)nc(OC)c1[N+](=O)[O-] ZINC001156181432 849892952 /nfs/dbraw/zinc/89/29/52/849892952.db2.gz AFLZSBHTCPJUSG-UHFFFAOYSA-N 2 1 354.411 0.840 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422724 217127822 /nfs/dbraw/zinc/12/78/22/217127822.db2.gz SMHCBEZGXLEROP-SLBVQIDZSA-N 2 1 353.423 0.336 20 5 FCBDMP NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC000436055140 248029729 /nfs/dbraw/zinc/02/97/29/248029729.db2.gz ITYGOAUWOZUOGR-CQSZACIVSA-N 2 1 363.418 0.513 20 5 FCBDMP NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC000436055140 248029732 /nfs/dbraw/zinc/02/97/32/248029732.db2.gz ITYGOAUWOZUOGR-CQSZACIVSA-N 2 1 363.418 0.513 20 5 FCBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178955119 209065330 /nfs/dbraw/zinc/06/53/30/209065330.db2.gz KRBAGBQSXHHINM-UHFFFAOYSA-N 2 1 368.459 0.901 20 5 FCBDMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000161956983 488799578 /nfs/dbraw/zinc/79/95/78/488799578.db2.gz UBMNOONBIFJAQG-QWHCGFSZSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000161956983 488799580 /nfs/dbraw/zinc/79/95/80/488799580.db2.gz UBMNOONBIFJAQG-QWHCGFSZSA-N 2 1 356.448 0.945 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430627791 489758156 /nfs/dbraw/zinc/75/81/56/489758156.db2.gz NOHBPXHUFUKYBK-UHFFFAOYSA-N 2 1 363.418 0.595 20 5 FCBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420327338 489963794 /nfs/dbraw/zinc/96/37/94/489963794.db2.gz YITICGLXYJBAMN-AWEZNQCLSA-N 2 1 368.459 0.901 20 5 FCBDMP COc1ccc(NC(=O)CC[N@@H+]2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420394961 489971318 /nfs/dbraw/zinc/97/13/18/489971318.db2.gz SMSTVOBZUKJCLK-ZDUSSCGKSA-N 2 1 352.391 0.982 20 5 FCBDMP COc1ccc(NC(=O)CC[N@H+]2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420394961 489971319 /nfs/dbraw/zinc/97/13/19/489971319.db2.gz SMSTVOBZUKJCLK-ZDUSSCGKSA-N 2 1 352.391 0.982 20 5 FCBDMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000564863542 491331896 /nfs/dbraw/zinc/33/18/96/491331896.db2.gz IHLHZKUKPWBLBI-INIZCTEOSA-N 2 1 366.462 0.950 20 5 FCBDMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000518781700 490951217 /nfs/dbraw/zinc/95/12/17/490951217.db2.gz SBGRUYXVHYMNDA-KRWDZBQOSA-N 2 1 362.434 0.954 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875261 491869262 /nfs/dbraw/zinc/86/92/62/491869262.db2.gz GYOIVJTXTKLKOC-KBPBESRZSA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875261 491869263 /nfs/dbraw/zinc/86/92/63/491869263.db2.gz GYOIVJTXTKLKOC-KBPBESRZSA-N 2 1 361.402 0.476 20 5 FCBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595903581 491960251 /nfs/dbraw/zinc/96/02/51/491960251.db2.gz XYRWBBBHSMXJRY-UHFFFAOYSA-N 2 1 352.391 0.636 20 5 FCBDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000818971436 1203147889 /nfs/dbraw/zinc/14/78/89/1203147889.db2.gz WUEHJKMLJTXHHH-HNNXBMFYSA-N 2 1 357.374 0.831 20 5 FCBDMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843362555 1222873679 /nfs/dbraw/zinc/87/36/79/1222873679.db2.gz KBUICYURUQQLRW-LSDHHAIUSA-N 2 1 361.446 0.913 20 5 FCBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843362555 1222873683 /nfs/dbraw/zinc/87/36/83/1222873683.db2.gz KBUICYURUQQLRW-LSDHHAIUSA-N 2 1 361.446 0.913 20 5 FCBDMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000923489611 1245725251 /nfs/dbraw/zinc/72/52/51/1245725251.db2.gz PXJRQFGXJLWOAF-HNNXBMFYSA-N 2 1 361.446 0.914 20 5 FCBDMP [NH3+]CC1([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001173694708 850733996 /nfs/dbraw/zinc/73/39/96/850733996.db2.gz CCROLBUWJFLGLT-UHFFFAOYSA-N 2 1 354.432 0.829 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000366996067 216061678 /nfs/dbraw/zinc/06/16/78/216061678.db2.gz MXLZGPKGNYWUME-UHFFFAOYSA-N 2 1 350.423 0.592 20 5 FCBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000299699678 488868592 /nfs/dbraw/zinc/86/85/92/488868592.db2.gz ZEEZVJWPYNSJHK-AWEZNQCLSA-N 2 1 352.439 0.666 20 5 FCBDMP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490653767 489779287 /nfs/dbraw/zinc/77/92/87/489779287.db2.gz YIOFEHCADNPRPT-DJIMGWMZSA-N 2 1 366.466 0.110 20 5 FCBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858970 490618782 /nfs/dbraw/zinc/61/87/82/490618782.db2.gz PTMFECLNRNMKQQ-DOMZBBRYSA-N 2 1 356.448 0.803 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000574271670 491485185 /nfs/dbraw/zinc/48/51/85/491485185.db2.gz XHXQADJYBIFYNY-CQSZACIVSA-N 2 1 366.418 0.088 20 5 FCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592424444 1196619814 /nfs/dbraw/zinc/61/98/14/1196619814.db2.gz NUFVJBHXINGBPS-LBPRGKRZSA-N 2 1 364.402 0.653 20 5 FCBDMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019753 1199042828 /nfs/dbraw/zinc/04/28/28/1199042828.db2.gz JFUCRYHRNMHMDF-OLZOCXBDSA-N 2 1 365.434 0.770 20 5 FCBDMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019753 1199042834 /nfs/dbraw/zinc/04/28/34/1199042834.db2.gz JFUCRYHRNMHMDF-OLZOCXBDSA-N 2 1 365.434 0.770 20 5 FCBDMP [NH3+]CCc1cn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c2ccncc12 ZINC001160944561 1223181745 /nfs/dbraw/zinc/18/17/45/1223181745.db2.gz REWBFQYDMAUPDT-UHFFFAOYSA-N 2 1 368.401 0.635 20 5 FCBDMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335366435 1259628243 /nfs/dbraw/zinc/62/82/43/1259628243.db2.gz HCAAPHXEVCKSOO-QGZVFWFLSA-N 2 1 366.462 0.952 20 5 FCBDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281860 1278085207 /nfs/dbraw/zinc/08/52/07/1278085207.db2.gz VUQNYDPQAYPJNH-JKSUJKDBSA-N 2 1 350.419 0.948 20 5 FCBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299712117 488869538 /nfs/dbraw/zinc/86/95/38/488869538.db2.gz ISVUQAGTHFPCLK-AWEZNQCLSA-N 2 1 352.439 0.666 20 5 FCBDMP O=C(NC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261675620 488529699 /nfs/dbraw/zinc/52/96/99/488529699.db2.gz CEVVFGNCNFNJSP-UKRRQHHQSA-N 2 1 350.423 0.372 20 5 FCBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430638613 489760245 /nfs/dbraw/zinc/76/02/45/489760245.db2.gz CSBRFTGCTBFIND-QWHCGFSZSA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430638613 489760249 /nfs/dbraw/zinc/76/02/49/489760249.db2.gz CSBRFTGCTBFIND-QWHCGFSZSA-N 2 1 363.418 0.709 20 5 FCBDMP CNc1nccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000564586619 491315107 /nfs/dbraw/zinc/31/51/07/491315107.db2.gz SSTNMAYSAHWMBP-UHFFFAOYSA-N 2 1 371.401 1.431 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000583263674 491841145 /nfs/dbraw/zinc/84/11/45/491841145.db2.gz MXFJPRADIZBCGM-CVEARBPZSA-N 2 1 353.419 0.771 20 5 FCBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000602797072 491998415 /nfs/dbraw/zinc/99/84/15/491998415.db2.gz HIGWRBCPHAUZRB-UHFFFAOYSA-N 2 1 353.423 0.259 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000923354715 667827714 /nfs/dbraw/zinc/82/77/14/667827714.db2.gz VIWAXQOCQCUSSN-GJZGRUSLSA-N 2 1 350.419 0.314 20 5 FCBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843362503 1222873650 /nfs/dbraw/zinc/87/36/50/1222873650.db2.gz KBUICYURUQQLRW-CABCVRRESA-N 2 1 361.446 0.913 20 5 FCBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843362503 1222873651 /nfs/dbraw/zinc/87/36/51/1222873651.db2.gz KBUICYURUQQLRW-CABCVRRESA-N 2 1 361.446 0.913 20 5 FCBDMP C[N@H+]1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C2(CCCC2)C1 ZINC001158408744 1223096837 /nfs/dbraw/zinc/09/68/37/1223096837.db2.gz OKBQEVAWJZFRMH-UHFFFAOYSA-N 2 1 361.450 0.859 20 5 FCBDMP C[C@@]([NH3+])(C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576082306 1272853471 /nfs/dbraw/zinc/85/34/71/1272853471.db2.gz XBSLVHCZKAICBC-YOEHRIQHSA-N 2 1 350.419 0.732 20 5 FCBDMP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931595 721890641 /nfs/dbraw/zinc/89/06/41/721890641.db2.gz FQEDYGOHUVWBNO-KBPBESRZSA-N 2 1 361.450 0.286 20 5 FCBDMP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931595 721890642 /nfs/dbraw/zinc/89/06/42/721890642.db2.gz FQEDYGOHUVWBNO-KBPBESRZSA-N 2 1 361.450 0.286 