smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062984537 522551012 /nfs/dbraw/zinc/55/10/12/522551012.db2.gz NFSHCVAIFLYYAS-LLVKDONJSA-N 1 2 357.208 1.663 10 5 FDBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173730142 524446094 /nfs/dbraw/zinc/44/60/94/524446094.db2.gz CCGJVFHTLNUMKN-CYBMUJFWSA-N 1 2 350.400 1.953 10 5 FDBELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000115388911 524984135 /nfs/dbraw/zinc/98/41/35/524984135.db2.gz COKGSBMILBTIBT-UHFFFAOYSA-N 1 2 372.429 1.485 10 5 FDBELO CC[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000117372014 525330598 /nfs/dbraw/zinc/33/05/98/525330598.db2.gz VDXLKGDYHMOJSV-OAHLLOKOSA-N 1 2 371.459 1.467 10 5 FDBELO CC[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000117372014 525330604 /nfs/dbraw/zinc/33/06/04/525330604.db2.gz VDXLKGDYHMOJSV-OAHLLOKOSA-N 1 2 371.459 1.467 10 5 FDBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106071558 525561971 /nfs/dbraw/zinc/56/19/71/525561971.db2.gz XJVMKLDGJCSKOT-AWEZNQCLSA-N 1 2 370.413 1.924 10 5 FDBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106071558 525561972 /nfs/dbraw/zinc/56/19/72/525561972.db2.gz XJVMKLDGJCSKOT-AWEZNQCLSA-N 1 2 370.413 1.924 10 5 FDBELO Cc1ccc(N2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000106074800 525564765 /nfs/dbraw/zinc/56/47/65/525564765.db2.gz QKCXNAMDXVEONB-UHFFFAOYSA-N 1 2 370.413 1.844 10 5 FDBELO Cc1ccc(N2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000106074800 525564771 /nfs/dbraw/zinc/56/47/71/525564771.db2.gz QKCXNAMDXVEONB-UHFFFAOYSA-N 1 2 370.413 1.844 10 5 FDBELO COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1C ZINC000188422578 536292663 /nfs/dbraw/zinc/29/26/63/536292663.db2.gz ACHRCDGJLFIHHW-MLGOLLRUSA-N 1 2 363.414 1.705 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000247154978 537088138 /nfs/dbraw/zinc/08/81/38/537088138.db2.gz QBVSLYWOZXWOLC-CYBMUJFWSA-N 1 2 371.459 1.635 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000247154978 537088141 /nfs/dbraw/zinc/08/81/41/537088141.db2.gz QBVSLYWOZXWOLC-CYBMUJFWSA-N 1 2 371.459 1.635 10 5 FDBELO Cc1ncc(C[NH+]2CCN(Cn3nc(C)c([N+](=O)[O-])c3C)CC2)s1 ZINC000111164987 671630391 /nfs/dbraw/zinc/63/03/91/671630391.db2.gz KXUAEOVGFHBFDP-UHFFFAOYSA-N 1 2 350.448 1.948 10 5 FDBELO C[C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000119276335 172745441 /nfs/dbraw/zinc/74/54/41/172745441.db2.gz REEFUSLDPVPNJX-HNNXBMFYSA-N 1 2 364.446 1.937 10 5 FDBELO CCc1nn(C)c(NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)c1[N+](=O)[O-] ZINC000129162133 173130394 /nfs/dbraw/zinc/13/03/94/173130394.db2.gz AYYHRNAFKDCNGX-LLVKDONJSA-N 1 2 360.422 1.803 10 5 FDBELO CCc1nn(C)c(NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)c1[N+](=O)[O-] ZINC000129162133 173130397 /nfs/dbraw/zinc/13/03/97/173130397.db2.gz AYYHRNAFKDCNGX-LLVKDONJSA-N 1 2 360.422 1.803 10 5 FDBELO Cc1ncc(C[NH+]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)s1 ZINC000131802299 173213884 /nfs/dbraw/zinc/21/38/84/173213884.db2.gz KGHWLKRHSFUPBX-UHFFFAOYSA-N 1 2 363.443 1.339 10 5 FDBELO Cc1ncc(CN2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)s1 ZINC000131802299 173213886 /nfs/dbraw/zinc/21/38/86/173213886.db2.gz KGHWLKRHSFUPBX-UHFFFAOYSA-N 1 2 363.443 1.339 10 5 FDBELO COc1cc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000150822206 173382841 /nfs/dbraw/zinc/38/28/41/173382841.db2.gz RXJGKZZHBOQACC-GFCCVEGCSA-N 1 2 366.399 1.653 10 5 FDBELO O=C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173995684 258316442 /nfs/dbraw/zinc/31/64/42/258316442.db2.gz CYBUUNAXTGKCTL-CYBMUJFWSA-N 1 2 368.821 1.593 10 5 FDBELO O=C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173995684 258316443 /nfs/dbraw/zinc/31/64/43/258316443.db2.gz CYBUUNAXTGKCTL-CYBMUJFWSA-N 1 2 368.821 1.593 10 5 FDBELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173995684 258316444 /nfs/dbraw/zinc/31/64/44/258316444.db2.gz CYBUUNAXTGKCTL-CYBMUJFWSA-N 1 2 368.821 1.593 10 5 FDBELO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173984998 524496464 /nfs/dbraw/zinc/49/64/64/524496464.db2.gz JXLHJQOFOLVGNT-ZDUSSCGKSA-N 1 2 368.821 1.593 10 5 FDBELO O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173984998 524496473 /nfs/dbraw/zinc/49/64/73/524496473.db2.gz JXLHJQOFOLVGNT-ZDUSSCGKSA-N 1 2 368.821 1.593 10 5 FDBELO O=C(C[N@H+]1CC[C@H](N2CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173984998 524496479 /nfs/dbraw/zinc/49/64/79/524496479.db2.gz JXLHJQOFOLVGNT-ZDUSSCGKSA-N 1 2 368.821 1.593 10 5 FDBELO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000106071614 525560703 /nfs/dbraw/zinc/56/07/03/525560703.db2.gz UJOIRSPGTUFLTK-UHFFFAOYSA-N 1 2 356.386 1.536 10 5 FDBELO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000106071614 525560709 /nfs/dbraw/zinc/56/07/09/525560709.db2.gz UJOIRSPGTUFLTK-UHFFFAOYSA-N 1 2 356.386 1.536 10 5 FDBELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cn1 ZINC000109655990 526157049 /nfs/dbraw/zinc/15/70/49/526157049.db2.gz MYTXNZUZKJVYAN-UHFFFAOYSA-N 1 2 358.402 1.259 10 5 FDBELO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cn1 ZINC000109655990 526157052 /nfs/dbraw/zinc/15/70/52/526157052.db2.gz MYTXNZUZKJVYAN-UHFFFAOYSA-N 1 2 358.402 1.259 10 5 FDBELO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000246877268 537043779 /nfs/dbraw/zinc/04/37/79/537043779.db2.gz WQMZHJGNBVIEAO-XJKSGUPXSA-N 1 2 369.443 1.077 10 5 FDBELO COc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000173732156 258308758 /nfs/dbraw/zinc/30/87/58/258308758.db2.gz KBLWAFIGDNZWEY-GFCCVEGCSA-N 1 2 366.399 1.653 10 5 FDBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173733112 258309160 /nfs/dbraw/zinc/30/91/60/258309160.db2.gz RNGVMTOOZKAFBC-ZDUSSCGKSA-N 1 2 350.400 1.953 10 5 FDBELO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062984536 522550616 /nfs/dbraw/zinc/55/06/16/522550616.db2.gz NFSHCVAIFLYYAS-NSHDSACASA-N 1 2 357.208 1.663 10 5 FDBELO COc1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000121012859 524126720 /nfs/dbraw/zinc/12/67/20/524126720.db2.gz GBUFRZXBCAOJCC-AWEZNQCLSA-N 1 2 351.403 1.519 10 5 FDBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106071505 525562775 /nfs/dbraw/zinc/56/27/75/525562775.db2.gz AKWQDEYSLDSQTP-AWEZNQCLSA-N 1 2 370.413 1.924 10 5 FDBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106071505 525562778 /nfs/dbraw/zinc/56/27/78/525562778.db2.gz AKWQDEYSLDSQTP-AWEZNQCLSA-N 1 2 370.413 1.924 10 5 FDBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](n2cncn2)C1 ZINC000171661977 526064316 /nfs/dbraw/zinc/06/43/16/526064316.db2.gz KECGOKZOILLORO-CQSZACIVSA-N 1 2 367.369 1.849 10 5 FDBELO COc1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1C ZINC000188422555 536292685 /nfs/dbraw/zinc/29/26/85/536292685.db2.gz ACHRCDGJLFIHHW-BLLLJJGKSA-N 1 2 363.414 1.705 10 5 FDBELO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000247570903 537135638 /nfs/dbraw/zinc/13/56/38/537135638.db2.gz HEDGCBRPTSOEBB-CHWSQXEVSA-N 1 2 374.401 1.859 10 5 FDBELO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000247570903 537135641 /nfs/dbraw/zinc/13/56/41/537135641.db2.gz HEDGCBRPTSOEBB-CHWSQXEVSA-N 1 2 374.401 1.859 10 5 FDBELO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@@H+]1C[C@H](C)O ZINC000276211998 537334363 /nfs/dbraw/zinc/33/43/63/537334363.db2.gz KDBCWHDDPPCDTC-STQMWFEESA-N 1 2 371.459 1.280 10 5 FDBELO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@H+]1C[C@H](C)O ZINC000276211998 537334369 /nfs/dbraw/zinc/33/43/69/537334369.db2.gz KDBCWHDDPPCDTC-STQMWFEESA-N 1 2 371.459 1.280 10 5 FDBELO C[N@@H+]1CCO[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000194750320 178224178 /nfs/dbraw/zinc/22/41/78/178224178.db2.gz INTYDBAMEVTWLF-OAHLLOKOSA-N 1 2 362.430 1.258 10 5 FDBELO C[N@H+]1CCO[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000194750320 178224179 /nfs/dbraw/zinc/22/41/79/178224179.db2.gz INTYDBAMEVTWLF-OAHLLOKOSA-N 1 2 362.430 1.258 10 5 FDBELO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1CC ZINC000116977169 525264013 /nfs/dbraw/zinc/26/40/13/525264013.db2.gz DFSQUEUYJLXHCD-CQSZACIVSA-N 1 2 351.403 1.873 10 5 FDBELO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1CC ZINC000116977169 525264014 /nfs/dbraw/zinc/26/40/14/525264014.db2.gz DFSQUEUYJLXHCD-CQSZACIVSA-N 1 2 351.403 1.873 10 5 FDBELO CN(C(=O)C[N@@H+]1CCCN(c2cccnn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000106070061 525559807 /nfs/dbraw/zinc/55/98/07/525559807.db2.gz ZKMOGYLISUGPJQ-UHFFFAOYSA-N 1 2 370.413 1.560 10 5 FDBELO CN(C(=O)C[N@H+]1CCCN(c2cccnn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000106070061 525559814 /nfs/dbraw/zinc/55/98/14/525559814.db2.gz ZKMOGYLISUGPJQ-UHFFFAOYSA-N 1 2 370.413 1.560 10 5 FDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000106092672 525574666 /nfs/dbraw/zinc/57/46/66/525574666.db2.gz ZDMUWAWABVAHLK-ZDUSSCGKSA-N 1 2 353.386 1.916 10 5 FDBELO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000183596127 536010952 /nfs/dbraw/zinc/01/09/52/536010952.db2.gz UFVNBAFIYYLHPC-QGZVFWFLSA-N 1 2 371.397 1.873 10 5 FDBELO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000090524156 172265720 /nfs/dbraw/zinc/26/57/20/172265720.db2.gz MRSWTGWBGOQNNL-OAHLLOKOSA-N 1 2 372.429 1.912 10 5 FDBELO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000090524156 172265722 /nfs/dbraw/zinc/26/57/22/172265722.db2.gz MRSWTGWBGOQNNL-OAHLLOKOSA-N 1 2 372.429 1.912 10 5 FDBELO Cc1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)cc1[N+](=O)[O-] ZINC000120477243 172801112 /nfs/dbraw/zinc/80/11/12/172801112.db2.gz IDWPQWMEFZTJMO-UHFFFAOYSA-N 1 2 353.386 1.663 10 5 FDBELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177680861 174150392 /nfs/dbraw/zinc/15/03/92/174150392.db2.gz DUXCRYKOOLVRCI-ZDUSSCGKSA-N 1 2 367.369 1.945 10 5 FDBELO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000184597192 258382331 /nfs/dbraw/zinc/38/23/31/258382331.db2.gz FZRLDNPNKXNCMD-AWEZNQCLSA-N 1 2 350.400 1.786 10 5 FDBELO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301128813 259021575 /nfs/dbraw/zinc/02/15/75/259021575.db2.gz WJPYSNPMUNTTIF-UHFFFAOYSA-N 1 2 359.386 1.621 10 5 FDBELO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC[N@@H+]1C[C@H](C)O ZINC000301784867 259033349 /nfs/dbraw/zinc/03/33/49/259033349.db2.gz KRXFNPGEPTZJHD-QWHCGFSZSA-N 1 2 371.459 1.280 10 5 FDBELO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC[N@H+]1C[C@H](C)O ZINC000301784867 259033350 /nfs/dbraw/zinc/03/33/50/259033350.db2.gz KRXFNPGEPTZJHD-QWHCGFSZSA-N 1 2 371.459 1.280 10 5 FDBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173729746 524447106 /nfs/dbraw/zinc/44/71/06/524447106.db2.gz UFFRVMCLXVPXQI-ZDUSSCGKSA-N 1 2 366.399 1.653 10 5 FDBELO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCOCC1 ZINC000159644628 524712229 /nfs/dbraw/zinc/71/22/29/524712229.db2.gz NFRXFXPGQKWNCH-JTQLQIEISA-N 1 2 372.219 1.808 