20 5 FCBDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217089 850719539 /nfs/dbraw/zinc/71/95/39/850719539.db2.gz LHODZRAPQWMPKS-FZMZJTMJSA-N 2 1 351.407 0.920 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000276328660 212212557 /nfs/dbraw/zinc/21/25/57/212212557.db2.gz QNVJFXGRPFJNBZ-UHFFFAOYSA-N 2 1 361.446 0.881 20 5 FCBDMP CC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268865778 488454030 /nfs/dbraw/zinc/45/40/30/488454030.db2.gz WMLLQYXOJXHJFY-UHFFFAOYSA-N 2 1 356.448 0.947 20 5 FCBDMP Cn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176474 491222187 /nfs/dbraw/zinc/22/21/87/491222187.db2.gz OYFRWCLNFFHHKV-CVEARBPZSA-N 2 1 370.413 0.739 20 5 FCBDMP Cn1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176474 491222189 /nfs/dbraw/zinc/22/21/89/491222189.db2.gz OYFRWCLNFFHHKV-CVEARBPZSA-N 2 1 370.413 0.739 20 5 FCBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106694 488800881 /nfs/dbraw/zinc/80/08/81/488800881.db2.gz RMQQPVSGFDHEHE-DOMZBBRYSA-N 2 1 356.448 0.803 20 5 FCBDMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000518781701 490951429 /nfs/dbraw/zinc/95/14/29/490951429.db2.gz SBGRUYXVHYMNDA-QGZVFWFLSA-N 2 1 362.434 0.954 20 5 FCBDMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000578007423 491667714 /nfs/dbraw/zinc/66/77/14/491667714.db2.gz POYFMGAQGNDVKK-HNNXBMFYSA-N 2 1 366.462 0.950 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366601 667828040 /nfs/dbraw/zinc/82/80/40/667828040.db2.gz NONAYWWITNKNKL-CVEARBPZSA-N 2 1 350.419 0.314 20 5 FCBDMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019752 1199043445 /nfs/dbraw/zinc/04/34/45/1199043445.db2.gz JFUCRYHRNMHMDF-CHWSQXEVSA-N 2 1 365.434 0.770 20 5 FCBDMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019752 1199043450 /nfs/dbraw/zinc/04/34/50/1199043450.db2.gz JFUCRYHRNMHMDF-CHWSQXEVSA-N 2 1 365.434 0.770 20 5 FCBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000866711019 1210004009 /nfs/dbraw/zinc/00/40/09/1210004009.db2.gz ZSMBEGVSNHMBIV-BJJXKVORSA-N 2 1 362.386 0.841 20 5 FCBDMP Nc1cccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)c1 ZINC001158485126 1223099120 /nfs/dbraw/zinc/09/91/20/1223099120.db2.gz HNDRWTOSTNHCFH-UHFFFAOYSA-N 2 1 369.429 0.976 20 5 FCBDMP O=C([C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000923283767 1245705813 /nfs/dbraw/zinc/70/58/13/1245705813.db2.gz YCVKKXNNEBRXSK-RDJZCZTQSA-N 2 1 362.430 0.772 20 5 FCBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000165886604 488811479 /nfs/dbraw/zinc/81/14/79/488811479.db2.gz RXWPJDFKJQQFFG-ZDUSSCGKSA-N 2 1 352.439 0.816 20 5 FCBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536828199 490619644 /nfs/dbraw/zinc/61/96/44/490619644.db2.gz RMQQPVSGFDHEHE-IUODEOHRSA-N 2 1 356.448 0.803 20 5 FCBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000578535638 491679345 /nfs/dbraw/zinc/67/93/45/491679345.db2.gz LJXPYJHIEBJSTL-QWHCGFSZSA-N 2 1 356.448 0.803 20 5 FCBDMP Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000581440521 491773411 /nfs/dbraw/zinc/77/34/11/491773411.db2.gz ISVJCMLOJBLXQY-OLZOCXBDSA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1c(NC(=O)CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000581440521 491773412 /nfs/dbraw/zinc/77/34/12/491773412.db2.gz ISVJCMLOJBLXQY-OLZOCXBDSA-N 2 1 361.402 0.476 20 5 FCBDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000849065048 671316651 /nfs/dbraw/zinc/31/66/51/671316651.db2.gz MARPNLYBCDCERB-UHFFFAOYSA-N 2 1 351.407 0.940 20 5 FCBDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849099912 671317702 /nfs/dbraw/zinc/31/77/02/671317702.db2.gz IIXBRANAWQTLKQ-UHFFFAOYSA-N 2 1 351.407 0.810 20 5 FCBDMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169019755 1199043362 /nfs/dbraw/zinc/04/33/62/1199043362.db2.gz JFUCRYHRNMHMDF-STQMWFEESA-N 2 1 365.434 0.770 20 5 FCBDMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169019755 1199043372 /nfs/dbraw/zinc/04/33/72/1199043372.db2.gz JFUCRYHRNMHMDF-STQMWFEESA-N 2 1 365.434 0.770 20 5 FCBDMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026683 1199045216 /nfs/dbraw/zinc/04/52/16/1199045216.db2.gz YRTMXPVHSNIWKJ-WCXIOVBPSA-N 2 1 368.478 0.543 20 5 FCBDMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000178004513 488859956 /nfs/dbraw/zinc/85/99/56/488859956.db2.gz YDGFGSADKXJEOJ-CHWSQXEVSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000178004513 488859957 /nfs/dbraw/zinc/85/99/57/488859957.db2.gz YDGFGSADKXJEOJ-CHWSQXEVSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430606474 489751611 /nfs/dbraw/zinc/75/16/11/489751611.db2.gz VWQMJSAJBMGFCR-QWHCGFSZSA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430606474 489751615 /nfs/dbraw/zinc/75/16/15/489751615.db2.gz VWQMJSAJBMGFCR-QWHCGFSZSA-N 2 1 363.418 0.709 20 5 FCBDMP COc1ccc(OCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430621451 489755872 /nfs/dbraw/zinc/75/58/72/489755872.db2.gz JUHKMFAQDGJBKZ-ZDUSSCGKSA-N 2 1 366.418 0.769 20 5 FCBDMP COc1ccc(OCC[N@H+](C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430620016 489756679 /nfs/dbraw/zinc/75/66/79/489756679.db2.gz HAHHCLYHCGIJDE-UHFFFAOYSA-N 2 1 352.391 0.346 20 5 FCBDMP COc1ccc(OCC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430620016 489756681 /nfs/dbraw/zinc/75/66/81/489756681.db2.gz HAHHCLYHCGIJDE-UHFFFAOYSA-N 2 1 352.391 0.346 20 5 FCBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430638611 489760842 /nfs/dbraw/zinc/76/08/42/489760842.db2.gz CSBRFTGCTBFIND-OLZOCXBDSA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430638611 489760846 /nfs/dbraw/zinc/76/08/46/489760846.db2.gz CSBRFTGCTBFIND-OLZOCXBDSA-N 2 1 363.418 0.709 20 5 FCBDMP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCN4CC[NH2+]CC4)CC3)nc2c1 ZINC000566245825 491430134 /nfs/dbraw/zinc/43/01/34/491430134.db2.gz VEZZAMUFKBVWJN-UHFFFAOYSA-N 2 1 373.461 0.888 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000577396262 491618404 /nfs/dbraw/zinc/61/84/04/491618404.db2.gz REZMKGZKEIPSAQ-OAHLLOKOSA-N 2 1 353.419 0.771 20 5 FCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000247226714 229279182 /nfs/dbraw/zinc/27/91/82/229279182.db2.gz CZHKXQAXODUYRH-GOEBONIOSA-N 2 1 353.423 0.196 20 5 FCBDMP O=C(NC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)[C@H]1CCC[NH2+]1 ZINC000261845750 488538101 /nfs/dbraw/zinc/53/81/01/488538101.db2.gz LYFLZJWQBWLMEA-ZIAGYGMSSA-N 2 1 350.423 0.372 20 5 FCBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642357 489760443 /nfs/dbraw/zinc/76/04/43/489760443.db2.gz JZEVVFWPDNOWQW-STQMWFEESA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642357 489760447 /nfs/dbraw/zinc/76/04/47/489760447.db2.gz JZEVVFWPDNOWQW-STQMWFEESA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490653768 489779551 /nfs/dbraw/zinc/77/95/51/489779551.db2.gz YIOFEHCADNPRPT-HYVNUMGLSA-N 2 1 366.466 0.110 20 5 FCBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000523318040 490455671 /nfs/dbraw/zinc/45/56/71/490455671.db2.gz GWBDSJZQPCIYJC-UHFFFAOYSA-N 2 1 372.385 0.542 20 5 FCBDMP CNS(=O)(=O)c1ccc(NCC[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596424664 491985211 /nfs/dbraw/zinc/98/52/11/491985211.db2.gz JTLRJBMSCHRNNI-UHFFFAOYSA-N 2 1 373.479 0.798 20 5 FCBDMP CNS(=O)(=O)c1ccc(NCC[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596424664 491985212 /nfs/dbraw/zinc/98/52/12/491985212.db2.gz JTLRJBMSCHRNNI-UHFFFAOYSA-N 2 1 373.479 0.798 20 5 FCBDMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005247 668970076 /nfs/dbraw/zinc/97/00/76/668970076.db2.gz ZLNBJPPOOQTGOX-GOEBONIOSA-N 2 1 350.419 0.805 20 5 FCBDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005247 668970079 /nfs/dbraw/zinc/97/00/79/668970079.db2.gz ZLNBJPPOOQTGOX-GOEBONIOSA-N 2 1 350.419 0.805 20 5 FCBDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843364982 1222873610 /nfs/dbraw/zinc/87/36/10/1222873610.db2.gz ZBKOUWMWCNHLFF-HUUCEWRRSA-N 2 1 361.446 0.913 20 5 FCBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843364982 1222873613 /nfs/dbraw/zinc/87/36/13/1222873613.db2.gz ZBKOUWMWCNHLFF-HUUCEWRRSA-N 2 1 361.446 0.913 20 5 FCBDMP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931598 721890675 /nfs/dbraw/zinc/89/06/75/721890675.db2.gz FQEDYGOHUVWBNO-ZIAGYGMSSA-N 2 1 361.450 0.286 20 5 FCBDMP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931598 721890676 /nfs/dbraw/zinc/89/06/76/721890676.db2.gz FQEDYGOHUVWBNO-ZIAGYGMSSA-N 2 1 361.450 0.286 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422723 217127331 /nfs/dbraw/zinc/12/73/31/217127331.db2.gz SMHCBEZGXLEROP-MIGQKNRLSA-N 2 1 353.423 0.336 20 5 FCBDMP CN(CC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](C)CC1 ZINC000089269379 208121032 /nfs/dbraw/zinc/12/10/32/208121032.db2.gz FUZAZNFQTOHEFR-UHFFFAOYSA-N 2 1 351.451 0.714 20 5 FCBDMP CC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000268810592 488451260 /nfs/dbraw/zinc/45/12/60/488451260.db2.gz IVBWDICBGDEWEA-UHFFFAOYSA-N 2 1 356.448 0.947 20 5 FCBDMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000161956850 488799698 /nfs/dbraw/zinc/79/96/98/488799698.db2.gz UBMNOONBIFJAQG-CHWSQXEVSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000161956850 488799700 /nfs/dbraw/zinc/79/97/00/488799700.db2.gz UBMNOONBIFJAQG-CHWSQXEVSA-N 2 1 356.448 0.945 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430645733 489762274 /nfs/dbraw/zinc/76/22/74/489762274.db2.gz CURFRJHQDNSFOR-ZDUSSCGKSA-N 2 1 363.418 0.629 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430645733 489762276 /nfs/dbraw/zinc/76/22/76/489762276.db2.gz CURFRJHQDNSFOR-ZDUSSCGKSA-N 2 1 363.418 0.629 20 5 FCBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476355014 489881849 /nfs/dbraw/zinc/88/18/49/489881849.db2.gz LSKMRJJLJSTPJH-CYBMUJFWSA-N 2 1 352.439 0.816 20 5 FCBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546088137 490184946 /nfs/dbraw/zinc/18/49/46/490184946.db2.gz YMWVQZPZYCTXKS-UHFFFAOYSA-N 2 1 357.374 0.971 20 5 FCBDMP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422946276 490503511 /nfs/dbraw/zinc/50/35/11/490503511.db2.gz OROISDSLCVHZSS-FUNVUKJBSA-N 2 1 354.432 0.746 20 5 FCBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472270 1196625561 /nfs/dbraw/zinc/62/55/61/1196625561.db2.gz QRABKMKMYMQDDY-UHFFFAOYSA-N 2 1 365.434 0.769 20 5 FCBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000299699679 488868495 /nfs/dbraw/zinc/86/84/95/488868495.db2.gz ZEEZVJWPYNSJHK-CQSZACIVSA-N 2 1 352.439 0.666 20 5 FCBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000125592942 488602628 /nfs/dbraw/zinc/60/26/28/488602628.db2.gz FOPNKTZHKZPCRI-OAHLLOKOSA-N 2 1 366.466 0.974 20 5 FCBDMP O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420321769 489962678 /nfs/dbraw/zinc/96/26/78/489962678.db2.gz RQKZQPNWGDRCKR-AWEZNQCLSA-N 2 1 368.459 0.901 20 5 FCBDMP O=C1[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420352630 489966509 /nfs/dbraw/zinc/96/65/09/489966509.db2.gz ZIQDDHXOLZUNSM-IRXDYDNUSA-N 2 1 359.430 0.680 20 5 FCBDMP O=C1[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420352630 489966511 /nfs/dbraw/zinc/96/65/11/489966511.db2.gz ZIQDDHXOLZUNSM-IRXDYDNUSA-N 2 1 359.430 0.680 20 5 FCBDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000535582145 490504245 /nfs/dbraw/zinc/50/42/45/490504245.db2.gz PDMMZDFZJQUUMW-INIZCTEOSA-N 2 1 363.462 0.857 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516878287 490882609 /nfs/dbraw/zinc/88/26/09/490882609.db2.gz FREKDUZYLDTIPE-KBPBESRZSA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516878287 490882612 /nfs/dbraw/zinc/88/26/12/490882612.db2.gz FREKDUZYLDTIPE-KBPBESRZSA-N 2 1 361.402 0.476 20 5 FCBDMP COc1ccc(NC(=O)CC[NH2+]C2(CO)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000595901741 491960377 /nfs/dbraw/zinc/96/03/77/491960377.db2.gz IHQSYMDIDFLLFN-UHFFFAOYSA-N 2 1 352.391 0.636 20 5 FCBDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281859 1278084462 /nfs/dbraw/zinc/08/44/62/1278084462.db2.gz VUQNYDPQAYPJNH-HZPDHXFCSA-N 2 1 350.419 0.948 20 5 FCBDMP COc1cc(N2CCC([N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246581624 857584643 /nfs/dbraw/zinc/58/46/43/857584643.db2.gz SQAKQNHUXOXBTQ-LRDDRELGSA-N 2 1 350.419 0.824 20 5 FCBDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538082 857977325 /nfs/dbraw/zinc/97/73/25/857977325.db2.gz OLWGYXBZRNNJDE-YPMHNXCESA-N 2 1 351.407 0.920 20 5 FCBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182290445 209128903 /nfs/dbraw/zinc/12/89/03/209128903.db2.gz JPHRMRWJFUIQBB-MRXNPFEDSA-N 2 1 366.462 0.904 20 5 FCBDMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000180942093 209104311 /nfs/dbraw/zinc/10/43/11/209104311.db2.gz HQRQZKYCWFEUNQ-CHWSQXEVSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000180942093 209104318 /nfs/dbraw/zinc/10/43/18/209104318.db2.gz HQRQZKYCWFEUNQ-CHWSQXEVSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000161957226 488799336 /nfs/dbraw/zinc/79/93/36/488799336.db2.gz UBMNOONBIFJAQG-STQMWFEESA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000161957226 488799337 /nfs/dbraw/zinc/79/93/37/488799337.db2.gz UBMNOONBIFJAQG-STQMWFEESA-N 2 1 356.448 0.945 20 5 FCBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476355016 489881869 /nfs/dbraw/zinc/88/18/69/489881869.db2.gz LSKMRJJLJSTPJH-ZDUSSCGKSA-N 2 1 352.439 0.816 20 5 FCBDMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000564863543 491331764 /nfs/dbraw/zinc/33/17/64/491331764.db2.gz IHLHZKUKPWBLBI-MRXNPFEDSA-N 2 1 366.462 0.950 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000574271669 491484928 /nfs/dbraw/zinc/48/49/28/491484928.db2.gz XHXQADJYBIFYNY-AWEZNQCLSA-N 2 1 366.418 0.088 20 5 FCBDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004486 668969705 /nfs/dbraw/zinc/96/97/05/668969705.db2.gz POVRBKSRGHQNAT-GDBMZVCRSA-N 2 1 350.419 0.805 20 5 FCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000819059910 668975882 /nfs/dbraw/zinc/97/58/82/668975882.db2.gz DRHBRGPZTPZLMR-HOTGVXAUSA-N 2 1 353.423 0.385 20 5 FCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472296 1196561678 /nfs/dbraw/zinc/56/16/78/1196561678.db2.gz ULINTUIWJMBLSI-CYBMUJFWSA-N 2 1 365.434 0.767 20 5 FCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472296 1196561682 /nfs/dbraw/zinc/56/16/82/1196561682.db2.gz ULINTUIWJMBLSI-CYBMUJFWSA-N 2 1 365.434 0.767 20 5 FCBDMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843347546 1222871790 /nfs/dbraw/zinc/87/17/90/1222871790.db2.gz UWIBEAJGPTUQIE-OAHLLOKOSA-N 2 1 361.446 0.914 20 5 FCBDMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843347546 1222871791 /nfs/dbraw/zinc/87/17/91/1222871791.db2.gz UWIBEAJGPTUQIE-OAHLLOKOSA-N 2 1 361.446 0.914 20 5 FCBDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843364983 1222873785 /nfs/dbraw/zinc/87/37/85/1222873785.db2.gz ZBKOUWMWCNHLFF-LSDHHAIUSA-N 2 1 361.446 0.913 20 5 FCBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843364983 1222873786 /nfs/dbraw/zinc/87/37/86/1222873786.db2.gz ZBKOUWMWCNHLFF-LSDHHAIUSA-N 2 1 361.446 0.913 20 5 FCBDMP O=[N+]([O-])c1c(NCC[C@@H]2CC[NH2+]CC2(F)F)ncnc1N1CC[NH2+]CC1 ZINC001162810921 1223220228 /nfs/dbraw/zinc/22/02/28/1223220228.db2.gz OWSNMGYRYMHWSB-NSHDSACASA-N 2 1 371.392 0.841 20 5 FCBDMP CN(C)C1=[NH+]OC2(C1)CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2 ZINC001166032338 1223265471 /nfs/dbraw/zinc/26/54/71/1223265471.db2.gz SCBLSUMXGWDAOU-UHFFFAOYSA-N 2 1 361.406 0.706 20 5 FCBDMP O=C([C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000923283768 1245704856 /nfs/dbraw/zinc/70/48/56/1245704856.db2.gz YCVKKXNNEBRXSK-WBVHZDCISA-N 2 1 362.430 0.772 20 5 FCBDMP C[NH+](C)CC1(O)CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001578412601 1275784448 /nfs/dbraw/zinc/78/44/48/1275784448.db2.gz RCWFNXQCICJPFK-MRXNPFEDSA-N 2 1 350.419 0.684 