10 5 FDBELO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCOCC1 ZINC000159644751 524712429 /nfs/dbraw/zinc/71/24/29/524712429.db2.gz NFRXFXPGQKWNCH-SNVBAGLBSA-N 1 2 372.219 1.808 10 5 FDBELO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@H]1C ZINC000124720441 525060476 /nfs/dbraw/zinc/06/04/76/525060476.db2.gz FHZNFZVWVYTSFR-GFCCVEGCSA-N 1 2 357.432 1.155 10 5 FDBELO COCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@H]1C ZINC000124720441 525060486 /nfs/dbraw/zinc/06/04/86/525060486.db2.gz FHZNFZVWVYTSFR-GFCCVEGCSA-N 1 2 357.432 1.155 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000154006761 525391416 /nfs/dbraw/zinc/39/14/16/525391416.db2.gz MUCULIIEKVFXGN-AWEZNQCLSA-N 1 2 371.459 1.467 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000154006761 525391425 /nfs/dbraw/zinc/39/14/25/525391425.db2.gz MUCULIIEKVFXGN-AWEZNQCLSA-N 1 2 371.459 1.467 10 5 FDBELO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1[NH+]1CCOCC1 ZINC000246489971 536964226 /nfs/dbraw/zinc/96/42/26/536964226.db2.gz PITVJRGSRHHKOR-XJKSGUPXSA-N 1 2 373.413 1.797 10 5 FDBELO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCOCC2)c(Br)c1 ZINC000269355250 180282397 /nfs/dbraw/zinc/28/23/97/180282397.db2.gz LBBQZZJIUNPHGL-NSHDSACASA-N 1 2 360.208 1.462 10 5 FDBELO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000171527332 258266415 /nfs/dbraw/zinc/26/64/15/258266415.db2.gz RLTRTKSARLLEOQ-OAHLLOKOSA-N 1 2 356.386 1.413 10 5 FDBELO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000171527332 258266416 /nfs/dbraw/zinc/26/64/16/258266416.db2.gz RLTRTKSARLLEOQ-OAHLLOKOSA-N 1 2 356.386 1.413 10 5 FDBELO CSc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000172757948 258284235 /nfs/dbraw/zinc/28/42/35/258284235.db2.gz QMLZVISFJKLMTC-CYBMUJFWSA-N 1 2 351.428 1.863 10 5 FDBELO Cn1cc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301292562 259024955 /nfs/dbraw/zinc/02/49/55/259024955.db2.gz PWUIFOQUYIHAQX-OAHLLOKOSA-N 1 2 367.431 1.447 10 5 FDBELO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000028398193 519236593 /nfs/dbraw/zinc/23/65/93/519236593.db2.gz UDHZWBXBAKHARO-ZDUSSCGKSA-N 1 2 351.407 1.027 10 5 FDBELO Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000080826980 523909195 /nfs/dbraw/zinc/90/91/95/523909195.db2.gz GYLDKFRPDAABFM-UHFFFAOYSA-N 1 2 369.443 1.389 10 5 FDBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000173729869 524445741 /nfs/dbraw/zinc/44/57/41/524445741.db2.gz IATIUHXJRJAAJH-LBPRGKRZSA-N 1 2 354.363 1.784 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000117368837 525327050 /nfs/dbraw/zinc/32/70/50/525327050.db2.gz MPIYYAUTYRGEAI-AWEZNQCLSA-N 1 2 371.459 1.467 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000117368837 525327058 /nfs/dbraw/zinc/32/70/58/525327058.db2.gz MPIYYAUTYRGEAI-AWEZNQCLSA-N 1 2 371.459 1.467 10 5 FDBELO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000155687327 525946107 /nfs/dbraw/zinc/94/61/07/525946107.db2.gz WQMZHJGNBVIEAO-BBRMVZONSA-N 1 2 369.443 1.077 10 5 FDBELO CCc1n[nH]c(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171813554 526132994 /nfs/dbraw/zinc/13/29/94/526132994.db2.gz DQZDGFMHKVLMQR-OAHLLOKOSA-N 1 2 373.413 1.372 10 5 FDBELO CCc1[nH]nc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171813554 526132999 /nfs/dbraw/zinc/13/29/99/526132999.db2.gz DQZDGFMHKVLMQR-OAHLLOKOSA-N 1 2 373.413 1.372 10 5 FDBELO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1CC ZINC000186577494 536237544 /nfs/dbraw/zinc/23/75/44/536237544.db2.gz CUPAUBYFGRYHAJ-CYBMUJFWSA-N 1 2 351.403 1.873 10 5 FDBELO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1CC ZINC000186577494 536237545 /nfs/dbraw/zinc/23/75/45/536237545.db2.gz CUPAUBYFGRYHAJ-CYBMUJFWSA-N 1 2 351.403 1.873 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000246958649 537058400 /nfs/dbraw/zinc/05/84/00/537058400.db2.gz DIHZVGCAQZDBOW-CQSZACIVSA-N 1 2 371.459 1.635 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000246958649 537058402 /nfs/dbraw/zinc/05/84/02/537058402.db2.gz DIHZVGCAQZDBOW-CQSZACIVSA-N 1 2 371.459 1.635 10 5 FDBELO Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177680873 174150403 /nfs/dbraw/zinc/15/04/03/174150403.db2.gz DUXCRYKOOLVRCI-CYBMUJFWSA-N 1 2 367.369 1.945 10 5 FDBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000173958689 258315383 /nfs/dbraw/zinc/31/53/83/258315383.db2.gz NCWCUCYUPOXJJU-GUYCJALGSA-N 1 2 362.430 1.454 10 5 FDBELO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000173969859 258316066 /nfs/dbraw/zinc/31/60/66/258316066.db2.gz LCBVDEQTZPJPJF-ABAIWWIYSA-N 1 2 359.386 1.264 10 5 FDBELO COCC[N@H+]1[C@H](C)CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000301899945 259035635 /nfs/dbraw/zinc/03/56/35/259035635.db2.gz UGSVXSJEGRYBCN-BETUJISGSA-N 1 2 371.459 1.544 10 5 FDBELO COCC[N@@H+]1[C@H](C)CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000301899945 259035636 /nfs/dbraw/zinc/03/56/36/259035636.db2.gz UGSVXSJEGRYBCN-BETUJISGSA-N 1 2 371.459 1.544 10 5 FDBELO CCOCC[N@@H+]1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C[C@H]1CC ZINC000172081148 524113558 /nfs/dbraw/zinc/11/35/58/524113558.db2.gz FDMQZPYMYMFGRV-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO CCOCC[N@H+]1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C[C@H]1CC ZINC000172081148 524113562 /nfs/dbraw/zinc/11/35/62/524113562.db2.gz FDMQZPYMYMFGRV-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO CCOCC[N@@H+]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C[C@H]1CC ZINC000172081148 524113572 /nfs/dbraw/zinc/11/35/72/524113572.db2.gz FDMQZPYMYMFGRV-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO CCOCC[N@H+]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C[C@H]1CC ZINC000172081148 524113579 /nfs/dbraw/zinc/11/35/79/524113579.db2.gz FDMQZPYMYMFGRV-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112664658 524530133 /nfs/dbraw/zinc/53/01/33/524530133.db2.gz OZDZZTJJROYARF-UHFFFAOYSA-N 1 2 360.418 1.932 10 5 FDBELO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000160831300 524978534 /nfs/dbraw/zinc/97/85/34/524978534.db2.gz GPKYIAQUZNWOKG-SNVBAGLBSA-N 1 2 372.219 1.808 10 5 FDBELO C[N@@H+]1CCO[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116739809 525202668 /nfs/dbraw/zinc/20/26/68/525202668.db2.gz GBWAREGWOQCWKH-GFCCVEGCSA-N 1 2 357.794 1.464 10 5 FDBELO C[N@H+]1CCO[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116739809 525202679 /nfs/dbraw/zinc/20/26/79/525202679.db2.gz GBWAREGWOQCWKH-GFCCVEGCSA-N 1 2 357.794 1.464 10 5 FDBELO CN(C(=O)C[NH+]1CCC(Nc2cccnn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000106081370 525567647 /nfs/dbraw/zinc/56/76/47/525567647.db2.gz LNPDVSRJHJDFRI-UHFFFAOYSA-N 1 2 370.413 1.924 10 5 FDBELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000184194482 536113292 /nfs/dbraw/zinc/11/32/92/536113292.db2.gz MEWCQKDQHURGPU-MRXNPFEDSA-N 1 2 350.419 1.624 10 5 FDBELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000184194482 536113295 /nfs/dbraw/zinc/11/32/95/536113295.db2.gz MEWCQKDQHURGPU-MRXNPFEDSA-N 1 2 350.419 1.624 10 5 FDBELO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1[NH+]1CCOCC1 ZINC000246489960 536964424 /nfs/dbraw/zinc/96/44/24/536964424.db2.gz PITVJRGSRHHKOR-CZUORRHYSA-N 1 2 373.413 1.797 10 5 FDBELO CC(C)c1nc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000246916007 537050928 /nfs/dbraw/zinc/05/09/28/537050928.db2.gz IOMZJJZJEKIHEM-CHWSQXEVSA-N 1 2 350.379 1.496 10 5 FDBELO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000246916007 537050931 /nfs/dbraw/zinc/05/09/31/537050931.db2.gz IOMZJJZJEKIHEM-CHWSQXEVSA-N 1 2 350.379 1.496 10 5 FDBELO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000193411103 178162163 /nfs/dbraw/zinc/16/21/63/178162163.db2.gz ACALAVFHLHHYDJ-INIZCTEOSA-N 1 2 363.462 1.408 10 5 FDBELO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172766143 258284913 /nfs/dbraw/zinc/28/49/13/258284913.db2.gz SSZMYZSUIGXUSC-MRXNPFEDSA-N 1 2 374.441 1.742 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000173413709 258298244 /nfs/dbraw/zinc/29/82/44/258298244.db2.gz RSZYKTYMUDWOKD-CQSZACIVSA-N 1 2 370.413 1.754 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccccc2[N+](=O)[O-])[nH+]cn1 ZINC000173413709 258298245 /nfs/dbraw/zinc/29/82/45/258298245.db2.gz RSZYKTYMUDWOKD-CQSZACIVSA-N 1 2 370.413 1.754 10 5 FDBELO Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000106133509 172423782 /nfs/dbraw/zinc/42/37/82/172423782.db2.gz GFGNHHHLZZTJBF-NSHDSACASA-N 1 2 374.401 1.264 10 5 FDBELO Cc1cc(C)n(C[C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000137048762 173367248 /nfs/dbraw/zinc/36/72/48/173367248.db2.gz MZTOCFVYODLZNW-MSOLQXFVSA-N 1 2 360.414 1.843 10 5 FDBELO Cc1cc(C)n(C[C@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000137048762 173367250 /nfs/dbraw/zinc/36/72/50/173367250.db2.gz MZTOCFVYODLZNW-MSOLQXFVSA-N 1 2 360.414 1.843 10 5 FDBELO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000177278286 174118621 /nfs/dbraw/zinc/11/86/21/174118621.db2.gz XJBWFUDPFCWVMB-KDOFPFPSSA-N 1 2 374.441 1.136 10 5 FDBELO Cc1nnc([C@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)[nH]1 ZINC000173672172 258307192 /nfs/dbraw/zinc/30/71/92/258307192.db2.gz FXMCFCXZOYNDKS-OAHLLOKOSA-N 1 2 374.401 1.732 10 5 FDBELO Cc1nnc([C@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)[nH]1 ZINC000173672172 258307193 /nfs/dbraw/zinc/30/71/93/258307193.db2.gz FXMCFCXZOYNDKS-OAHLLOKOSA-N 1 2 374.401 1.732 10 5 FDBELO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000246605238 258397523 /nfs/dbraw/zinc/39/75/23/258397523.db2.gz WFJVXDJOVSJBPF-CJNGLKHVSA-N 1 2 369.443 1.244 10 5 FDBELO O=C(C[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000302866405 259047237 /nfs/dbraw/zinc/04/72/37/259047237.db2.gz VIOYOKKEEYDXGF-UHFFFAOYSA-N 1 2 350.394 1.868 10 5 FDBELO O=C(NC1CC1)c1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000066745807 523187194 /nfs/dbraw/zinc/18/71/94/523187194.db2.gz RIODWSSNDJMTAN-HNNXBMFYSA-N 1 2 360.414 1.762 10 5 FDBELO O=C(NC1CC1)c1ccc(NC[C@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000066745807 523187201 /nfs/dbraw/zinc/18/72/01/523187201.db2.gz RIODWSSNDJMTAN-HNNXBMFYSA-N 1 2 360.414 1.762 10 5 FDBELO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117291342 525308236 /nfs/dbraw/zinc/30/82/36/525308236.db2.gz YDWPXAFIRMWRJO-NSHDSACASA-N 1 2 352.347 1.296 10 5 FDBELO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117291342 525308240 /nfs/dbraw/zinc/30/82/40/525308240.db2.gz YDWPXAFIRMWRJO-NSHDSACASA-N 1 2 352.347 1.296 10 5 FDBELO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117425219 525337681 /nfs/dbraw/zinc/33/76/81/525337681.db2.gz KMRQHMMAXJNCQD-NSHDSACASA-N 1 2 366.374 1.604 10 5 FDBELO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117425219 525337685 /nfs/dbraw/zinc/33/76/85/525337685.db2.gz KMRQHMMAXJNCQD-NSHDSACASA-N 1 2 366.374 1.604 10 5 FDBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000182227200 526100447 /nfs/dbraw/zinc/10/04/47/526100447.db2.gz MMYDWWRPGNDDCM-UHFFFAOYSA-N 1 2 364.427 1.971 10 5 FDBELO COc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188422599 536292757 /nfs/dbraw/zinc/29/27/57/536292757.db2.gz ACHRCDGJLFIHHW-LRDDRELGSA-N 1 2 363.414 1.705 10 5 FDBELO O=C(NC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1)C1CC1 ZINC000189415057 537043017 /nfs/dbraw/zinc/04/30/17/537043017.db2.gz GMMDKFCXXUVDCV-UHFFFAOYSA-N 1 2 355.354 1.131 10 5 FDBELO C[N@@H+]1CCO[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000194724450 537321623 /nfs/dbraw/zinc/32/16/23/537321623.db2.gz NXAGFHNURQGYRS-OAHLLOKOSA-N 1 2 365.433 1.602 10 5 FDBELO C[N@H+]1CCO[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000194724450 537321631 /nfs/dbraw/zinc/32/16/31/537321631.db2.gz NXAGFHNURQGYRS-OAHLLOKOSA-N 1 2 365.433 1.602 10 5 FDBELO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173728916 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1.418 10 5 FDBELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263115223 672862707 /nfs/dbraw/zinc/86/27/07/672862707.db2.gz AOHVLWHAHAMUSA-AWEZNQCLSA-N 1 2 355.341 1.962 10 5 FDBELO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000090524157 172265616 /nfs/dbraw/zinc/26/56/16/172265616.db2.gz MRSWTGWBGOQNNL-HNNXBMFYSA-N 1 2 372.429 1.912 10 5 FDBELO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000090524157 172265618 /nfs/dbraw/zinc/26/56/18/172265618.db2.gz MRSWTGWBGOQNNL-HNNXBMFYSA-N 1 2 372.429 1.912 10 5 FDBELO CCOc1cc(C)nc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000176233272 174060210 /nfs/dbraw/zinc/06/02/10/174060210.db2.gz HLEZHCFCNYKDTP-UHFFFAOYSA-N 1 2 361.406 1.111 10 5 FDBELO Cn1cc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[NH+](C)C)cn1 ZINC000302627000 259043906 /nfs/dbraw/zinc/04/39/06/259043906.db2.gz IHYGENIXDGGBFU-CQSZACIVSA-N 1 2 367.431 1.447 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000117368684 525328009 /nfs/dbraw/zinc/32/80/09/525328009.db2.gz QDUVVFSZAQHBIW-ZDUSSCGKSA-N 1 2 357.432 1.326 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000117368684 525328011 /nfs/dbraw/zinc/32/80/11/525328011.db2.gz QDUVVFSZAQHBIW-ZDUSSCGKSA-N 1 2 357.432 1.326 10 5 FDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000109658583 526155526 /nfs/dbraw/zinc/15/55/26/526155526.db2.gz QLLYCJCYVBVCAY-UHFFFAOYSA-N 1 2 357.414 1.985 10 5 FDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000109658583 526155531 /nfs/dbraw/zinc/15/55/31/526155531.db2.gz QLLYCJCYVBVCAY-UHFFFAOYSA-N 1 2 357.414 1.985 10 5 FDBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)cn1 ZINC000187075944 536254157 /nfs/dbraw/zinc/25/41/57/536254157.db2.gz DWAMMUVERRYJTF-UHFFFAOYSA-N 1 2 374.401 1.260 10 5 FDBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)cn1 ZINC000187075944 536254158 /nfs/dbraw/zinc/25/41/58/536254158.db2.gz DWAMMUVERRYJTF-UHFFFAOYSA-N 1 2 374.401 1.260 10 5 FDBELO COCC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000191978032 537216143 /nfs/dbraw/zinc/21/61/43/537216143.db2.gz GBORFSDFXWNLJE-CQSZACIVSA-N 1 2 371.459 1.553 10 5 FDBELO COCC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000191978032 537216145 /nfs/dbraw/zinc/21/61/45/537216145.db2.gz GBORFSDFXWNLJE-CQSZACIVSA-N 1 2 371.459 1.553 10 5 FDBELO Cc1noc([C@H](C)N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000137045058 173367443 /nfs/dbraw/zinc/36/74/43/173367443.db2.gz ASVFSRKYGQVVRR-BLLLJJGKSA-N 1 2 361.402 1.698 10 5 FDBELO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176185304 174057089 /nfs/dbraw/zinc/05/70/89/174057089.db2.gz BTLFVQPCMCQFMD-OAHLLOKOSA-N 1 2 357.370 1.212 10 5 FDBELO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000177238121 174117542 /nfs/dbraw/zinc/11/75/42/174117542.db2.gz OYRLUOZAXRIESP-KSSFIOAISA-N 1 2 374.441 1.136 10 5 FDBELO Cc1nnc([C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)[nH]1 ZINC000173672154 258306757 /nfs/dbraw/zinc/30/67/57/258306757.db2.gz FXMCFCXZOYNDKS-HNNXBMFYSA-N 1 2 374.401 1.732 10 5 FDBELO Cc1nnc([C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCO2)[nH]1 ZINC000173672154 258306758 /nfs/dbraw/zinc/30/67/58/258306758.db2.gz FXMCFCXZOYNDKS-HNNXBMFYSA-N 1 2 374.401 1.732 10 5 FDBELO CC(C)c1nc(C2([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCCC2)no1 ZINC000173705473 258308287 /nfs/dbraw/zinc/30/82/87/258308287.db2.gz WYVLMIXQQSSLMF-ZDUSSCGKSA-N 1 2 364.406 1.718 10 5 FDBELO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000124717211 525057898 /nfs/dbraw/zinc/05/78/98/525057898.db2.gz KRXFNPGEPTZJHD-CHWSQXEVSA-N 1 2 371.459 1.280 10 5 FDBELO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC[N@H+]1C[C@@H](C)O ZINC000124717211 525057910 /nfs/dbraw/zinc/05/79/10/525057910.db2.gz KRXFNPGEPTZJHD-CHWSQXEVSA-N 1 2 371.459 1.280 10 5 FDBELO CC[C@H](O)CN1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000118857187 525565678 /nfs/dbraw/zinc/56/56/78/525565678.db2.gz BKOADSHSWHGIPW-INIZCTEOSA-N 1 2 364.446 1.620 10 5 FDBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1 ZINC000109659060 526156537 /nfs/dbraw/zinc/15/65/37/526156537.db2.gz GSNZDMOCLNJUCV-UHFFFAOYSA-N 1 2 373.413 1.685 10 5 FDBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1 ZINC000109659060 526156546 /nfs/dbraw/zinc/15/65/46/526156546.db2.gz GSNZDMOCLNJUCV-UHFFFAOYSA-N 1 2 373.413 1.685 10 5 FDBELO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000182532625 526200557 /nfs/dbraw/zinc/20/05/57/526200557.db2.gz UMXQQUZQXSRFPM-JTQLQIEISA-N 1 2 363.823 1.166 10 5 FDBELO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000182532625 526200562 /nfs/dbraw/zinc/20/05/62/526200562.db2.gz UMXQQUZQXSRFPM-JTQLQIEISA-N 1 2 363.823 1.166 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247101224 537081178 /nfs/dbraw/zinc/08/11/78/537081178.db2.gz MPIYYAUTYRGEAI-CQSZACIVSA-N 1 2 371.459 1.467 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247101224 537081182 /nfs/dbraw/zinc/08/11/82/537081182.db2.gz MPIYYAUTYRGEAI-CQSZACIVSA-N 1 2 371.459 1.467 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000248758063 537211476 /nfs/dbraw/zinc/21/14/76/537211476.db2.gz WWIKZRTUVFSKDR-CYBMUJFWSA-N 1 2 357.432 1.326 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000248758063 537211477 /nfs/dbraw/zinc/21/14/77/537211477.db2.gz WWIKZRTUVFSKDR-CYBMUJFWSA-N 1 2 357.432 1.326 10 5 FDBELO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)s1 ZINC000192451572 178114670 /nfs/dbraw/zinc/11/46/70/178114670.db2.gz NELVACQYGNCORA-CYBMUJFWSA-N 1 2 364.427 1.613 10 5 FDBELO CC(C)N1CCO[C@H](C[NH+]2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000193411095 178162516 /nfs/dbraw/zinc/16/25/16/178162516.db2.gz ACALAVFHLHHYDJ-MRXNPFEDSA-N 1 2 363.462 1.408 10 5 FDBELO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1[NH+]1CCOCC1 ZINC000246595700 178438101 /nfs/dbraw/zinc/43/81/01/178438101.db2.gz VNKWDXUHAYUXKD-SJKOYZFVSA-N 1 2 360.414 1.636 10 5 FDBELO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000177233331 174116203 /nfs/dbraw/zinc/11/62/03/174116203.db2.gz HASUBCPHTWICLY-YOEHRIQHSA-N 1 2 362.430 1.210 10 5 FDBELO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177757324 174155189 /nfs/dbraw/zinc/15/51/89/174155189.db2.gz KRDIAWDBNSNEFP-CQSZACIVSA-N 1 2 367.369 1.677 10 5 FDBELO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000182202865 177507954 /nfs/dbraw/zinc/50/79/54/177507954.db2.gz YDSRWWMSONHUDF-GFCCVEGCSA-N 1 2 371.340 1.743 10 5 FDBELO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000173713641 258308308 /nfs/dbraw/zinc/30/83/08/258308308.db2.gz YAFZRYWVSQWJER-ZDUSSCGKSA-N 1 2 362.390 1.472 10 5 FDBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000173958676 258315623 /nfs/dbraw/zinc/31/56/23/258315623.db2.gz NCWCUCYUPOXJJU-DYVFJYSZSA-N 1 2 362.430 1.454 10 5 FDBELO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1[NH+]1CCOCC1 ZINC000173960707 258315841 /nfs/dbraw/zinc/31/58/41/258315841.db2.gz ZKVKOXWQBFBKOG-QMTHXVAHSA-N 1 2 352.366 1.109 10 5 FDBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cn1 ZINC000184756977 258383643 /nfs/dbraw/zinc/38/36/43/258383643.db2.gz RTOIQGZASCXCIL-UHFFFAOYSA-N 1 2 373.413 1.865 10 5 FDBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cn1 ZINC000184756977 258383644 /nfs/dbraw/zinc/38/36/44/258383644.db2.gz RTOIQGZASCXCIL-UHFFFAOYSA-N 1 2 373.413 1.865 10 5 FDBELO CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCOC ZINC000117303663 525314614 /nfs/dbraw/zinc/31/46/14/525314614.db2.gz UFUPPHLCXIQJBN-GFCCVEGCSA-N 1 2 361.402 1.654 10 5 FDBELO CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCOC ZINC000117303663 525314622 /nfs/dbraw/zinc/31/46/22/525314622.db2.gz UFUPPHLCXIQJBN-GFCCVEGCSA-N 1 2 361.402 1.654 10 5 FDBELO CCCc1n[nH]c(C(=O)N2CC[N@H+](CCOCC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000117424612 525335833 /nfs/dbraw/zinc/33/58/33/525335833.db2.gz CZMXGOLMDGZKIM-LBPRGKRZSA-N 1 2 353.423 1.453 10 5 FDBELO CCCc1n[nH]c(C(=O)N2CC[N@@H+](CCOCC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000117424612 525335846 /nfs/dbraw/zinc/33/58/46/525335846.db2.gz CZMXGOLMDGZKIM-LBPRGKRZSA-N 1 2 353.423 1.453 10 5 FDBELO CCCc1[nH]nc(C(=O)N2CC[N@H+](CCOCC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000117424612 525335852 /nfs/dbraw/zinc/33/58/52/525335852.db2.gz CZMXGOLMDGZKIM-LBPRGKRZSA-N 1 2 353.423 1.453 10 5 FDBELO CCCc1[nH]nc(C(=O)N2CC[N@@H+](CCOCC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000117424612 525335854 /nfs/dbraw/zinc/33/58/54/525335854.db2.gz CZMXGOLMDGZKIM-LBPRGKRZSA-N 1 2 353.423 1.453 10 5 FDBELO Cc1c(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000109657046 526155302 /nfs/dbraw/zinc/15/53/02/526155302.db2.gz APQNNOOXANTBGB-UHFFFAOYSA-N 1 2 357.414 1.985 10 5 FDBELO Cc1c(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000109657046 526155306 /nfs/dbraw/zinc/15/53/06/526155306.db2.gz APQNNOOXANTBGB-UHFFFAOYSA-N 1 2 357.414 1.985 10 5 FDBELO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1O ZINC000184427566 536150410 /nfs/dbraw/zinc/15/04/10/536150410.db2.gz DUHCHYDDIMMCPB-INIZCTEOSA-N 1 2 371.393 1.449 10 5 FDBELO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1O ZINC000184427566 536150414 /nfs/dbraw/zinc/15/04/14/536150414.db2.gz DUHCHYDDIMMCPB-INIZCTEOSA-N 1 2 371.393 1.449 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000184506050 536158794 /nfs/dbraw/zinc/15/87/94/536158794.db2.gz NGSDBUJDCQYXMS-AWEZNQCLSA-N 1 2 371.459 1.467 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000184506050 536158797 /nfs/dbraw/zinc/15/87/97/536158797.db2.gz NGSDBUJDCQYXMS-AWEZNQCLSA-N 1 2 371.459 1.467 10 5 FDBELO CC(C)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000188999170 536983606 /nfs/dbraw/zinc/98/36/06/536983606.db2.gz AADSFTLSVATIQY-AWEZNQCLSA-N 1 2 351.403 1.141 