20 5 FCBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015330 488459648 /nfs/dbraw/zinc/45/96/48/488459648.db2.gz LJXPYJHIEBJSTL-STQMWFEESA-N 2 1 356.448 0.803 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000376493295 489743410 /nfs/dbraw/zinc/74/34/10/489743410.db2.gz VQGBPHJCOLVTLP-FVQBIDKESA-N 2 1 350.419 0.940 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000376493295 489743415 /nfs/dbraw/zinc/74/34/15/489743415.db2.gz VQGBPHJCOLVTLP-FVQBIDKESA-N 2 1 350.419 0.940 20 5 FCBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430606472 489752234 /nfs/dbraw/zinc/75/22/34/489752234.db2.gz VWQMJSAJBMGFCR-CHWSQXEVSA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430606472 489752238 /nfs/dbraw/zinc/75/22/38/489752238.db2.gz VWQMJSAJBMGFCR-CHWSQXEVSA-N 2 1 363.418 0.709 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430617912 489755040 /nfs/dbraw/zinc/75/50/40/489755040.db2.gz PYUROTGRWWCSBK-CYBMUJFWSA-N 2 1 363.418 0.629 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430617912 489755043 /nfs/dbraw/zinc/75/50/43/489755043.db2.gz PYUROTGRWWCSBK-CYBMUJFWSA-N 2 1 363.418 0.629 20 5 FCBDMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000578007424 491667804 /nfs/dbraw/zinc/66/78/04/491667804.db2.gz POYFMGAQGNDVKK-OAHLLOKOSA-N 2 1 366.462 0.950 20 5 FCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000819059911 668975795 /nfs/dbraw/zinc/97/57/95/668975795.db2.gz DRHBRGPZTPZLMR-HZPDHXFCSA-N 2 1 353.423 0.385 20 5 FCBDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000866711020 1210003543 /nfs/dbraw/zinc/00/35/43/1210003543.db2.gz ZSMBEGVSNHMBIV-XPKDYRNWSA-N 2 1 362.386 0.841 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000779473082 1212642114 /nfs/dbraw/zinc/64/21/14/1212642114.db2.gz CCUFXFJULNMIET-UHFFFAOYSA-N 2 1 361.446 0.881 20 5 FCBDMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843347543 1222871616 /nfs/dbraw/zinc/87/16/16/1222871616.db2.gz UWIBEAJGPTUQIE-HNNXBMFYSA-N 2 1 361.446 0.914 20 5 FCBDMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843347543 1222871618 /nfs/dbraw/zinc/87/16/18/1222871618.db2.gz UWIBEAJGPTUQIE-HNNXBMFYSA-N 2 1 361.446 0.914 20 5 FCBDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843364980 1222873905 /nfs/dbraw/zinc/87/39/05/1222873905.db2.gz ZBKOUWMWCNHLFF-CABCVRRESA-N 2 1 361.446 0.913 20 5 FCBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843364980 1222873906 /nfs/dbraw/zinc/87/39/06/1222873906.db2.gz ZBKOUWMWCNHLFF-CABCVRRESA-N 2 1 361.446 0.913 20 5 FCBDMP C[C@]([NH3+])(C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576082304 1272852936 /nfs/dbraw/zinc/85/29/36/1272852936.db2.gz XBSLVHCZKAICBC-WMLDXEAASA-N 2 1 350.419 0.732 20 5 FCBDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281858 1278084832 /nfs/dbraw/zinc/08/48/32/1278084832.db2.gz VUQNYDPQAYPJNH-HOTGVXAUSA-N 2 1 350.419 0.948 20 5 FCBDMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931597 721890518 /nfs/dbraw/zinc/89/05/18/721890518.db2.gz FQEDYGOHUVWBNO-UONOGXRCSA-N 2 1 361.450 0.286 20 5 FCBDMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931597 721890521 /nfs/dbraw/zinc/89/05/21/721890521.db2.gz FQEDYGOHUVWBNO-UONOGXRCSA-N 2 1 361.450 0.286 20 5 FCBDMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415082090 245347305 /nfs/dbraw/zinc/34/73/05/245347305.db2.gz NUGBMBAOCVUFOA-OLZOCXBDSA-N 2 1 356.448 0.993 20 5 FCBDMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000180942273 209105342 /nfs/dbraw/zinc/10/53/42/209105342.db2.gz HQRQZKYCWFEUNQ-OLZOCXBDSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000180942273 209105346 /nfs/dbraw/zinc/10/53/46/209105346.db2.gz HQRQZKYCWFEUNQ-OLZOCXBDSA-N 2 1 356.448 0.945 20 5 FCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000247226723 229279652 /nfs/dbraw/zinc/27/96/52/229279652.db2.gz CZHKXQAXODUYRH-HOCLYGCPSA-N 2 1 353.423 0.196 20 5 FCBDMP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261851673 488538649 /nfs/dbraw/zinc/53/86/49/488538649.db2.gz MLIBEWQCDOPWKN-STQMWFEESA-N 2 1 350.423 0.409 20 5 FCBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261851673 488538650 /nfs/dbraw/zinc/53/86/50/488538650.db2.gz MLIBEWQCDOPWKN-STQMWFEESA-N 2 1 350.423 0.409 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000562998971 491206599 /nfs/dbraw/zinc/20/65/99/491206599.db2.gz DXMLUKNEVDBIAS-UHFFFAOYSA-N 2 1 363.418 0.677 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000376493296 489743170 /nfs/dbraw/zinc/74/31/70/489743170.db2.gz VQGBPHJCOLVTLP-KBMXLJTQSA-N 2 1 350.419 0.940 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000376493296 489743172 /nfs/dbraw/zinc/74/31/72/489743172.db2.gz VQGBPHJCOLVTLP-KBMXLJTQSA-N 2 1 350.419 0.940 20 5 FCBDMP CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430602565 489750731 /nfs/dbraw/zinc/75/07/31/489750731.db2.gz LSWJEQBQKBJVHC-ZDUSSCGKSA-N 2 1 363.418 0.345 20 5 FCBDMP CN(C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430602565 489750734 /nfs/dbraw/zinc/75/07/34/489750734.db2.gz LSWJEQBQKBJVHC-ZDUSSCGKSA-N 2 1 363.418 0.345 20 5 FCBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420398897 489971293 /nfs/dbraw/zinc/97/12/93/489971293.db2.gz ZHEBTEVGGUIUMT-ZDUSSCGKSA-N 2 1 352.391 0.982 20 5 FCBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420398897 489971294 /nfs/dbraw/zinc/97/12/94/489971294.db2.gz ZHEBTEVGGUIUMT-ZDUSSCGKSA-N 2 1 352.391 0.982 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366605 667828104 /nfs/dbraw/zinc/82/81/04/667828104.db2.gz NONAYWWITNKNKL-HZPDHXFCSA-N 2 1 350.419 0.314 20 5 FCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000819059912 668975752 /nfs/dbraw/zinc/97/57/52/668975752.db2.gz DRHBRGPZTPZLMR-JKSUJKDBSA-N 2 1 353.423 0.385 20 5 FCBDMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863554748 1209945003 /nfs/dbraw/zinc/94/50/03/1209945003.db2.gz HCOJPWXCJXWPAP-UHFFFAOYSA-N 2 1 365.434 0.151 20 5 FCBDMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863554748 1209945007 /nfs/dbraw/zinc/94/50/07/1209945007.db2.gz HCOJPWXCJXWPAP-UHFFFAOYSA-N 2 1 365.434 0.151 20 5 FCBDMP C[NH+](C)/C=C/c1cc(NCCN(CC[NH3+])N(O)N=O)ncc1[N+](=O)[O-] ZINC001161096016 850229932 /nfs/dbraw/zinc/22/99/32/850229932.db2.gz USQSEKKNBXLVJC-ZZXKWVIFSA-N 2 1 354.371 0.482 20 5 FCBDMP COc1ccc(C[C@H](C)[NH2+]CCC[NH+](CCO)CCO)c([N+](=O)[O-])c1 ZINC001170296762 850649908 /nfs/dbraw/zinc/64/99/08/850649908.db2.gz IFMZPALRAYLVSF-AWEZNQCLSA-N 2 1 355.435 0.801 20 5 FCBDMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000180942115 209104935 /nfs/dbraw/zinc/10/49/35/209104935.db2.gz HQRQZKYCWFEUNQ-QWHCGFSZSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000180942115 209104937 /nfs/dbraw/zinc/10/49/37/209104937.db2.gz HQRQZKYCWFEUNQ-QWHCGFSZSA-N 2 1 356.448 0.945 20 5 FCBDMP O=C(NC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261845745 488538091 /nfs/dbraw/zinc/53/80/91/488538091.db2.gz LYFLZJWQBWLMEA-KBPBESRZSA-N 2 1 350.423 0.372 20 5 FCBDMP Cc1c(NC(=O)CC[N@H+](C)CC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000430611002 489753953 /nfs/dbraw/zinc/75/39/53/489753953.db2.gz NBPWFGKOAACVGF-UHFFFAOYSA-N 2 1 363.418 0.595 20 5 FCBDMP O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420327339 489963379 /nfs/dbraw/zinc/96/33/79/489963379.db2.gz YITICGLXYJBAMN-CQSZACIVSA-N 2 1 368.459 0.901 20 5 FCBDMP O=C1[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420352628 489966868 /nfs/dbraw/zinc/96/68/68/489966868.db2.gz ZIQDDHXOLZUNSM-IAGOWNOFSA-N 2 1 359.430 0.680 20 5 FCBDMP O=C1[C@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420352628 489966870 /nfs/dbraw/zinc/96/68/70/489966870.db2.gz ZIQDDHXOLZUNSM-IAGOWNOFSA-N 2 1 359.430 0.680 20 5 FCBDMP Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000520100161 490112205 /nfs/dbraw/zinc/11/22/05/490112205.db2.gz GACODTCVNQLQCX-UHFFFAOYSA-N 2 1 359.390 0.885 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000572993345 