10 5 FDBELO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000246823457 537034570 /nfs/dbraw/zinc/03/45/70/537034570.db2.gz CJESNVDHKDLLDW-LSDHHAIUSA-N 1 2 362.430 1.637 10 5 FDBELO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c(Br)c1 ZINC000269355249 180282722 /nfs/dbraw/zinc/28/27/22/180282722.db2.gz LBBQZZJIUNPHGL-LLVKDONJSA-N 1 2 360.208 1.462 10 5 FDBELO COC(=O)c1cc(OCCC[NH+]2CCOCC2)c(OC)cc1[N+](=O)[O-] ZINC000034600278 208105528 /nfs/dbraw/zinc/10/55/28/208105528.db2.gz LUWJKZQXEIOILK-UHFFFAOYSA-N 1 2 354.359 1.491 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)nc[nH+]1 ZINC000173413192 258298235 /nfs/dbraw/zinc/29/82/35/258298235.db2.gz LZAJBXWXANWMME-GFCCVEGCSA-N 1 2 371.401 1.408 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[nH+]cn1 ZINC000173413192 258298236 /nfs/dbraw/zinc/29/82/36/258298236.db2.gz LZAJBXWXANWMME-GFCCVEGCSA-N 1 2 371.401 1.408 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000173408252 258298462 /nfs/dbraw/zinc/29/84/62/258298462.db2.gz SHJKIBJVTPUSQV-HNNXBMFYSA-N 1 2 370.413 1.754 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000173408252 258298463 /nfs/dbraw/zinc/29/84/63/258298463.db2.gz SHJKIBJVTPUSQV-HNNXBMFYSA-N 1 2 370.413 1.754 10 5 FDBELO C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+]1CCOCC1 ZINC000132724671 173240740 /nfs/dbraw/zinc/24/07/40/173240740.db2.gz VFLCFJBTNNKMDT-CQSZACIVSA-N 1 2 362.430 1.990 10 5 FDBELO CC(C)c1nc(C2([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCCC2)no1 ZINC000173705486 258308382 /nfs/dbraw/zinc/30/83/82/258308382.db2.gz WYVLMIXQQSSLMF-CYBMUJFWSA-N 1 2 364.406 1.718 10 5 FDBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173971995 258315847 /nfs/dbraw/zinc/31/58/47/258315847.db2.gz IVPXUYQXNLEKGC-NHYWBVRUSA-N 1 2 364.358 1.296 10 5 FDBELO O=c1ccnc2sc(N3CC[NH+](Cc4cccc([N+](=O)[O-])c4)CC3)nn21 ZINC000301119280 259021425 /nfs/dbraw/zinc/02/14/25/259021425.db2.gz VPGOVHREQLUAPW-UHFFFAOYSA-N 1 2 372.410 1.381 10 5 FDBELO C[C@@H](CO)[NH+]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000301228312 259023679 /nfs/dbraw/zinc/02/36/79/259023679.db2.gz HWGOEQVXTCELNP-ZDUSSCGKSA-N 1 2 373.413 1.062 10 5 FDBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173730160 524447358 /nfs/dbraw/zinc/44/73/58/524447358.db2.gz CCGJVFHTLNUMKN-ZDUSSCGKSA-N 1 2 350.400 1.953 10 5 FDBELO COCC[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000162999780 525348445 /nfs/dbraw/zinc/34/84/45/525348445.db2.gz IHRTTZGWQOGGPF-AWEZNQCLSA-N 1 2 371.459 1.120 10 5 FDBELO COCC[N@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000162999780 525348449 /nfs/dbraw/zinc/34/84/49/525348449.db2.gz IHRTTZGWQOGGPF-AWEZNQCLSA-N 1 2 371.459 1.120 10 5 FDBELO Nc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000109644106 526146149 /nfs/dbraw/zinc/14/61/49/526146149.db2.gz MIUGOIBCCVHGDM-GOSISDBHSA-N 1 2 370.409 1.668 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1CC ZINC000185807644 536217991 /nfs/dbraw/zinc/21/79/91/536217991.db2.gz ABOGCQHWTOBPCS-CQSZACIVSA-N 1 2 371.459 1.716 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1CC ZINC000185807644 536217992 /nfs/dbraw/zinc/21/79/92/536217992.db2.gz ABOGCQHWTOBPCS-CQSZACIVSA-N 1 2 371.459 1.716 10 5 FDBELO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@@H+]1C[C@@H](C)O ZINC000276211962 537335169 /nfs/dbraw/zinc/33/51/69/537335169.db2.gz KDBCWHDDPPCDTC-CHWSQXEVSA-N 1 2 371.459 1.280 10 5 FDBELO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@H+]1C[C@@H](C)O ZINC000276211962 537335178 /nfs/dbraw/zinc/33/51/78/537335178.db2.gz KDBCWHDDPPCDTC-CHWSQXEVSA-N 1 2 371.459 1.280 10 5 FDBELO Cc1noc([C@H](C)N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000137044970 173367469 /nfs/dbraw/zinc/36/74/69/173367469.db2.gz ASVFSRKYGQVVRR-LRDDRELGSA-N 1 2 361.402 1.698 10 5 FDBELO CC[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc([N+](=O)[O-])c1 ZINC000181554561 174232015 /nfs/dbraw/zinc/23/20/15/174232015.db2.gz FWFNXRLKUNVYRN-LBPRGKRZSA-N 1 2 372.385 1.109 10 5 FDBELO Cc1nnc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)[nH]1 ZINC000173656166 258306536 /nfs/dbraw/zinc/30/65/36/258306536.db2.gz VFKNVEJRKAMPSZ-CQSZACIVSA-N 1 2 360.374 1.423 10 5 FDBELO Cc1nnc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)[nH]1 ZINC000173656166 258306537 /nfs/dbraw/zinc/30/65/37/258306537.db2.gz VFKNVEJRKAMPSZ-CQSZACIVSA-N 1 2 360.374 1.423 10 5 FDBELO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]([NH+]4CCOCC4)C3)n2)cc1 ZINC000173994551 258316710 /nfs/dbraw/zinc/31/67/10/258316710.db2.gz JYZMZHOJKJPPPE-HNNXBMFYSA-N 1 2 359.386 1.551 10 5 FDBELO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117425216 525337504 /nfs/dbraw/zinc/33/75/04/525337504.db2.gz KMRQHMMAXJNCQD-LLVKDONJSA-N 1 2 366.374 1.604 10 5 FDBELO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117425216 525337515 /nfs/dbraw/zinc/33/75/15/525337515.db2.gz KMRQHMMAXJNCQD-LLVKDONJSA-N 1 2 366.374 1.604 10 5 FDBELO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000154511898 525557637 /nfs/dbraw/zinc/55/76/37/525557637.db2.gz RTZDJLJWGUUKPD-ZDUSSCGKSA-N 1 2 356.382 1.690 10 5 FDBELO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000171094898 525837479 /nfs/dbraw/zinc/83/74/79/525837479.db2.gz ZNGQADOLOLSMKF-SNVBAGLBSA-N 1 2 363.823 1.166 10 5 FDBELO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000171094898 525837491 /nfs/dbraw/zinc/83/74/91/525837491.db2.gz ZNGQADOLOLSMKF-SNVBAGLBSA-N 1 2 363.823 1.166 10 5 FDBELO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000108945507 526047280 /nfs/dbraw/zinc/04/72/80/526047280.db2.gz FRKGGAADIVPQFL-CYBMUJFWSA-N 1 2 359.386 1.302 10 5 FDBELO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000108945507 526047284 /nfs/dbraw/zinc/04/72/84/526047284.db2.gz FRKGGAADIVPQFL-CYBMUJFWSA-N 1 2 359.386 1.302 10 5 FDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000109657615 526157213 /nfs/dbraw/zinc/15/72/13/526157213.db2.gz YOAVTILORMXONC-UHFFFAOYSA-N 1 2 358.402 1.380 10 5 FDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000109657615 526157217 /nfs/dbraw/zinc/15/72/17/526157217.db2.gz YOAVTILORMXONC-UHFFFAOYSA-N 1 2 358.402 1.380 10 5 FDBELO COCC[N@@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000183667428 536025700 /nfs/dbraw/zinc/02/57/00/536025700.db2.gz REXADWFXTVYJPN-CQSZACIVSA-N 1 2 371.459 1.120 10 5 FDBELO COCC[N@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000183667428 536025707 /nfs/dbraw/zinc/02/57/07/536025707.db2.gz REXADWFXTVYJPN-CQSZACIVSA-N 1 2 371.459 1.120 10 5 FDBELO Cc1cc(F)cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000151011489 671859091 /nfs/dbraw/zinc/85/90/91/671859091.db2.gz QKVKRELNEKUTHP-IUODEOHRSA-N 1 2 351.378 1.835 10 5 FDBELO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000191991669 178080285 /nfs/dbraw/zinc/08/02/85/178080285.db2.gz YARVHNUQVZEYJL-ZIAGYGMSSA-N 1 2 371.459 1.287 10 5 FDBELO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000191991669 178080287 /nfs/dbraw/zinc/08/02/87/178080287.db2.gz YARVHNUQVZEYJL-ZIAGYGMSSA-N 1 2 371.459 1.287 10 5 FDBELO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000173365519 258297244 /nfs/dbraw/zinc/29/72/44/258297244.db2.gz IOMZJJZJEKIHEM-STQMWFEESA-N 1 2 350.379 1.496 10 5 FDBELO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000173365519 258297245 /nfs/dbraw/zinc/29/72/45/258297245.db2.gz IOMZJJZJEKIHEM-STQMWFEESA-N 1 2 350.379 1.496 10 5 FDBELO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000137048713 173367376 /nfs/dbraw/zinc/36/73/76/173367376.db2.gz MZTOCFVYODLZNW-ROUUACIJSA-N 1 2 360.414 1.843 10 5 FDBELO Cc1cc(C)n(C[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000137048713 173367377 /nfs/dbraw/zinc/36/73/77/173367377.db2.gz MZTOCFVYODLZNW-ROUUACIJSA-N 1 2 360.414 1.843 10 5 FDBELO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000175771450 174026770 /nfs/dbraw/zinc/02/67/70/174026770.db2.gz KCKUMWWIASLACW-KBPBESRZSA-N 1 2 350.419 1.984 10 5 FDBELO Cc1nnc([C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)[nH]1 ZINC000173672324 258306929 /nfs/dbraw/zinc/30/69/29/258306929.db2.gz VSLGNVZKXAGQNY-CQSZACIVSA-N 1 2 360.374 1.423 10 5 FDBELO Cc1nnc([C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)[nH]1 ZINC000173672324 258306930 /nfs/dbraw/zinc/30/69/30/258306930.db2.gz VSLGNVZKXAGQNY-CQSZACIVSA-N 1 2 360.374 1.423 10 5 FDBELO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000171528040 526025760 /nfs/dbraw/zinc/02/57/60/526025760.db2.gz DOTHEMMYMDEIBD-OAHLLOKOSA-N 1 2 356.386 1.413 10 5 FDBELO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000171528040 526025767 /nfs/dbraw/zinc/02/57/67/526025767.db2.gz DOTHEMMYMDEIBD-OAHLLOKOSA-N 1 2 356.386 1.413 10 5 FDBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1[NH+]1CCOCC1 ZINC000156419500 526131480 /nfs/dbraw/zinc/13/14/80/526131480.db2.gz UYZRYSMMUCMJRQ-CXAGYDPISA-N 1 2 370.409 1.936 10 5 FDBELO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)n1 ZINC000191829785 537213151 /nfs/dbraw/zinc/21/31/51/537213151.db2.gz UWSMJIMAPZPLHE-LLVKDONJSA-N 1 2 374.405 1.042 10 5 FDBELO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)n1 ZINC000191829785 537213152 /nfs/dbraw/zinc/21/31/52/537213152.db2.gz UWSMJIMAPZPLHE-LLVKDONJSA-N 1 2 374.405 1.042 10 5 FDBELO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172746749 258283794 /nfs/dbraw/zinc/28/37/94/258283794.db2.gz VOULTXVMPOAINL-GFCCVEGCSA-N 1 2 364.358 1.358 10 5 FDBELO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172765800 258284861 /nfs/dbraw/zinc/28/48/61/258284861.db2.gz COUSJYQVBFMDLY-OAHLLOKOSA-N 1 2 360.414 1.716 10 5 FDBELO Cc1cc(N2CCCN(C(N)=O)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301240869 259024376 /nfs/dbraw/zinc/02/43/76/259024376.db2.gz OHHONDJCFUTFCM-UHFFFAOYSA-N 1 2 356.386 1.951 10 5 FDBELO Cn1cc([C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301890076 259035113 /nfs/dbraw/zinc/03/51/13/259035113.db2.gz NSMJEKDECRLBFV-CYBMUJFWSA-N 1 2 367.431 1.447 10 5 FDBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106071158 525562567 /nfs/dbraw/zinc/56/25/67/525562567.db2.gz FNVTYJGIHPJNLE-AWEZNQCLSA-N 1 2 370.413 1.924 10 5 FDBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106071158 525562573 /nfs/dbraw/zinc/56/25/73/525562573.db2.gz FNVTYJGIHPJNLE-AWEZNQCLSA-N 1 2 370.413 1.924 10 5 FDBELO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000106170133 525647943 /nfs/dbraw/zinc/64/79/43/525647943.db2.gz GSANMYRHRXBICG-UHFFFAOYSA-N 1 2 373.442 1.964 10 5 FDBELO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000181992898 526010613 /nfs/dbraw/zinc/01/06/13/526010613.db2.gz ZILSMILVOLHLHZ-NSHDSACASA-N 1 2 373.356 1.989 10 5 FDBELO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000181992898 526010623 /nfs/dbraw/zinc/01/06/23/526010623.db2.gz ZILSMILVOLHLHZ-NSHDSACASA-N 1 2 373.356 1.989 10 5 FDBELO CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000248047353 537164700 /nfs/dbraw/zinc/16/47/00/537164700.db2.gz WTUYEOKUWHYBEU-CQSZACIVSA-N 1 2 357.370 1.473 10 5 FDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171705679 258269067 /nfs/dbraw/zinc/26/90/67/258269067.db2.gz LCUAHTNDAVCYJE-ZDUSSCGKSA-N 1 2 360.374 1.471 10 5 FDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171705679 258269068 /nfs/dbraw/zinc/26/90/68/258269068.db2.gz LCUAHTNDAVCYJE-ZDUSSCGKSA-N 1 2 360.374 1.471 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000173407781 258298276 /nfs/dbraw/zinc/29/82/76/258298276.db2.gz PFNGGOAFIBGBSE-AWEZNQCLSA-N 1 2 356.386 1.825 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000173407781 258298277 /nfs/dbraw/zinc/29/82/77/258298277.db2.gz PFNGGOAFIBGBSE-AWEZNQCLSA-N 1 2 356.386 1.825 10 5 FDBELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000134342064 173324127 /nfs/dbraw/zinc/32/41/27/173324127.db2.gz SIZMVUUZMROYLG-UHFFFAOYSA-N 1 2 361.377 1.816 10 5 FDBELO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000134342064 173324129 /nfs/dbraw/zinc/32/41/29/173324129.db2.gz SIZMVUUZMROYLG-UHFFFAOYSA-N 1 2 361.377 1.816 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc([N+](=O)[O-])c2N)nc[nH+]1 ZINC000176953640 174096563 /nfs/dbraw/zinc/09/65/63/174096563.db2.gz YMGSCKBMRZEPCN-LLVKDONJSA-N 1 2 371.401 1.408 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc([N+](=O)[O-])c2N)[nH+]cn1 ZINC000176953640 174096566 /nfs/dbraw/zinc/09/65/66/174096566.db2.gz YMGSCKBMRZEPCN-LLVKDONJSA-N 1 2 371.401 1.408 10 5 FDBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000173972017 258316261 /nfs/dbraw/zinc/31/62/61/258316261.db2.gz IVPXUYQXNLEKGC-XHDPSFHLSA-N 1 2 364.358 1.296 10 5 FDBELO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2C[NH+]3CCN2CC3)cc1Cl ZINC000301774009 259032862 /nfs/dbraw/zinc/03/28/62/259032862.db2.gz KIRLOIVPNWAYSI-JTQLQIEISA-N 1 2 354.794 1.447 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2F)nc[nH+]1 ZINC000173436448 524388762 /nfs/dbraw/zinc/38/87/62/524388762.db2.gz QDRFTFIGJMTLNA-LBPRGKRZSA-N 1 2 374.376 1.964 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2F)[nH+]cn1 ZINC000173436448 524388764 /nfs/dbraw/zinc/38/87/64/524388764.db2.gz QDRFTFIGJMTLNA-LBPRGKRZSA-N 1 2 374.376 1.964 10 5 FDBELO CC(C)(C)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000129006358 525602605 /nfs/dbraw/zinc/60/26/05/525602605.db2.gz OCNNRWPIDQYFEQ-AWEZNQCLSA-N 1 2 365.430 1.315 10 5 FDBELO Cn1cc(CN2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cn1 ZINC000106155809 525639088 /nfs/dbraw/zinc/63/90/88/525639088.db2.gz JLHBFILSWQFQDB-UHFFFAOYSA-N 1 2 372.429 1.135 10 5 FDBELO Cn1cc(CN2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cn1 ZINC000106155809 525639099 /nfs/dbraw/zinc/63/90/99/525639099.db2.gz JLHBFILSWQFQDB-UHFFFAOYSA-N 1 2 372.429 1.135 10 5 FDBELO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000109659157 526159678 /nfs/dbraw/zinc/15/96/78/526159678.db2.gz DOCVKAYJHLNVLX-UHFFFAOYSA-N 1 2 357.414 1.985 10 5 FDBELO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000109659157 526159687 /nfs/dbraw/zinc/15/96/87/526159687.db2.gz DOCVKAYJHLNVLX-UHFFFAOYSA-N 1 2 357.414 1.985 10 5 FDBELO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173728931 672084102 /nfs/dbraw/zinc/08/41/02/672084102.db2.gz AMCMQGMFNOCSTB-NSHDSACASA-N 1 2 354.363 1.784 10 5 FDBELO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172742685 258283478 /nfs/dbraw/zinc/28/34/78/258283478.db2.gz AKAWWRHLEFXNLZ-AWEZNQCLSA-N 1 2 353.806 1.724 10 5 FDBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177274814 174118893 /nfs/dbraw/zinc/11/88/93/174118893.db2.gz ZKFWEXBVAKVTOH-RHSMWYFYSA-N 1 2 362.430 1.494 10 5 FDBELO CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173829308 258312621 /nfs/dbraw/zinc/31/26/21/258312621.db2.gz ZEYSZAJXTXETHN-CZUORRHYSA-N 1 2 363.414 1.786 10 5 FDBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000173958704 258315381 /nfs/dbraw/zinc/31/53/81/258315381.db2.gz NCWCUCYUPOXJJU-CXAGYDPISA-N 1 2 362.430 1.454 10 5 FDBELO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)n2)c1 ZINC000173954124 258315446 /nfs/dbraw/zinc/31/54/46/258315446.db2.gz IWEPUPMUUUQPBE-OAHLLOKOSA-N 1 2 359.386 1.551 10 5 FDBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](N4CCOCC4)C3)n2)c1 ZINC000173954124 258315447 /nfs/dbraw/zinc/31/54/47/258315447.db2.gz IWEPUPMUUUQPBE-OAHLLOKOSA-N 1 2 359.386 1.551 10 5 FDBELO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]([NH+]4CCOCC4)C3)n2)c1 ZINC000173954124 258315448 /nfs/dbraw/zinc/31/54/48/258315448.db2.gz IWEPUPMUUUQPBE-OAHLLOKOSA-N 1 2 359.386 1.551 10 5 FDBELO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302021170 259037896 /nfs/dbraw/zinc/03/78/96/259037896.db2.gz FIRAGYYPHYICCE-AWEZNQCLSA-N 1 2 362.430 1.220 10 5 FDBELO CCc1n[nH]c(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)c1[N+](=O)[O-] ZINC000174745547 524719588 /nfs/dbraw/zinc/71/95/88/524719588.db2.gz LMQHBADUARVXRD-JTQLQIEISA-N 1 2 374.405 1.111 10 5 FDBELO CCc1n[nH]c(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)c1[N+](=O)[O-] ZINC000174745547 524719597 /nfs/dbraw/zinc/71/95/97/524719597.db2.gz LMQHBADUARVXRD-JTQLQIEISA-N 1 2 374.405 1.111 10 5 FDBELO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116311151 525130899 /nfs/dbraw/zinc/13/08/99/525130899.db2.gz PQYFXWHSJMGERF-LBPRGKRZSA-N 1 2 359.386 1.765 10 5 FDBELO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116311151 525130905 /nfs/dbraw/zinc/13/09/05/525130905.db2.gz PQYFXWHSJMGERF-LBPRGKRZSA-N 1 2 359.386 1.765 10 5 FDBELO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000246364935 536936249 /nfs/dbraw/zinc/93/62/49/536936249.db2.gz HASUBCPHTWICLY-RHSMWYFYSA-N 1 2 362.430 1.210 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246698844 537006783 /nfs/dbraw/zinc/00/67/83/537006783.db2.gz MUCULIIEKVFXGN-CQSZACIVSA-N 1 2 371.459 1.467 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246698844 537006785 /nfs/dbraw/zinc/00/67/85/537006785.db2.gz MUCULIIEKVFXGN-CQSZACIVSA-N 1 2 371.459 1.467 10 5 FDBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249744030 537242073 /nfs/dbraw/zinc/24/20/73/537242073.db2.gz AVCGAEBYHJYCBU-ZDUSSCGKSA-N 1 2 355.416 1.462 10 5 FDBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249744030 537242075 /nfs/dbraw/zinc/24/20/75/537242075.db2.gz AVCGAEBYHJYCBU-ZDUSSCGKSA-N 1 2 355.416 1.462 10 5 FDBELO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172745859 258283798 /nfs/dbraw/zinc/28/37/98/258283798.db2.gz WIGSUFRVDABUNU-MRXNPFEDSA-N 1 2 374.441 1.742 10 5 FDBELO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1[NH+]1CCOCC1 ZINC000177281308 174119441 /nfs/dbraw/zinc/11/94/41/174119441.db2.gz AKWXOAKGAOLPPC-DYVFJYSZSA-N 1 2 363.414 1.614 10 5 FDBELO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+]1CCOCC1 ZINC000173969893 258316028 /nfs/dbraw/zinc/31/60/28/258316028.db2.gz LCBVDEQTZPJPJF-XHDPSFHLSA-N 1 2 359.386 1.264 10 5 FDBELO COC(=O)c1cc(N2CCN(Cc3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000301192506 259022559 /nfs/dbraw/zinc/02/25/59/259022559.db2.gz IKYGMUWOBWIAFA-UHFFFAOYSA-N 1 2 359.386 1.437 10 5 FDBELO COCC[NH+]1[C@H](C)CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000301899946 259035865 /nfs/dbraw/zinc/03/58/65/259035865.db2.gz UGSVXSJEGRYBCN-CHWSQXEVSA-N 1 2 371.459 1.544 10 5 FDBELO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1C ZINC000124720631 525060172 /nfs/dbraw/zinc/06/01/72/525060172.db2.gz FHZNFZVWVYTSFR-LBPRGKRZSA-N 1 2 357.432 1.155 10 5 FDBELO COCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1C ZINC000124720631 525060183 /nfs/dbraw/zinc/06/01/83/525060183.db2.gz FHZNFZVWVYTSFR-LBPRGKRZSA-N 1 2 357.432 1.155 10 5 FDBELO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000106091963 525572247 /nfs/dbraw/zinc/57/22/47/525572247.db2.gz SATCZHZUWRPDIZ-UHFFFAOYSA-N 1 2 369.385 1.234 10 5 FDBELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120219342 526000380 /nfs/dbraw/zinc/00/03/80/526000380.db2.gz LTSXZWVCZJCNOB-SNVBAGLBSA-N 1 2 358.192 1.418 10 5 FDBELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120219342 526000386 /nfs/dbraw/zinc/00/03/86/526000386.db2.gz LTSXZWVCZJCNOB-SNVBAGLBSA-N 1 2 358.192 1.418 10 5 FDBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000182239783 526109107 /nfs/dbraw/zinc/10/91/07/526109107.db2.gz STAFMIOHBYWMMY-CQSZACIVSA-N 1 2 365.415 1.297 10 5 FDBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000182239783 526109114 /nfs/dbraw/zinc/10/91/14/526109114.db2.gz STAFMIOHBYWMMY-CQSZACIVSA-N 1 2 365.415 1.297 10 5 FDBELO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000182532609 526200230 /nfs/dbraw/zinc/20/02/30/526200230.db2.gz UMXQQUZQXSRFPM-SNVBAGLBSA-N 1 2 363.823 1.166 10 5 FDBELO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000182532609 526200236 /nfs/dbraw/zinc/20/02/36/526200236.db2.gz UMXQQUZQXSRFPM-SNVBAGLBSA-N 1 2 363.823 1.166 10 5 FDBELO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000185759666 536216853 /nfs/dbraw/zinc/21/68/53/536216853.db2.gz USSBHSXHAXMJSZ-UHFFFAOYSA-N 1 2 373.413 1.734 10 5 FDBELO O=C(NC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1)C1CCC1 ZINC000188516899 536295383 /nfs/dbraw/zinc/29/53/83/536295383.db2.gz MLGDOLWMCUHRLA-UHFFFAOYSA-N 1 2 369.381 1.521 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(F)cc2[N+](=O)[O-])nc[nH+]1 ZINC000136007703 173355508 /nfs/dbraw/zinc/35/55/08/173355508.db2.gz TZQFVAMJNBBQTI-GFCCVEGCSA-N 1 2 374.376 1.964 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[nH+]cn1 ZINC000136007703 173355509 /nfs/dbraw/zinc/35/55/09/173355509.db2.gz TZQFVAMJNBBQTI-GFCCVEGCSA-N 1 2 374.376 1.964 10 5 FDBELO COC(=O)c1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000177798657 258326566 /nfs/dbraw/zinc/32/65/66/258326566.db2.gz RBDDMPHWGIPLBK-CQSZACIVSA-N 1 2 358.354 1.883 10 5 FDBELO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCOCC2)nc1-c1ccccc1 ZINC000090067882 524577896 /nfs/dbraw/zinc/57/78/96/524577896.db2.gz QCLLGLZGIJGYDG-HNNXBMFYSA-N 1 2 358.398 1.762 10 5 FDBELO C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000246488847 536964234 /nfs/dbraw/zinc/96/42/34/536964234.db2.gz LYSWEMBMQPYRPQ-XJKSGUPXSA-N 1 2 369.443 1.077 10 5 FDBELO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+]1CCOCC1 ZINC000246599740 536989287 /nfs/dbraw/zinc/98/92/87/536989287.db2.gz XJBWFUDPFCWVMB-KBXCAEBGSA-N 1 2 374.441 1.136 10 5 FDBELO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172766893 258284915 /nfs/dbraw/zinc/28/49/15/258284915.db2.gz CIGDHCOMIIYRKG-GFCCVEGCSA-N 1 2 350.331 1.050 10 5 FDBELO Cc1cc(NC[C@H]2CC[C@H](C(N)=O)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301631173 259030970 /nfs/dbraw/zinc/03/09/70/259030970.db2.gz JDQGWTKENJTNKT-ZIAGYGMSSA-N 1 2 357.370 1.805 10 5 FDBELO Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301793418 