491406336 /nfs/dbraw/zinc/40/63/36/491406336.db2.gz ZPAXODAWZOWYTO-HNNXBMFYSA-N 2 1 366.418 0.088 20 5 FCBDMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005249 668969980 /nfs/dbraw/zinc/96/99/80/668969980.db2.gz ZLNBJPPOOQTGOX-ZBFHGGJFSA-N 2 1 350.419 0.805 20 5 FCBDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005249 668969982 /nfs/dbraw/zinc/96/99/82/668969982.db2.gz ZLNBJPPOOQTGOX-ZBFHGGJFSA-N 2 1 350.419 0.805 20 5 FCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472297 1196561543 /nfs/dbraw/zinc/56/15/43/1196561543.db2.gz ULINTUIWJMBLSI-ZDUSSCGKSA-N 2 1 365.434 0.767 20 5 FCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472297 1196561547 /nfs/dbraw/zinc/56/15/47/1196561547.db2.gz ULINTUIWJMBLSI-ZDUSSCGKSA-N 2 1 365.434 0.767 20 5 FCBDMP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592472314 1196561595 /nfs/dbraw/zinc/56/15/95/1196561595.db2.gz XNTWYQSDSPEVDB-CYBMUJFWSA-N 2 1 365.434 0.767 20 5 FCBDMP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592472314 1196561601 /nfs/dbraw/zinc/56/16/01/1196561601.db2.gz XNTWYQSDSPEVDB-CYBMUJFWSA-N 2 1 365.434 0.767 20 5 FCBDMP COC(=O)COc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592428374 1196619028 /nfs/dbraw/zinc/61/90/28/1196619028.db2.gz DOKPFZFLCURBAP-UHFFFAOYSA-N 2 1 366.418 0.484 20 5 FCBDMP C[C@@]([NH3+])(C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576082300 1272853629 /nfs/dbraw/zinc/85/36/29/1272853629.db2.gz XBSLVHCZKAICBC-PBHICJAKSA-N 2 1 350.419 0.732 20 5 FCBDMP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931596 721890595 /nfs/dbraw/zinc/89/05/95/721890595.db2.gz FQEDYGOHUVWBNO-KGLIPLIRSA-N 2 1 361.450 0.286 20 5 FCBDMP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931596 721890596 /nfs/dbraw/zinc/89/05/96/721890596.db2.gz FQEDYGOHUVWBNO-KGLIPLIRSA-N 2 1 361.450 0.286 20 5 FCBDMP COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000470013582 250021002 /nfs/dbraw/zinc/02/10/02/250021002.db2.gz YOHSYWHAVQKDJP-LBPRGKRZSA-N 2 1 366.418 0.899 20 5 FCBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299712118 488869447 /nfs/dbraw/zinc/86/94/47/488869447.db2.gz ISVUQAGTHFPCLK-CQSZACIVSA-N 2 1 352.439 0.666 20 5 FCBDMP CN(CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000245647960 488465418 /nfs/dbraw/zinc/46/54/18/488465418.db2.gz BSQWNEXPWOCBLN-MRXNPFEDSA-N 2 1 354.455 0.110 20 5 FCBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174729264 488850805 /nfs/dbraw/zinc/85/08/05/488850805.db2.gz PFBMSGXJIYDKCY-KRWDZBQOSA-N 2 1 366.462 0.904 20 5 FCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430638710 489760534 /nfs/dbraw/zinc/76/05/34/489760534.db2.gz DCLGTAWXUWMHTE-CYBMUJFWSA-N 2 1 374.401 0.932 20 5 FCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430638710 489760537 /nfs/dbraw/zinc/76/05/37/489760537.db2.gz DCLGTAWXUWMHTE-CYBMUJFWSA-N 2 1 374.401 0.932 20 5 FCBDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000535582152 490503453 /nfs/dbraw/zinc/50/34/53/490503453.db2.gz PDMMZDFZJQUUMW-MRXNPFEDSA-N 2 1 363.462 0.857 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516878290 490882822 /nfs/dbraw/zinc/88/28/22/490882822.db2.gz FREKDUZYLDTIPE-ZIAGYGMSSA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516878290 490882825 /nfs/dbraw/zinc/88/28/25/490882825.db2.gz FREKDUZYLDTIPE-ZIAGYGMSSA-N 2 1 361.402 0.476 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000577396261 491618858 /nfs/dbraw/zinc/61/88/58/491618858.db2.gz REZMKGZKEIPSAQ-HNNXBMFYSA-N 2 1 353.419 0.771 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875262 491869319 /nfs/dbraw/zinc/86/93/19/491869319.db2.gz GYOIVJTXTKLKOC-KGLIPLIRSA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875262 491869321 /nfs/dbraw/zinc/86/93/21/491869321.db2.gz GYOIVJTXTKLKOC-KGLIPLIRSA-N 2 1 361.402 0.476 20 5 FCBDMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843362504 1222873740 /nfs/dbraw/zinc/87/37/40/1222873740.db2.gz KBUICYURUQQLRW-GJZGRUSLSA-N 2 1 361.446 0.913 20 5 FCBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843362504 1222873744 /nfs/dbraw/zinc/87/37/44/1222873744.db2.gz KBUICYURUQQLRW-GJZGRUSLSA-N 2 1 361.446 0.913 20 5 FCBDMP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843379139 1222874754 /nfs/dbraw/zinc/87/47/54/1222874754.db2.gz VCBKWLZHRAXAEU-GOSISDBHSA-N 2 1 361.446 0.914 20 5 FCBDMP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843379139 1222874758 /nfs/dbraw/zinc/87/47/58/1222874758.db2.gz VCBKWLZHRAXAEU-GOSISDBHSA-N 2 1 361.446 0.914 20 5 FCBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCNCC[NH2+]CCNCC1)CC2 ZINC001246820284 1259690776 /nfs/dbraw/zinc/69/07/76/1259690776.db2.gz JQOHIGXTCBWGFS-GOSISDBHSA-N 2 1 361.490 0.927 20 5 FCBDMP COc1cc(N2CCC([N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246587094 857584284 /nfs/dbraw/zinc/58/42/84/857584284.db2.gz SQAKQNHUXOXBTQ-BLLLJJGKSA-N 2 1 350.419 0.824 20 5 FCBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536828205 490619154 /nfs/dbraw/zinc/61/91/54/490619154.db2.gz RMQQPVSGFDHEHE-SWLSCSKDSA-N 2 1 356.448 0.803 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875263 491869313 /nfs/dbraw/zinc/86/93/13/491869313.db2.gz GYOIVJTXTKLKOC-UONOGXRCSA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875263 491869315 /nfs/dbraw/zinc/86/93/15/491869315.db2.gz GYOIVJTXTKLKOC-UONOGXRCSA-N 2 1 361.402 0.476 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000923354716 667827739 /nfs/dbraw/zinc/82/77/39/667827739.db2.gz VIWAXQOCQCUSSN-HUUCEWRRSA-N 2 1 350.419 0.314 20 5 FCBDMP O=[N+]([O-])c1cnc(N2CC[NH+](CCc3ccncc3)CC2)nc1C1C[NH2+]C1 ZINC001165060474 1223241369 /nfs/dbraw/zinc/24/13/69/1223241369.db2.gz WIRUVPKRGFLMST-UHFFFAOYSA-N 2 1 369.429 0.831 20 5 FCBDMP O=[N+]([O-])c1c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ncnc1N1CC[NH2+]CC1 ZINC001164767146 721282910 /nfs/dbraw/zinc/28/29/10/721282910.db2.gz GWQHBZCHPBTDMX-UHFFFAOYSA-N 2 1 373.461 0.717 20 5 FCBDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538081 857976800 /nfs/dbraw/zinc/97/68/00/857976800.db2.gz OLWGYXBZRNNJDE-AAEUAGOBSA-N 2 1 351.407 0.920 20 5 FCBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858980 490618323 /nfs/dbraw/zinc/61/83/23/490618323.db2.gz PTMFECLNRNMKQQ-SWLSCSKDSA-N 2 1 356.448 0.803 20 5 FCBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858981 490619240 /nfs/dbraw/zinc/61/92/40/490619240.db2.gz PTMFECLNRNMKQQ-WFASDCNBSA-N 2 1 356.448 0.803 20 5 FCBDMP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C[NH3+] ZINC000866674725 1210000928 /nfs/dbraw/zinc/00/09/28/1210000928.db2.gz HNVPCXZOJXHEEF-HUUCEWRRSA-N 2 1 361.446 0.770 20 5 FCBDMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C[NH3+] ZINC000866674725 1210000931 /nfs/dbraw/zinc/00/09/31/1210000931.db2.gz HNVPCXZOJXHEEF-HUUCEWRRSA-N 2 1 361.446 0.770 20 5 FCBDMP CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001163122171 1223226849 /nfs/dbraw/zinc/22/68/49/1223226849.db2.gz CVCLWJJEYYHESO-GFCCVEGCSA-N 2 1 364.406 0.177 20 5 FCBDMP O=C([C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000923283765 1245706011 /nfs/dbraw/zinc/70/60/11/1245706011.db2.gz YCVKKXNNEBRXSK-DOTOQJQBSA-N 2 1 362.430 0.772 20 5 FCBDMP O=[N+]([O-])c1c(NCC[NH+]2CCSCC2)ncnc1N1CC[NH2+]CC1 ZINC001157043812 849942597 /nfs/dbraw/zinc/94/25/97/849942597.db2.gz IVDGCWJZCBUSAR-UHFFFAOYSA-N 2 1 353.452 0.255 20 5 FCBDMP O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3C[NH2+]CCN3)CC2)c(F)c1 ZINC001246490445 857581084 /nfs/dbraw/zinc/58/10/84/857581084.db2.gz CMZNTTNVMZQUHD-GFCCVEGCSA-N 2 1 355.389 0.993 20 5 FCBDMP CC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000271711922 488540956 /nfs/dbraw/zinc/54/09/56/488540956.db2.gz OMHSDHBTXBLMQI-UHFFFAOYSA-N 2 1 356.448 0.947 20 5 FCBDMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005246 668969852 /nfs/dbraw/zinc/96/98/52/668969852.db2.gz ZLNBJPPOOQTGOX-GDBMZVCRSA-N 2 1 350.419 0.805 20 5 FCBDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005246 668969858 /nfs/dbraw/zinc/96/98/58/668969858.db2.gz ZLNBJPPOOQTGOX-GDBMZVCRSA-N 2 1 350.419 0.805 20 5 FCBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000779603542 1212751164 /nfs/dbraw/zinc/75/11/64/1212751164.db2.gz HAJHHMSLPBHAQP-KRWDZBQOSA-N 2 1 365.430 0.787 20 5 FCBDMP C[NH+](C)/C=C/c1cc(N2CC(=O)NC3(CC[NH2+]CC3)C2)ncc1[N+](=O)[O-] ZINC001165254373 1223243903 /nfs/dbraw/zinc/24/39/03/1223243903.db2.gz DJGGLDPLYRVUEB-FPYGCLRLSA-N 2 1 360.418 0.581 20 5 FCBDMP C[NH+](C)CCN1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001338461827 1267948731 /nfs/dbraw/zinc/94/87/31/1267948731.db2.gz PMXIRRKVMOBNEU-MRXNPFEDSA-N 2 1 354.455 0.015 20 5 FCBDMP COc1ccc(C[C@@H](C)[NH2+]CCC[NH+](CCO)CCO)c([N+](=O)[O-])c1 ZINC001170296764 850649934 /nfs/dbraw/zinc/64/99/34/850649934.db2.gz IFMZPALRAYLVSF-CQSZACIVSA-N 2 1 355.435 0.801 20 5 FCBDMP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000180942294 209104366 /nfs/dbraw/zinc/10/43/66/209104366.db2.gz HQRQZKYCWFEUNQ-STQMWFEESA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000180942294 209104372 /nfs/dbraw/zinc/10/43/72/209104372.db2.gz HQRQZKYCWFEUNQ-STQMWFEESA-N 2 1 356.448 0.945 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000563138380 491219909 /nfs/dbraw/zinc/21/99/09/491219909.db2.gz PYTHAYYXZNOUOB-HUUCEWRRSA-N 2 1 353.419 0.771 20 5 FCBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106796 488801003 /nfs/dbraw/zinc/80/10/03/488801003.db2.gz RMQQPVSGFDHEHE-WFASDCNBSA-N 2 1 356.448 0.803 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430601222 489750558 /nfs/dbraw/zinc/75/05/58/489750558.db2.gz CYMMHPGOZNSCCD-UHFFFAOYSA-N 2 1 363.418 0.595 20 5 FCBDMP O=C1[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420352626 489966326 /nfs/dbraw/zinc/96/63/26/489966326.db2.gz ZIQDDHXOLZUNSM-DLBZAZTESA-N 2 1 359.430 0.680 20 5 FCBDMP O=C1[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420352626 489966329 /nfs/dbraw/zinc/96/63/29/489966329.db2.gz ZIQDDHXOLZUNSM-DLBZAZTESA-N 2 1 359.430 0.680 20 5 FCBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000578535636 491679429 /nfs/dbraw/zinc/67/94/29/491679429.db2.gz LJXPYJHIEBJSTL-CHWSQXEVSA-N 2 1 356.448 0.803 20 5 FCBDMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001120574876 1222105452 /nfs/dbraw/zinc/10/54/52/1222105452.db2.gz RMKMOFYSMINCTP-MRXNPFEDSA-N 2 1 366.462 0.952 20 5 FCBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182290415 209129607 /nfs/dbraw/zinc/12/96/07/209129607.db2.gz JPHRMRWJFUIQBB-INIZCTEOSA-N 2 1 366.462 0.904 20 5 FCBDMP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261851668 488538715 /nfs/dbraw/zinc/53/87/15/488538715.db2.gz MLIBEWQCDOPWKN-CHWSQXEVSA-N 2 1 350.423 0.409 20 5 FCBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261851668 488538717 /nfs/dbraw/zinc/53/87/17/488538717.db2.gz MLIBEWQCDOPWKN-CHWSQXEVSA-N 2 1 350.423 0.409 20 5 FCBDMP Cn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176476 491221881 /nfs/dbraw/zinc/22/18/81/491221881.db2.gz OYFRWCLNFFHHKV-HZPDHXFCSA-N 2 1 370.413 0.739 20 5 FCBDMP Cn1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176476 491221884 /nfs/dbraw/zinc/22/18/84/491221884.db2.gz OYFRWCLNFFHHKV-HZPDHXFCSA-N 2 1 370.413 0.739 20 5 FCBDMP Cn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176475 491222119 /nfs/dbraw/zinc/22/21/19/491222119.db2.gz OYFRWCLNFFHHKV-HOTGVXAUSA-N 2 1 370.413 0.739 20 5 FCBDMP Cn1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176475 491222123 /nfs/dbraw/zinc/22/21/23/491222123.db2.gz OYFRWCLNFFHHKV-HOTGVXAUSA-N 2 1 370.413 0.739 20 5 FCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420397996 489971555 /nfs/dbraw/zinc/97/15/55/489971555.db2.gz YACDDUHOZKYSMX-CYBMUJFWSA-N 2 1 352.391 0.982 20 5 FCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420397996 489971561 /nfs/dbraw/zinc/97/15/61/489971561.db2.gz YACDDUHOZKYSMX-CYBMUJFWSA-N 2 1 352.391 0.982 20 5 FCBDMP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422942242 490503461 /nfs/dbraw/zinc/50/34/61/490503461.db2.gz WEXHURGGPBEVEZ-FUNVUKJBSA-N 2 1 354.432 0.746 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516878289 490882653 /nfs/dbraw/zinc/88/26/53/490882653.db2.gz FREKDUZYLDTIPE-UONOGXRCSA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516878289 490882654 /nfs/dbraw/zinc/88/26/54/490882654.db2.gz FREKDUZYLDTIPE-UONOGXRCSA-N 2 1 361.402 0.476 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366603 667827941 /nfs/dbraw/zinc/82/79/41/667827941.db2.gz NONAYWWITNKNKL-HOTGVXAUSA-N 2 1 350.419 0.314 20 5 FCBDMP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592472315 1196561923 /nfs/dbraw/zinc/56/19/23/1196561923.db2.gz XNTWYQSDSPEVDB-ZDUSSCGKSA-N 2 1 365.434 0.767 20 5 FCBDMP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592472315 1196561926 /nfs/dbraw/zinc/56/19/26/1196561926.db2.gz XNTWYQSDSPEVDB-ZDUSSCGKSA-N 2 1 365.434 0.767 20 5 FCBDMP C[N@H+]1CCCN(CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001120574875 1222105288 /nfs/dbraw/zinc/10/52/88/1222105288.db2.gz RMKMOFYSMINCTP-INIZCTEOSA-N 2 1 366.462 0.952 20 5 FCBDMP O=[N+]([O-])c1c(NCC[C@H]2CC[NH2+]CC2(F)F)ncnc1N1CC[NH2+]CC1 ZINC001162810920 1223220116 /nfs/dbraw/zinc/22/01/16/1223220116.db2.gz OWSNMGYRYMHWSB-LLVKDONJSA-N 2 1 371.392 0.841 20 5 FCBDMP C[N@H+]1CCCN(CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335366434 1259627333 /nfs/dbraw/zinc/62/73/33/1259627333.db2.gz HCAAPHXEVCKSOO-KRWDZBQOSA-N 2 1 366.462 0.952 20 5 FCBDMP O=C1N[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001326390983 1265104338 /nfs/dbraw/zinc/10/43/38/1265104338.db2.gz LQDXAELEGCOXGH-HUUCEWRRSA-N 2 1 363.422 0.011 20 5 FCBDMP O=C1N[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001326390983 1265104342 /nfs/dbraw/zinc/10/43/42/1265104342.db2.gz LQDXAELEGCOXGH-HUUCEWRRSA-N 2 1 363.422 0.011 20 5 FCBDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281857 1278085464 /nfs/dbraw/zinc/08/54/64/1278085464.db2.gz VUQNYDPQAYPJNH-CVEARBPZSA-N 2 1 350.419 0.948 20 5 FCBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015327 488459818 /nfs/dbraw/zinc/45/98/18/488459818.db2.gz LJXPYJHIEBJSTL-OLZOCXBDSA-N 2 1 356.448 0.803 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000563138379 491219965 /nfs/dbraw/zinc/21/99/65/491219965.db2.gz PYTHAYYXZNOUOB-CABCVRRESA-N 2 1 353.419 0.771 20 5 FCBDMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000161957112 488799562 /nfs/dbraw/zinc/79/95/62/488799562.db2.gz UBMNOONBIFJAQG-OLZOCXBDSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000161957112 488799563 /nfs/dbraw/zinc/79/95/63/488799563.db2.gz UBMNOONBIFJAQG-OLZOCXBDSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000178004558 488859969 /nfs/dbraw/zinc/85/99/69/488859969.db2.gz YDGFGSADKXJEOJ-STQMWFEESA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000178004558 488859970 /nfs/dbraw/zinc/85/99/70/488859970.db2.gz YDGFGSADKXJEOJ-STQMWFEESA-N 2 1 356.448 0.945 20 5 FCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430634220 489758957 /nfs/dbraw/zinc/75/89/57/489758957.db2.gz CZKRLPFGIAWVGN-ZDUSSCGKSA-N 2 1 374.401 0.932 20 5 FCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430634220 489758959 /nfs/dbraw/zinc/75/89/59/489758959.db2.gz CZKRLPFGIAWVGN-ZDUSSCGKSA-N 2 1 374.401 0.932 20 5 FCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430642726 489762237 /nfs/dbraw/zinc/76/22/37/489762237.db2.gz KRVWSZIKXNVOKF-ZDUSSCGKSA-N 2 1 363.418 0.710 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000923353738 667827606 /nfs/dbraw/zinc/82/76/06/667827606.db2.gz MHMRAECOMZRYAV-HOTGVXAUSA-N 2 1 350.419 0.314 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923353737 667827680 /nfs/dbraw/zinc/82/76/80/667827680.db2.gz MHMRAECOMZRYAV-CVEARBPZSA-N 2 1 350.419 0.314 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923353739 667827731 /nfs/dbraw/zinc/82/77/31/667827731.db2.gz MHMRAECOMZRYAV-HZPDHXFCSA-N 2 1 350.419 0.314 20 5 FCBDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004488 668969926 /nfs/dbraw/zinc/96/99/26/668969926.db2.gz POVRBKSRGHQNAT-HOCLYGCPSA-N 2 1 350.419 0.805 20 5 FCBDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004489 668970037 /nfs/dbraw/zinc/97/00/37/668970037.db2.gz POVRBKSRGHQNAT-ZBFHGGJFSA-N 2 1 350.419 0.805 20 5 FCBDMP COc1ccc(NC(=O)CC[N@@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592471981 1196563836 /nfs/dbraw/zinc/56/38/36/1196563836.db2.gz BFGFRNUDIVOKCJ-UHFFFAOYSA-N 2 1 365.434 0.769 20 5 FCBDMP CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001163122172 1223226721 /nfs/dbraw/zinc/22/67/21/1223226721.db2.gz CVCLWJJEYYHESO-LBPRGKRZSA-N 2 1 364.406 0.177 20 5 FCBDMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000923489614 1245724739 /nfs/dbraw/zinc/72/47/39/1245724739.db2.gz PXJRQFGXJLWOAF-OAHLLOKOSA-N 2 1 361.446 0.914 20 5 FCBDMP O=C1N[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001326390982 1265104527 /nfs/dbraw/zinc/10/45/27/1265104527.db2.gz LQDXAELEGCOXGH-GJZGRUSLSA-N 2 1 363.422 0.011 20 5 FCBDMP O=C1N[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001326390982 1265104531 /nfs/dbraw/zinc/10/45/31/1265104531.db2.gz LQDXAELEGCOXGH-GJZGRUSLSA-N 2 1 363.422 0.011 20 5 FCBDMP C[N+](C)(C)C[C@H](O)CC(=O)OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224956749 857010302 /nfs/dbraw/zinc/01/03/02/857010302.db2.gz QYEXEOGPFBPVNE-MSOLQXFVSA-N 2 1 351.467 0.888 20 5 FCBDMP C[N+](C)(C)C[C@H](O)CC(=O)OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224956749 857010311 /nfs/dbraw/zinc/01/03/11/857010311.db2.gz QYEXEOGPFBPVNE-MSOLQXFVSA-N 2 1 351.467 0.888 20 5 FCBDMP O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@@H]3C[NH2+]CCN3)CC2)c(F)c1 ZINC001246490450 857581699 /nfs/dbraw/zinc/58/16/99/857581699.db2.gz CMZNTTNVMZQUHD-LBPRGKRZSA-N 2 1 355.389 0.993 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422721 217127890 /nfs/dbraw/zinc/12/78/90/217127890.db2.gz SMHCBEZGXLEROP-DTZQCDIJSA-N 2 1 353.423 0.336 20 5 FCBDMP O=C(NC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261675616 488530056 /nfs/dbraw/zinc/53/00/56/488530056.db2.gz CEVVFGNCNFNJSP-DZGCQCFKSA-N 2 1 350.423 0.372 20 5 FCBDMP Cn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176477 491222109 /nfs/dbraw/zinc/22/21/09/491222109.db2.gz OYFRWCLNFFHHKV-JKSUJKDBSA-N 2 1 370.413 0.739 20 5 FCBDMP Cn1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570176477 491222112 /nfs/dbraw/zinc/22/21/12/491222112.db2.gz OYFRWCLNFFHHKV-JKSUJKDBSA-N 2 1 370.413 0.739 20 5 FCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430605795 489752616 /nfs/dbraw/zinc/75/26/16/489752616.db2.gz SIYNWDKNQOURKS-ZDUSSCGKSA-N 2 1 363.418 0.710 20 5 FCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430638712 489761154 /nfs/dbraw/zinc/76/11/54/489761154.db2.gz DCLGTAWXUWMHTE-ZDUSSCGKSA-N 2 1 374.401 0.932 20 5 FCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430638712 489761159 /nfs/dbraw/zinc/76/11/59/489761159.db2.gz DCLGTAWXUWMHTE-ZDUSSCGKSA-N 2 1 374.401 0.932 20 5 FCBDMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026682 1199044474 /nfs/dbraw/zinc/04/44/74/1199044474.db2.gz YRTMXPVHSNIWKJ-VVLHAWIVSA-N 2 1 368.478 0.543 20 5 FCBDMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843364981 1222873716 /nfs/dbraw/zinc/87/37/16/1222873716.db2.gz ZBKOUWMWCNHLFF-GJZGRUSLSA-N 2 1 361.446 0.913 20 5 FCBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843364981 1222873719 /nfs/dbraw/zinc/87/37/19/1222873719.db2.gz ZBKOUWMWCNHLFF-GJZGRUSLSA-N 2 1 361.446 0.913 20 5 FCBDMP CC[N@@H+](C)CCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000091461250 208138001 /nfs/dbraw/zinc/13/80/01/208138001.db2.gz NPCMRINBPXFVPE-UHFFFAOYSA-N 2 1 373.479 0.798 20 5 FCBDMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000178004524 488859947 /nfs/dbraw/zinc/85/99/47/488859947.db2.gz YDGFGSADKXJEOJ-QWHCGFSZSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000178004524 488859948 /nfs/dbraw/zinc/85/99/48/488859948.db2.gz YDGFGSADKXJEOJ-QWHCGFSZSA-N 2 1 356.448 0.945 20 5 FCBDMP CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430602563 489751164 /nfs/dbraw/zinc/75/11/64/489751164.db2.gz LSWJEQBQKBJVHC-CYBMUJFWSA-N 2 1 363.418 0.345 20 5 FCBDMP CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430602563 489751165 /nfs/dbraw/zinc/75/11/65/489751165.db2.gz LSWJEQBQKBJVHC-CYBMUJFWSA-N 2 1 363.418 0.345 20 5 FCBDMP COc1ccc(OCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000420349352 489966800 /nfs/dbraw/zinc/96/68/00/489966800.db2.gz OPGUYYUATOFQDB-AWEZNQCLSA-N 2 1 350.419 0.962 20 5 FCBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420398896 489971348 /nfs/dbraw/zinc/97/13/48/489971348.db2.gz ZHEBTEVGGUIUMT-CYBMUJFWSA-N 2 1 352.391 0.982 20 5 FCBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420398896 489971351 /nfs/dbraw/zinc/97/13/51/489971351.db2.gz ZHEBTEVGGUIUMT-CYBMUJFWSA-N 2 1 352.391 0.982 20 5 FCBDMP CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000611236375 492282278 /nfs/dbraw/zinc/28/22/78/492282278.db2.gz KKLOVCDPPUYBLS-CYBMUJFWSA-N 2 1 350.423 0.569 20 5 FCBDMP CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000611236376 492282373 /nfs/dbraw/zinc/28/23/73/492282373.db2.gz KKLOVCDPPUYBLS-ZDUSSCGKSA-N 2 1 350.423 0.569 20 5 FCBDMP C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCN1CC[NH2+]CC1 ZINC000843349298 670803203 /nfs/dbraw/zinc/80/32/03/670803203.db2.gz SIYRQTLNKFBTLL-UHFFFAOYSA-N 2 1 353.398 0.900 20 5 FCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592424443 1196561822 /nfs/dbraw/zinc/56/18/22/1196561822.db2.gz NUFVJBHXINGBPS-GFCCVEGCSA-N 2 1 364.402 0.653 20 5 FCBDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000818968884 1203147780 /nfs/dbraw/zinc/14/77/80/1203147780.db2.gz ZWHJCUXHZSTAKM-HNNXBMFYSA-N 2 1 357.374 0.831 20 5 FCBDMP CCC[N@@H+]1C[C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157688403 1223080746 /nfs/dbraw/zinc/08/07/46/1223080746.db2.gz DGMBBXSHCPOYEJ-OKILXGFUSA-N 2 1 361.450 0.572 20 5 FCBDMP CC[NH+](CC)CCNC(=[NH2+])Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163122251 1223226529 /nfs/dbraw/zinc/22/65/29/1223226529.db2.gz FQIBXRJWEQYMSA-UHFFFAOYSA-N 3 1 365.442 0.072 20 5 FCBDMP O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000178955076 209066875 /nfs/dbraw/zinc/06/68/75/209066875.db2.gz JNTXXTCUYTWHMY-UHFFFAOYSA-N 2 1 368.459 0.901 20 5 FCBDMP Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000581440522 491773376 /nfs/dbraw/zinc/77/33/76/491773376.db2.gz ISVJCMLOJBLXQY-QWHCGFSZSA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1c(NC(=O)CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000581440522 491773378 /nfs/dbraw/zinc/77/33/78/491773378.db2.gz ISVJCMLOJBLXQY-QWHCGFSZSA-N 2 1 361.402 0.476 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000923354714 667827460 /nfs/dbraw/zinc/82/74/60/667827460.db2.gz VIWAXQOCQCUSSN-CABCVRRESA-N 2 1 350.419 0.314 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000923354717 667827571 /nfs/dbraw/zinc/82/75/71/667827571.db2.gz VIWAXQOCQCUSSN-LSDHHAIUSA-N 2 1 350.419 0.314 20 5 FCBDMP C[NH+](C)CCN1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001338461826 1267949113 /nfs/dbraw/zinc/94/91/13/1267949113.db2.gz PMXIRRKVMOBNEU-INIZCTEOSA-N 2 1 354.455 0.015 20 5 FCBDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217090 850719201 /nfs/dbraw/zinc/71/92/01/850719201.db2.gz LHODZRAPQWMPKS-RISCZKNCSA-N 2 1 351.407 0.920 20 5 FCBDMP O=C(NC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)[C@H]1CCC[NH2+]1 ZINC000261845748 488538069 /nfs/dbraw/zinc/53/80/69/488538069.db2.gz LYFLZJWQBWLMEA-UONOGXRCSA-N 2 1 350.423 0.372 20 5 FCBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174729277 488850986 /nfs/dbraw/zinc/85/09/86/488850986.db2.gz PFBMSGXJIYDKCY-QGZVFWFLSA-N 2 1 366.462 0.904 20 5 FCBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430606473 489752157 /nfs/dbraw/zinc/75/21/57/489752157.db2.gz VWQMJSAJBMGFCR-OLZOCXBDSA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430606473 489752160 /nfs/dbraw/zinc/75/21/60/489752160.db2.gz VWQMJSAJBMGFCR-OLZOCXBDSA-N 2 1 363.418 0.709 20 5 FCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430642725 489761497 /nfs/dbraw/zinc/76/14/97/489761497.db2.gz KRVWSZIKXNVOKF-CYBMUJFWSA-N 2 1 363.418 0.710 20 5 FCBDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000575797462 491561309 /nfs/dbraw/zinc/56/13/09/491561309.db2.gz WEQJUOYYZGLYQW-MRXNPFEDSA-N 2 1 355.439 0.631 20 5 FCBDMP Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000581440523 491773235 /nfs/dbraw/zinc/77/32/35/491773235.db2.gz ISVJCMLOJBLXQY-STQMWFEESA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1c(NC(=O)CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000581440523 491773237 /nfs/dbraw/zinc/77/32/37/491773237.db2.gz ISVJCMLOJBLXQY-STQMWFEESA-N 2 1 361.402 0.476 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000583204395 491840157 /nfs/dbraw/zinc/84/01/57/491840157.db2.gz JWTDDQVAIHYTBM-MRXNPFEDSA-N 2 1 353.419 0.771 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000923353740 667827688 /nfs/dbraw/zinc/82/76/88/667827688.db2.gz MHMRAECOMZRYAV-JKSUJKDBSA-N 2 1 350.419 0.314 20 5 FCBDMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026684 1199045061 /nfs/dbraw/zinc/04/50/61/1199045061.db2.gz YRTMXPVHSNIWKJ-YLFCFFPRSA-N 2 1 368.478 0.543 20 5 FCBDMP O=C([C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000923283766 1245705700 /nfs/dbraw/zinc/70/57/00/1245705700.db2.gz YCVKKXNNEBRXSK-NVXWUHKLSA-N 2 1 362.430 0.772 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000376493294 489742987 /nfs/dbraw/zinc/74/29/87/489742987.db2.gz VQGBPHJCOLVTLP-BMFZPTHFSA-N 2 1 350.419 0.940 20 5 FCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000376493294 489742992 /nfs/dbraw/zinc/74/29/92/489742992.db2.gz VQGBPHJCOLVTLP-BMFZPTHFSA-N 2 1 350.419 0.940 20 5 FCBDMP COc1ccc(OCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430621446 489756713 /nfs/dbraw/zinc/75/67/13/489756713.db2.gz JUHKMFAQDGJBKZ-CYBMUJFWSA-N 2 1 366.418 0.769 20 5 FCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430634219 489758834 /nfs/dbraw/zinc/75/88/34/489758834.db2.gz CZKRLPFGIAWVGN-CYBMUJFWSA-N 2 1 374.401 0.932 20 5 FCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430634219 489758837 /nfs/dbraw/zinc/75/88/37/489758837.db2.gz CZKRLPFGIAWVGN-CYBMUJFWSA-N 2 1 374.401 0.932 20 5 FCBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642351 489760931 /nfs/dbraw/zinc/76/09/31/489760931.db2.gz JZEVVFWPDNOWQW-CHWSQXEVSA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642351 489760936 /nfs/dbraw/zinc/76/09/36/489760936.db2.gz JZEVVFWPDNOWQW-CHWSQXEVSA-N 2 1 363.418 0.709 20 5 FCBDMP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490653770 489779219 /nfs/dbraw/zinc/77/92/19/489779219.db2.gz YIOFEHCADNPRPT-PVAVHDDUSA-N 2 1 366.466 0.110 20 5 FCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420397999 489971278 /nfs/dbraw/zinc/97/12/78/489971278.db2.gz YACDDUHOZKYSMX-ZDUSSCGKSA-N 2 1 352.391 0.982 20 5 FCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420397999 489971279 /nfs/dbraw/zinc/97/12/79/489971279.db2.gz YACDDUHOZKYSMX-ZDUSSCGKSA-N 2 1 352.391 0.982 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000514085816 490761786 /nfs/dbraw/zinc/76/17/86/490761786.db2.gz ZDBKJBGARBCJGX-CQSZACIVSA-N 2 1 362.434 0.640 20 5 FCBDMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000514085816 490761789 /nfs/dbraw/zinc/76/17/89/490761789.db2.gz ZDBKJBGARBCJGX-CQSZACIVSA-N 2 1 362.434 0.640 20 5 FCBDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000517651940 490915664 /nfs/dbraw/zinc/91/56/64/490915664.db2.gz TYOPEZNODDXSHA-UHFFFAOYSA-N 2 1 359.390 0.967 20 5 FCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000583263675 491841163 /nfs/dbraw/zinc/84/11/63/491841163.db2.gz MXFJPRADIZBCGM-HZPDHXFCSA-N 2 1 353.419 0.771 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875264 491869245 /nfs/dbraw/zinc/86/92/45/491869245.db2.gz GYOIVJTXTKLKOC-ZIAGYGMSSA-N 2 1 361.402 0.476 20 5 FCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875264 491869246 /nfs/dbraw/zinc/86/92/46/491869246.db2.gz GYOIVJTXTKLKOC-ZIAGYGMSSA-N 2 1 361.402 0.476 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923365024 667827960 /nfs/dbraw/zinc/82/79/60/667827960.db2.gz FGPWHQDJMGOABQ-HUUCEWRRSA-N 2 1 350.419 0.314 20 5 FCBDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000818968885 1203147628 /nfs/dbraw/zinc/14/76/28/1203147628.db2.gz ZWHJCUXHZSTAKM-OAHLLOKOSA-N 2 1 357.374 0.831 20 5 FCBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC[NH+](CCO)CCO)c1F ZINC001173176878 1206265874 /nfs/dbraw/zinc/26/58/74/1206265874.db2.gz NDKDDKRSPNFDNJ-ZDUSSCGKSA-N 2 1 373.425 0.940 20 5 FCBDMP C[NH+](C)CC1(O)CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001578412600 1275782303 /nfs/dbraw/zinc/78/23/03/1275782303.db2.gz RCWFNXQCICJPFK-INIZCTEOSA-N 2 1 350.419 0.684 20 5 FCBDMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415082087 245346475 /nfs/dbraw/zinc/34/64/75/245346475.db2.gz NUGBMBAOCVUFOA-CHWSQXEVSA-N 2 1 356.448 0.993 20 5 FCBDMP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261851669 488538677 /nfs/dbraw/zinc/53/86/77/488538677.db2.gz MLIBEWQCDOPWKN-OLZOCXBDSA-N 2 1 350.423 0.409 20 5 FCBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261851669 488538679 /nfs/dbraw/zinc/53/86/79/488538679.db2.gz MLIBEWQCDOPWKN-OLZOCXBDSA-N 2 1 350.423 0.409 20 5 FCBDMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000178004540 488859912 /nfs/dbraw/zinc/85/99/12/488859912.db2.gz YDGFGSADKXJEOJ-OLZOCXBDSA-N 2 1 356.448 0.945 20 5 FCBDMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000178004540 488859913 /nfs/dbraw/zinc/85/99/13/488859913.db2.gz YDGFGSADKXJEOJ-OLZOCXBDSA-N 2 1 356.448 0.945 20 5 FCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430605794 489751590 /nfs/dbraw/zinc/75/15/90/489751590.db2.gz SIYNWDKNQOURKS-CYBMUJFWSA-N 2 1 363.418 0.710 20 5 FCBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595901132 491960492 /nfs/dbraw/zinc/96/04/92/491960492.db2.gz ATTGBSLVOMQFNS-UHFFFAOYSA-N 2 1 352.391 0.636 20 5 FCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923365025 667828138 /nfs/dbraw/zinc/82/81/38/667828138.db2.gz FGPWHQDJMGOABQ-LSDHHAIUSA-N 2 1 350.419 0.314 20 5 FCBDMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169019754 1199042897 /nfs/dbraw/zinc/04/28/97/1199042897.db2.gz JFUCRYHRNMHMDF-QWHCGFSZSA-N 2 1 365.434 0.770 20 5 FCBDMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169019754 1199042900 /nfs/dbraw/zinc/04/29/00/1199042900.db2.gz JFUCRYHRNMHMDF-QWHCGFSZSA-N 2 1 365.434 0.770 20 5 FCBDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000818971437 1203147537 /nfs/dbraw/zinc/14/75/37/1203147537.db2.gz WUEHJKMLJTXHHH-OAHLLOKOSA-N 2 1 357.374 0.831 20 5 FCBDMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843362553 1222873938 /nfs/dbraw/zinc/87/39/38/1222873938.db2.gz KBUICYURUQQLRW-HUUCEWRRSA-N 2 1 361.446 0.913 20 5 FCBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843362553 1222873939 /nfs/dbraw/zinc/87/39/39/1222873939.db2.gz KBUICYURUQQLRW-HUUCEWRRSA-N 2 1 361.446 0.913 20 5 FCBDMP C[C@]([NH3+])(C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576082302 1272854004 /nfs/dbraw/zinc/85/40/04/1272854004.db2.gz XBSLVHCZKAICBC-RHSMWYFYSA-N 2 1 350.419 0.732 20 5 FCBDMP O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1C1C[NH2+]C1 ZINC001164968175 722078130 /nfs/dbraw/zinc/07/81/30/722078130.db2.gz UWARQUYTELSINP-OKILXGFUSA-N 2 1 360.418 0.371 20 5 FCBDMP