259033634 /nfs/dbraw/zinc/03/36/34/259033634.db2.gz SDFCIFOCHZBMBQ-MRXNPFEDSA-N 1 2 354.414 1.772 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000173442455 524393378 /nfs/dbraw/zinc/39/33/78/524393378.db2.gz XJDLWTLNVWWCDY-OAHLLOKOSA-N 1 2 370.413 1.754 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cccc([N+](=O)[O-])c2)[nH+]cn1 ZINC000173442455 524393387 /nfs/dbraw/zinc/39/33/87/524393387.db2.gz XJDLWTLNVWWCDY-OAHLLOKOSA-N 1 2 370.413 1.754 10 5 FDBELO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000176975194 525211035 /nfs/dbraw/zinc/21/10/35/525211035.db2.gz LBRBJHOEYNMUNB-JTQLQIEISA-N 1 2 372.219 1.808 10 5 FDBELO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000171094902 525838105 /nfs/dbraw/zinc/83/81/05/525838105.db2.gz ZNGQADOLOLSMKF-JTQLQIEISA-N 1 2 363.823 1.166 10 5 FDBELO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000171094902 525838114 /nfs/dbraw/zinc/83/81/14/525838114.db2.gz ZNGQADOLOLSMKF-JTQLQIEISA-N 1 2 363.823 1.166 10 5 FDBELO Cc1cc(F)cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000151011568 671859256 /nfs/dbraw/zinc/85/92/56/671859256.db2.gz QKVKRELNEKUTHP-DOMZBBRYSA-N 1 2 351.378 1.835 10 5 FDBELO COc1cc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000150822242 173382858 /nfs/dbraw/zinc/38/28/58/173382858.db2.gz RXJGKZZHBOQACC-LBPRGKRZSA-N 1 2 366.399 1.653 10 5 FDBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)cn1 ZINC000176516939 174074426 /nfs/dbraw/zinc/07/44/26/174074426.db2.gz MJDWURAJZQMVJX-UHFFFAOYSA-N 1 2 372.429 1.742 10 5 FDBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)cn1 ZINC000176516939 174074428 /nfs/dbraw/zinc/07/44/28/174074428.db2.gz MJDWURAJZQMVJX-UHFFFAOYSA-N 1 2 372.429 1.742 10 5 FDBELO Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301750667 259032767 /nfs/dbraw/zinc/03/27/67/259032767.db2.gz APVHXIBCHRTYMJ-INIZCTEOSA-N 1 2 354.414 1.772 10 5 FDBELO COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000042647071 519700686 /nfs/dbraw/zinc/70/06/86/519700686.db2.gz LHHJYLKRBVNXOU-AWEZNQCLSA-N 1 2 358.354 1.948 10 5 FDBELO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C[C@@H](C)O ZINC000122749300 524610103 /nfs/dbraw/zinc/61/01/03/524610103.db2.gz FKLXLBXABIOOEU-MNOVXSKESA-N 1 2 363.461 1.122 10 5 FDBELO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1C[C@@H](C)O ZINC000122749300 524610110 /nfs/dbraw/zinc/61/01/10/524610110.db2.gz 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ZINC000109657339 526155443 /nfs/dbraw/zinc/15/54/43/526155443.db2.gz OLKWZRIQBLJPJV-UHFFFAOYSA-N 1 2 357.414 1.985 10 5 FDBELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183606278 536014011 /nfs/dbraw/zinc/01/40/11/536014011.db2.gz ONERGBNITMWUEB-UHFFFAOYSA-N 1 2 373.417 1.690 10 5 FDBELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000192115805 178094000 /nfs/dbraw/zinc/09/40/00/178094000.db2.gz IWOCDTGCVXLHOP-CQSZACIVSA-N 1 2 371.459 1.289 10 5 FDBELO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172742690 258283270 /nfs/dbraw/zinc/28/32/70/258283270.db2.gz AKAWWRHLEFXNLZ-CQSZACIVSA-N 1 2 353.806 1.724 10 5 FDBELO CS(=O)(=O)c1cc(N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000125764864 173017210 /nfs/dbraw/zinc/01/72/10/173017210.db2.gz JVGNYWXKQMGHOM-UHFFFAOYSA-N 1 2 369.443 1.299 10 5 FDBELO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000173959928 258315858 /nfs/dbraw/zinc/31/58/58/258315858.db2.gz 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ZINC000163907305 525460147 /nfs/dbraw/zinc/46/01/47/525460147.db2.gz QGRIVDZNWPRAAB-HNNXBMFYSA-N 1 2 364.427 1.828 10 5 FDBELO C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCOCC1 ZINC000120551551 526105444 /nfs/dbraw/zinc/10/54/44/526105444.db2.gz CDHKQCOYWOTQEA-AWEZNQCLSA-N 1 2 362.430 1.990 10 5 FDBELO CCc1n[nH]c(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171813551 526132859 /nfs/dbraw/zinc/13/28/59/526132859.db2.gz DQZDGFMHKVLMQR-HNNXBMFYSA-N 1 2 373.413 1.372 10 5 FDBELO CCc1[nH]nc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171813551 526132863 /nfs/dbraw/zinc/13/28/63/526132863.db2.gz DQZDGFMHKVLMQR-HNNXBMFYSA-N 1 2 373.413 1.372 10 5 FDBELO CC[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000184506866 536158832 /nfs/dbraw/zinc/15/88/32/536158832.db2.gz FTVKABGBHFMZEM-HNNXBMFYSA-N 1 2 371.459 1.467 10 5 FDBELO CC[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000184506866 536158836 /nfs/dbraw/zinc/15/88/36/536158836.db2.gz FTVKABGBHFMZEM-HNNXBMFYSA-N 1 2 371.459 1.467 10 5 FDBELO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1CC ZINC000186577516 536237668 /nfs/dbraw/zinc/23/76/68/536237668.db2.gz CUPAUBYFGRYHAJ-ZDUSSCGKSA-N 1 2 351.403 1.873 10 5 FDBELO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1CC ZINC000186577516 536237669 /nfs/dbraw/zinc/23/76/69/536237669.db2.gz CUPAUBYFGRYHAJ-ZDUSSCGKSA-N 1 2 351.403 1.873 10 5 FDBELO COc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000247632511 537141295 /nfs/dbraw/zinc/14/12/95/537141295.db2.gz NWZBTGBRJNZPEJ-LBPRGKRZSA-N 1 2 355.416 1.462 10 5 FDBELO COc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000247632511 537141298 /nfs/dbraw/zinc/14/12/98/537141298.db2.gz NWZBTGBRJNZPEJ-LBPRGKRZSA-N 1 2 355.416 1.462 10 5 FDBELO COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262492075 672798426 /nfs/dbraw/zinc/79/84/26/672798426.db2.gz GKTXEEMLTGBSTF-CQSZACIVSA-N 1 2 351.403 1.974 10 5 FDBELO COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262492075 672798428 /nfs/dbraw/zinc/79/84/28/672798428.db2.gz GKTXEEMLTGBSTF-CQSZACIVSA-N 1 2 351.403 1.974 10 5 FDBELO COc1ccc(C[NH+]2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262492075 672798429 /nfs/dbraw/zinc/79/84/29/672798429.db2.gz GKTXEEMLTGBSTF-CQSZACIVSA-N 1 2 351.403 1.974 10 5 FDBELO COc1ccc(C[NH+]2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262492075 672798431 /nfs/dbraw/zinc/79/84/31/672798431.db2.gz GKTXEEMLTGBSTF-CQSZACIVSA-N 1 2 351.403 1.974 10 5 FDBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245941757 178391388 /nfs/dbraw/zinc/39/13/88/178391388.db2.gz RBERGGLUBCLLLH-HNNXBMFYSA-N 1 2 353.444 1.637 10 5 FDBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245941757 178391390 /nfs/dbraw/zinc/39/13/90/178391390.db2.gz RBERGGLUBCLLLH-HNNXBMFYSA-N 1 2 353.444 1.637 10 5 FDBELO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743562 258283857 /nfs/dbraw/zinc/28/38/57/258283857.db2.gz PNIJNSCBPZIOJM-INIZCTEOSA-N 1 2 371.397 1.327 10 5 FDBELO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761446 258284512 /nfs/dbraw/zinc/28/45/12/258284512.db2.gz BCUCQKSSVUDMKR-QGZVFWFLSA-N 1 2 362.430 1.720 10 5 FDBELO Cc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000092044786 172293134 /nfs/dbraw/zinc/29/31/34/172293134.db2.gz JBJPIEGORDOONJ-HNNXBMFYSA-N 1 2 353.444 1.903 10 5 FDBELO Cc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000092044786 172293136 /nfs/dbraw/zinc/29/31/36/172293136.db2.gz JBJPIEGORDOONJ-HNNXBMFYSA-N 1 2 353.444 1.903 10 5 FDBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173733094 258308999 /nfs/dbraw/zinc/30/89/99/258308999.db2.gz RNGVMTOOZKAFBC-CYBMUJFWSA-N 1 2 350.400 1.953 10 5 FDBELO Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000173729402 524446892 /nfs/dbraw/zinc/44/68/92/524446892.db2.gz ZXRIDANJRALWKE-ZDUSSCGKSA-N 1 2 350.400 1.953 10 5 FDBELO Cc1c(NC(=O)[C@H](C)N2CC[C@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000173988788 524498893 /nfs/dbraw/zinc/49/88/93/524498893.db2.gz CJESNVDHKDLLDW-GJZGRUSLSA-N 1 2 362.430 1.637 10 5 FDBELO Cc1ccnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000115517869 525011318 /nfs/dbraw/zinc/01/13/18/525011318.db2.gz YJIQGAUITFNQGQ-INIZCTEOSA-N 1 2 372.425 1.860 10 5 FDBELO CCCc1n[nH]c(C(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000117426008 525337051 /nfs/dbraw/zinc/33/70/51/525337051.db2.gz VIXUXZZCSFEADG-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO CCCc1n[nH]c(C(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000117426008 525337054 /nfs/dbraw/zinc/33/70/54/525337054.db2.gz VIXUXZZCSFEADG-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO CCCc1[nH]nc(C(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000117426008 525337057 /nfs/dbraw/zinc/33/70/57/525337057.db2.gz VIXUXZZCSFEADG-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO CCCc1[nH]nc(C(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000117426008 525337064 /nfs/dbraw/zinc/33/70/64/525337064.db2.gz VIXUXZZCSFEADG-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120193993 525991467 /nfs/dbraw/zinc/99/14/67/525991467.db2.gz XWDIWRCRYCXIIG-INIZCTEOSA-N 1 2 350.419 1.547 10 5 FDBELO C[N@H+]1CCO[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120193993 525991474 /nfs/dbraw/zinc/99/14/74/525991474.db2.gz XWDIWRCRYCXIIG-INIZCTEOSA-N 1 2 350.419 1.547 10 5 FDBELO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000171703759 526082900 /nfs/dbraw/zinc/08/29/00/526082900.db2.gz DBQXVQPZWZSAAL-LBPRGKRZSA-N 1 2 360.374 1.471 10 5 FDBELO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000171703759 526082912 /nfs/dbraw/zinc/08/29/12/526082912.db2.gz DBQXVQPZWZSAAL-LBPRGKRZSA-N 1 2 360.374 1.471 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000247155189 537088521 /nfs/dbraw/zinc/08/85/21/537088521.db2.gz QDUVVFSZAQHBIW-CYBMUJFWSA-N 1 2 357.432 1.326 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000247155189 537088523 /nfs/dbraw/zinc/08/85/23/537088523.db2.gz QDUVVFSZAQHBIW-CYBMUJFWSA-N 1 2 357.432 1.326 10 5 FDBELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000192115799 178094210 /nfs/dbraw/zinc/09/42/10/178094210.db2.gz IWOCDTGCVXLHOP-AWEZNQCLSA-N 1 2 371.459 1.289 10 5 FDBELO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000135663537 173350864 /nfs/dbraw/zinc/35/08/64/173350864.db2.gz SPJYASKKZYHDGI-ZDUSSCGKSA-N 1 2 359.386 1.231 10 5 FDBELO C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1[NH+]1CCOCC1 ZINC000176705237 174084212 /nfs/dbraw/zinc/08/42/12/174084212.db2.gz VNKWDXUHAYUXKD-SJCJKPOMSA-N 1 2 360.414 1.636 10 5 FDBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177274797 174118556 /nfs/dbraw/zinc/11/85/56/174118556.db2.gz ZKFWEXBVAKVTOH-WMLDXEAASA-N 1 2 362.430 1.494 10 5 FDBELO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177806227 174158600 /nfs/dbraw/zinc/15/86/00/174158600.db2.gz UHTMNNCJFOUIOS-OAHLLOKOSA-N 1 2 367.369 1.677 10 5 FDBELO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nnc2n1CCCC2 ZINC000173632345 258305935 /nfs/dbraw/zinc/30/59/35/258305935.db2.gz OEKYCIIBNKYELB-WFASDCNBSA-N 1 2 370.413 1.979 10 5 FDBELO CCCc1n[nH]c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000173969225 258315976 /nfs/dbraw/zinc/31/59/76/258315976.db2.gz QUFALDILFVEDIR-AAEUAGOBSA-N 1 2 351.407 1.063 10 5 FDBELO CCCc1[nH]nc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000173969225 258315977 /nfs/dbraw/zinc/31/59/77/258315977.db2.gz QUFALDILFVEDIR-AAEUAGOBSA-N 1 2 351.407 1.063 10 5 FDBELO Cc1cc(NC[C@H]2CC[C@@H](C(N)=O)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301631171 259030863 /nfs/dbraw/zinc/03/08/63/259030863.db2.gz JDQGWTKENJTNKT-KGLIPLIRSA-N 1 2 357.370 1.805 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000173424727 524384357 /nfs/dbraw/zinc/38/43/57/524384357.db2.gz PHVISFUMFBHCGB-GFCCVEGCSA-N 1 2 356.386 1.825 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2[N+](=O)[O-])[nH+]cn1 ZINC000173424727 524384364 /nfs/dbraw/zinc/38/43/64/524384364.db2.gz PHVISFUMFBHCGB-GFCCVEGCSA-N 1 2 356.386 1.825 10 5 FDBELO Cc1cc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000173727953 524444685 /nfs/dbraw/zinc/44/46/85/524444685.db2.gz IXPSELWHJHFPGL-ZDUSSCGKSA-N 1 2 350.400 1.953 10 5 FDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000106092674 525573999 /nfs/dbraw/zinc/57/39/99/525573999.db2.gz ZDMUWAWABVAHLK-CYBMUJFWSA-N 1 2 353.386 1.916 10 5 FDBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000182239763 526108925 /nfs/dbraw/zinc/10/89/25/526108925.db2.gz STAFMIOHBYWMMY-AWEZNQCLSA-N 1 2 365.415 1.297 10 5 FDBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000182239763 526108929 /nfs/dbraw/zinc/10/89/29/526108929.db2.gz STAFMIOHBYWMMY-AWEZNQCLSA-N 1 2 365.415 1.297 10 5 FDBELO C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1[NH+]1CCOCC1 ZINC000246311630 536924654 /nfs/dbraw/zinc/92/46/54/536924654.db2.gz CMIQVUTWVREGSD-CZUORRHYSA-N 1 2 373.413 1.797 10 5 FDBELO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000247570911 537135616 /nfs/dbraw/zinc/13/56/16/537135616.db2.gz HEDGCBRPTSOEBB-QWHCGFSZSA-N 1 2 374.401 1.859 10 5 FDBELO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000247570911 537135620 /nfs/dbraw/zinc/13/56/20/537135620.db2.gz HEDGCBRPTSOEBB-QWHCGFSZSA-N 1 2 374.401 1.859 10 5 FDBELO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000246823414 178454662 /nfs/dbraw/zinc/45/46/62/178454662.db2.gz CJESNVDHKDLLDW-HUUCEWRRSA-N 1 2 362.430 1.637 10 5 FDBELO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1[NH+]1CCOCC1 ZINC000176705223 174084311 /nfs/dbraw/zinc/08/43/11/174084311.db2.gz VNKWDXUHAYUXKD-PXAZEXFGSA-N 1 2 360.414 1.636 10 5 FDBELO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000176991886 174098716 /nfs/dbraw/zinc/09/87/16/174098716.db2.gz LYSWEMBMQPYRPQ-CJNGLKHVSA-N 1 2 369.443 1.077 10 5 FDBELO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nnc2n1CCCC2 ZINC000173632314 258305913 /nfs/dbraw/zinc/30/59/13/258305913.db2.gz OEKYCIIBNKYELB-SWLSCSKDSA-N 1 2 370.413 1.979 10 5 FDBELO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC[N@@H+]1C[C@H](C)O ZINC000301784868 259033443 /nfs/dbraw/zinc/03/34/43/259033443.db2.gz KRXFNPGEPTZJHD-STQMWFEESA-N 1 2 371.459 1.280 10 5 FDBELO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC[N@H+]1C[C@H](C)O ZINC000301784868 259033444 /nfs/dbraw/zinc/03/34/44/259033444.db2.gz KRXFNPGEPTZJHD-STQMWFEESA-N 1 2 371.459 1.280 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000172262238 524183363 /nfs/dbraw/zinc/18/33/63/524183363.db2.gz CQRDTBNUYXSPAQ-AWEZNQCLSA-N 1 2 371.459 1.635 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000172262238 524183368 /nfs/dbraw/zinc/18/33/68/524183368.db2.gz CQRDTBNUYXSPAQ-AWEZNQCLSA-N 1 2 371.459 1.635 10 5 FDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116311357 525132793 /nfs/dbraw/zinc/13/27/93/525132793.db2.gz JKDKPLGVLUZRIR-LBPRGKRZSA-N 1 2 359.386 1.765 10 5 FDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116311357 525132802 /nfs/dbraw/zinc/13/28/02/525132802.db2.gz JKDKPLGVLUZRIR-LBPRGKRZSA-N 1 2 359.386 1.765 10 5 FDBELO C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH+]1CCOCC1 ZINC000177221980 525258169 /nfs/dbraw/zinc/25/81/69/525258169.db2.gz CMIQVUTWVREGSD-CJNGLKHVSA-N 1 2 373.413 1.797 10 5 FDBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106070963 525561292 /nfs/dbraw/zinc/56/12/92/525561292.db2.gz CXGFNMVLDIGUTE-UHFFFAOYSA-N 1 2 370.413 1.844 10 5 FDBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106070963 525561302 /nfs/dbraw/zinc/56/13/02/525561302.db2.gz CXGFNMVLDIGUTE-UHFFFAOYSA-N 1 2 370.413 1.844 10 5 FDBELO O=C(C[NH+]1CCC(Nc2cccnn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000106083029 525570565 /nfs/dbraw/zinc/57/05/65/525570565.db2.gz SSQGQTQLSRPOCF-UHFFFAOYSA-N 1 2 356.386 1.900 10 5 FDBELO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000106219211 525679198 /nfs/dbraw/zinc/67/91/98/525679198.db2.gz IXEUFGXJHILQNE-ZDUSSCGKSA-N 1 2 374.401 1.861 10 5 FDBELO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000106219211 525679201 /nfs/dbraw/zinc/67/92/01/525679201.db2.gz IXEUFGXJHILQNE-ZDUSSCGKSA-N 1 2 374.401 1.861 10 5 FDBELO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000171286591 525929964 /nfs/dbraw/zinc/92/99/64/525929964.db2.gz RGTWZMIUBFLYEP-LLVKDONJSA-N 1 2 352.347 1.180 10 5 FDBELO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000171286591 525929968 /nfs/dbraw/zinc/92/99/68/525929968.db2.gz RGTWZMIUBFLYEP-LLVKDONJSA-N 1 2 352.347 1.180 10 5 FDBELO COc1ccc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000109659290 526159874 /nfs/dbraw/zinc/15/98/74/526159874.db2.gz DFKXKQUNDCMPBD-UHFFFAOYSA-N 1 2 373.413 1.685 10 5 FDBELO COc1ccc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000109659290 526159878 /nfs/dbraw/zinc/15/98/78/526159878.db2.gz DFKXKQUNDCMPBD-UHFFFAOYSA-N 1 2 373.413 1.685 10 5 FDBELO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+]1CCOCC1 ZINC000246485467 536963341 /nfs/dbraw/zinc/96/33/41/536963341.db2.gz OYRLUOZAXRIESP-KBXCAEBGSA-N 1 2 374.441 1.136 10 5 FDBELO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000248425498 537179962 /nfs/dbraw/zinc/17/99/62/537179962.db2.gz IPWOTZGHENSTLJ-CZUORRHYSA-N 1 2 369.443 1.077 10 5 FDBELO COc1cc(CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000245726245 178377385 /nfs/dbraw/zinc/37/73/85/178377385.db2.gz IULICSZXLQBPEM-XJKSGUPXSA-N 1 2 365.430 1.765 10 5 FDBELO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000172766450 258284911 /nfs/dbraw/zinc/28/49/11/258284911.db2.gz CWAIXEHBZXIGNM-LBPRGKRZSA-N 1 2 351.428 1.863 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000173407768 258298273 /nfs/dbraw/zinc/29/82/73/258298273.db2.gz PFNGGOAFIBGBSE-CQSZACIVSA-N 1 2 356.386 1.825 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000173407768 258298274 /nfs/dbraw/zinc/29/82/74/258298274.db2.gz PFNGGOAFIBGBSE-CQSZACIVSA-N 1 2 356.386 1.825 10 5 FDBELO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000136088662 173356622 /nfs/dbraw/zinc/35/66/22/173356622.db2.gz FGQYAJOASNDXGQ-HNNXBMFYSA-N 1 2 358.398 1.552 10 5 FDBELO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000177278298 174119031 /nfs/dbraw/zinc/11/90/31/174119031.db2.gz XJBWFUDPFCWVMB-KSSFIOAISA-N 1 2 374.441 1.136 10 5 FDBELO O=C(NC1CC1)c1ccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000066745806 523186760 /nfs/dbraw/zinc/18/67/60/523186760.db2.gz RIODWSSNDJMTAN-OAHLLOKOSA-N 1 2 360.414 1.762 10 5 FDBELO O=C(NC1CC1)c1ccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000066745806 523186765 /nfs/dbraw/zinc/18/67/65/523186765.db2.gz RIODWSSNDJMTAN-OAHLLOKOSA-N 1 2 360.414 1.762 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])s2)nc[nH+]1 ZINC000173434638 524389514 /nfs/dbraw/zinc/38/95/14/524389514.db2.gz OEFHMDOYCYCIQC-JTQLQIEISA-N 1 2 362.415 1.887 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])s2)[nH+]cn1 ZINC000173434638 524389524 /nfs/dbraw/zinc/38/95/24/524389524.db2.gz OEFHMDOYCYCIQC-JTQLQIEISA-N 1 2 362.415 1.887 10 5 FDBELO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCOCC2)nc1-c1ccccc1 ZINC000090067883 524578433 /nfs/dbraw/zinc/57/84/33/524578433.db2.gz QCLLGLZGIJGYDG-OAHLLOKOSA-N 1 2 358.398 1.762 10 5 FDBELO COc1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)cc1[N+](=O)[O-] ZINC000106092073 525573308 /nfs/dbraw/zinc/57/33/08/525573308.db2.gz FFBSHYQEBSIJLR-UHFFFAOYSA-N 1 2 369.385 1.363 10 5 FDBELO COc1c(F)cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000186426678 536234350 /nfs/dbraw/zinc/23/43/50/536234350.db2.gz QVLWUOOKZKWKNU-LLVKDONJSA-N 1 2 373.406 1.601 10 5 FDBELO COc1c(F)cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000186426678 536234351 /nfs/dbraw/zinc/23/43/51/536234351.db2.gz QVLWUOOKZKWKNU-LLVKDONJSA-N 1 2 373.406 1.601 10 5 FDBELO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1[NH+]1CCOCC1 ZINC000246281753 536917125 /nfs/dbraw/zinc/91/71/25/536917125.db2.gz AKWXOAKGAOLPPC-CXAGYDPISA-N 1 2 363.414 1.614 10 5 FDBELO C[C@@H](CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000125383052 173003223 /nfs/dbraw/zinc/00/32/23/173003223.db2.gz AYCHSFNZCWOBOM-LBPRGKRZSA-N 1 2 357.432 1.379 10 5 FDBELO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000176684861 174082768 /nfs/dbraw/zinc/08/27/68/174082768.db2.gz TXYZSFZMLFHXAV-SNVBAGLBSA-N 1 2 363.823 1.166 10 5 FDBELO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000176684861 174082771 /nfs/dbraw/zinc/08/27/71/174082771.db2.gz TXYZSFZMLFHXAV-SNVBAGLBSA-N 1 2 363.823 1.166 10 5 FDBELO Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000176993444 174099043 /nfs/dbraw/zinc/09/90/43/174099043.db2.gz WFJVXDJOVSJBPF-XJKSGUPXSA-N 1 2 369.443 1.244 10 5 FDBELO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1[NH+]1CCOCC1 ZINC000177281321 174119583 /nfs/dbraw/zinc/11/95/83/174119583.db2.gz AKWXOAKGAOLPPC-GUYCJALGSA-N 1 2 363.414 1.614 10 5 FDBELO Cn1ncc2c1nc[nH+]c2N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302840269 259046864 /nfs/dbraw/zinc/04/68/64/259046864.db2.gz CBHMWOBFASYFSA-UHFFFAOYSA-N 1 2 357.349 1.737 10 5 FDBELO Cc1nn(C)c(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000114691691 524853174 /nfs/dbraw/zinc/85/31/74/524853174.db2.gz WWYQDUVZQQYWDX-OAHLLOKOSA-N 1 2 373.413 1.128 10 5 FDBELO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000117369771 525329628 /nfs/dbraw/zinc/32/96/28/525329628.db2.gz RHFSPUNEKBMFCI-NSHDSACASA-N 1 2 361.395 1.075 10 5 FDBELO COCC[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000117369771 525329640 /nfs/dbraw/zinc/32/96/40/525329640.db2.gz RHFSPUNEKBMFCI-NSHDSACASA-N 1 2 361.395 1.075 10 5 FDBELO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000171528035 526023823 /nfs/dbraw/zinc/02/38/23/526023823.db2.gz DOTHEMMYMDEIBD-HNNXBMFYSA-N 1 2 356.386 1.413 10 5 FDBELO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000171528035 526023835 /nfs/dbraw/zinc/02/38/35/526023835.db2.gz DOTHEMMYMDEIBD-HNNXBMFYSA-N 1 2 356.386 1.413 10 5 FDBELO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000184648370 536172388 /nfs/dbraw/zinc/17/23/88/536172388.db2.gz IPWOTZGHENSTLJ-CJNGLKHVSA-N 1 2 369.443 1.077 10 5 FDBELO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000176975208 174097653 /nfs/dbraw/zinc/09/76/53/174097653.db2.gz LBRBJHOEYNMUNB-SNVBAGLBSA-N 1 2 372.219 1.808 10 5 FDBELO Cc1nnc([C@@H]2C[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)[nH]1 ZINC000173665319 258307055 /nfs/dbraw/zinc/30/70/55/258307055.db2.gz UDRAKXDKGHXBSC-HNNXBMFYSA-N 1 2 374.401 1.732 10 5 FDBELO Cc1nnc([C@@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCO2)[nH]1 ZINC000173665319 258307056 /nfs/dbraw/zinc/30/70/56/258307056.db2.gz UDRAKXDKGHXBSC-HNNXBMFYSA-N 1 2 374.401 1.732 10 5 FDBELO CCOc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173829333 258312403 /nfs/dbraw/zinc/31/24/03/258312403.db2.gz ZEYSZAJXTXETHN-CJNGLKHVSA-N 1 2 363.414 1.786 10 5 FDBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173971981 258316022 /nfs/dbraw/zinc/31/60/22/258316022.db2.gz IVPXUYQXNLEKGC-ABAIWWIYSA-N 1 2 364.358 1.296 10 5 FDBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000056058417 521772416 /nfs/dbraw/zinc/77/24/16/521772416.db2.gz AVCGAEBYHJYCBU-CYBMUJFWSA-N 1 2 355.416 1.462 10 5 FDBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000056058417 521772420 /nfs/dbraw/zinc/77/24/20/521772420.db2.gz AVCGAEBYHJYCBU-CYBMUJFWSA-N 1 2 355.416 1.462 10 5 FDBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000182791313 535863431 /nfs/dbraw/zinc/86/34/31/535863431.db2.gz JLRILOJECJBDHB-UHFFFAOYSA-N 1 2 371.397 1.975 10 5 FDBELO CNS(=O)(=O)c1ccc(N2CCC[C@H]2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267363555 536970306 /nfs/dbraw/zinc/97/03/06/536970306.db2.gz ILVYQYMTTKNGTB-LBPRGKRZSA-N 1 2 365.415 1.368 10 5 FDBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245832381 178383339 /nfs/dbraw/zinc/38/33/39/178383339.db2.gz SUXSUULMLTYORF-TZMCWYRMSA-N 1 2 374.401 1.859 10 5 FDBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245832381 178383341 /nfs/dbraw/zinc/38/33/41/178383341.db2.gz SUXSUULMLTYORF-TZMCWYRMSA-N 1 2 374.401 1.859 10 5 FDBELO Cc1noc([C@@H](C)N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000137044919 173367534 /nfs/dbraw/zinc/36/75/34/173367534.db2.gz ASVFSRKYGQVVRR-WBMJQRKESA-N 1 2 361.402 1.698 10 5 FDBELO Nc1c(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000176515076 174074049 /nfs/dbraw/zinc/07/40/49/174074049.db2.gz KQKIWWHPOHGVRG-QGZVFWFLSA-N 1 2 370.409 1.668 10 5 FDBELO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000176992777 174098742 /nfs/dbraw/zinc/09/87/42/174098742.db2.gz NUFBPKRWINJTSA-UKRRQHHQSA-N 1 2 369.443 1.244 10 5 FDBELO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+]1CCOCC1 ZINC000173969883 258315838 /nfs/dbraw/zinc/31/58/38/258315838.db2.gz LCBVDEQTZPJPJF-IAQYHMDHSA-N 1 2 359.386 1.264 10 5 FDBELO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000046269781 522266887 /nfs/dbraw/zinc/26/68/87/522266887.db2.gz UFCKSEUTKHQMOG-SNVBAGLBSA-N 1 2 352.347 1.262 10 5 FDBELO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173989176 524499194 /nfs/dbraw/zinc/49/91/94/524499194.db2.gz BIWNGNQANCJZMH-ZDUSSCGKSA-N 1 2 368.821 1.593 10 5 FDBELO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000181992875 526011014 /nfs/dbraw/zinc/01/10/14/526011014.db2.gz ZILSMILVOLHLHZ-LLVKDONJSA-N 1 2 373.356 1.989 10 5 FDBELO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000181992875 526011015 /nfs/dbraw/zinc/01/10/15/526011015.db2.gz ZILSMILVOLHLHZ-LLVKDONJSA-N 1 2 373.356 1.989 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000246989641 537063865 /nfs/dbraw/zinc/06/38/65/537063865.db2.gz GCTMXOMXHOKAHU-CQSZACIVSA-N 1 2 371.459 1.635 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000246989641 537063867 /nfs/dbraw/zinc/06/38/67/537063867.db2.gz GCTMXOMXHOKAHU-CQSZACIVSA-N 1 2 371.459 1.635 10 5 FDBELO Cc1noc([C@@H](C)N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000137045015 173367229 /nfs/dbraw/zinc/36/72/29/173367229.db2.gz ASVFSRKYGQVVRR-MLGOLLRUSA-N 1 2 361.402 1.698 10 5 FDBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000173729858 524446440 /nfs/dbraw/zinc/44/64/40/524446440.db2.gz IATIUHXJRJAAJH-GFCCVEGCSA-N 1 2 354.363 1.784 10 5 FDBELO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000117275103 525295490 /nfs/dbraw/zinc/29/54/90/525295490.db2.gz KBTXUVYGDKXLKH-CYBMUJFWSA-N 1 2 351.403 1.786 10 5 FDBELO CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C 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1 2 371.441 1.832 10 5 FDBELO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173969234 258316268 /nfs/dbraw/zinc/31/62/68/258316268.db2.gz QUFALDILFVEDIR-YPMHNXCESA-N 1 2 351.407 1.063 10 5 FDBELO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173969234 258316269 /nfs/dbraw/zinc/31/62/69/258316269.db2.gz QUFALDILFVEDIR-YPMHNXCESA-N 1 2 351.407 1.063 10 5 FDBELO CC[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000110560432 524104190 /nfs/dbraw/zinc/10/41/90/524104190.db2.gz REBNUXHPAUISAE-CYBMUJFWSA-N 1 2 371.459 1.545 10 5 FDBELO CC[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000110560432 524104194 /nfs/dbraw/zinc/10/41/94/524104194.db2.gz REBNUXHPAUISAE-CYBMUJFWSA-N 1 2 371.459 1.545 10 5 FDBELO CCOCC[N@@H+]1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C[C@@H]1CC ZINC000172081154 524112995 /nfs/dbraw/zinc/11/29/95/524112995.db2.gz FDMQZPYMYMFGRV-LBPRGKRZSA-N 1 2 353.423 1.453 10 5 FDBELO 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ZINC000246948693 537056150 /nfs/dbraw/zinc/05/61/50/537056150.db2.gz CQRDTBNUYXSPAQ-CQSZACIVSA-N 1 2 371.459 1.635 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248427433 537180494 /nfs/dbraw/zinc/18/04/94/537180494.db2.gz NGSDBUJDCQYXMS-CQSZACIVSA-N 1 2 371.459 1.467 10 5 FDBELO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248427433 537180495 /nfs/dbraw/zinc/18/04/95/537180495.db2.gz NGSDBUJDCQYXMS-CQSZACIVSA-N 1 2 371.459 1.467 10 5 FDBELO Nc1ncnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-] ZINC000040608812 132947144 /nfs/dbraw/zinc/94/71/44/132947144.db2.gz WBMJMWBPQXMBIC-UHFFFAOYSA-N 1 2 358.358 1.018 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c(N)cccc2[N+](=O)[O-])nc[nH+]1 ZINC000181136836 174207858 /nfs/dbraw/zinc/20/78/58/174207858.db2.gz HCWKYTQIUXHXIB-LLVKDONJSA-N 1 2 371.401 1.408 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c(N)cccc2[N+](=O)[O-])[nH+]cn1 ZINC000181136836 174207860 /nfs/dbraw/zinc/20/78/60/174207860.db2.gz HCWKYTQIUXHXIB-LLVKDONJSA-N 1 2 371.401 1.408 10 5 FDBELO COc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000173732170 258308772 /nfs/dbraw/zinc/30/87/72/258308772.db2.gz KBLWAFIGDNZWEY-LBPRGKRZSA-N 1 2 366.399 1.653 10 5 FDBELO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000173969870 258316089 /nfs/dbraw/zinc/31/60/89/258316089.db2.gz LCBVDEQTZPJPJF-NHYWBVRUSA-N 1 2 359.386 1.264 10 5 FDBELO COc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000193881838 258393827 /nfs/dbraw/zinc/39/38/27/258393827.db2.gz FTIBPKCODIORKY-GFCCVEGCSA-N 1 2 355.416 1.462 10 5 FDBELO COc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000193881838 258393828 /nfs/dbraw/zinc/39/38/28/258393828.db2.gz FTIBPKCODIORKY-GFCCVEGCSA-N 1 2 355.416 1.462 10 5 FDBELO COCC[NH+]1[C@@H](C)CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000301899947 259035873 /nfs/dbraw/zinc/03/58/73/259035873.db2.gz UGSVXSJEGRYBCN-STQMWFEESA-N 1 2 371.459 1.544 10 5 FDBELO COc1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000121013023 524126258 /nfs/dbraw/zinc/12/62/58/524126258.db2.gz GBUFRZXBCAOJCC-CQSZACIVSA-N 1 2 351.403 1.519 10 5 FDBELO COc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000173729994 524446385 /nfs/dbraw/zinc/44/63/85/524446385.db2.gz XYNVCIFIAMHBLB-GFCCVEGCSA-N 1 2 366.399 1.653 10 5 FDBELO O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000112651152 524525053 /nfs/dbraw/zinc/52/50/53/524525053.db2.gz HKSPPGMZHCEVGJ-GFCCVEGCSA-N 1 2 353.342 1.117 10 5 FDBELO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1 ZINC000124890811 525099748 /nfs/dbraw/zinc/09/97/48/525099748.db2.gz CGIVQRDSEUINAW-INIZCTEOSA-N 1 2 372.425 1.860 10 5 FDBELO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1 ZINC000124891025 525099770 /nfs/dbraw/zinc/09/97/70/525099770.db2.gz CGIVQRDSEUINAW-MRXNPFEDSA-N 1 2 372.425 1.860 10 5 FDBELO C[N@@H+]1CCO[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116739813 525202538 /nfs/dbraw/zinc/20/25/38/525202538.db2.gz GBWAREGWOQCWKH-LBPRGKRZSA-N 1 2 357.794 1.464 10 5 FDBELO C[N@H+]1CCO[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116739813 525202548 /nfs/dbraw/zinc/20/25/48/525202548.db2.gz GBWAREGWOQCWKH-LBPRGKRZSA-N 1 2 357.794 1.464 10 5 FDBELO CCCc1n[nH]c(C(=O)N2CC[N@H+](CCOCC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000117424609 525336270 /nfs/dbraw/zinc/33/62/70/525336270.db2.gz CZMXGOLMDGZKIM-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO CCCc1n[nH]c(C(=O)N2CC[N@@H+](CCOCC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000117424609 525336282 /nfs/dbraw/zinc/33/62/82/525336282.db2.gz CZMXGOLMDGZKIM-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO CCCc1[nH]nc(C(=O)N2CC[N@H+](CCOCC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000117424609 525336296 /nfs/dbraw/zinc/33/62/96/525336296.db2.gz CZMXGOLMDGZKIM-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO CCCc1[nH]nc(C(=O)N2CC[N@@H+](CCOCC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000117424609 525336307 /nfs/dbraw/zinc/33/63/07/525336307.db2.gz CZMXGOLMDGZKIM-GFCCVEGCSA-N 1 2 353.423 1.453 10 5 FDBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000182029767 526027747 /nfs/dbraw/zinc/02/77/47/526027747.db2.gz CASUTBAEGHUFPB-RHSMWYFYSA-N 1 2 368.455 1.996 10 5 FDBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000182029767 526027760 /nfs/dbraw/zinc/02/77/60/526027760.db2.gz CASUTBAEGHUFPB-RHSMWYFYSA-N 1 2 368.455 1.996 10 5 FDBELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193587651 178170938 /nfs/dbraw/zinc/17/09/38/178170938.db2.gz PNFPDFOPHRLFBY-UHFFFAOYSA-N 1 2 374.401 1.004 10 5 FDBELO CS(=O)(=O)c1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267416945 179831784 /nfs/dbraw/zinc/83/17/84/179831784.db2.gz SUZUYAMUECAZQQ-GFCCVEGCSA-N 1 2 350.400 1.864 10 5 FDBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171705377 258268868 /nfs/dbraw/zinc/26/88/68/258268868.db2.gz SUXSUULMLTYORF-JSGCOSHPSA-N 1 2 374.401 1.859 10 5 FDBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171705377 258268869 /nfs/dbraw/zinc/26/88/69/258268869.db2.gz SUXSUULMLTYORF-JSGCOSHPSA-N 1 2 374.401 1.859 10 5 FDBELO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172767287 258285074 /nfs/dbraw/zinc/28/50/74/258285074.db2.gz SIBKKTQZQZOJMJ-QGZVFWFLSA-N 1 2 371.397 1.327 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000173429017 258298890 /nfs/dbraw/zinc/29/88/90/258298890.db2.gz VJKPFIRJWKZXTJ-CQSZACIVSA-N 1 2 356.386 1.825 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc([N+](=O)[O-])c2)[nH+]cn1 ZINC000173429017 258298891 /nfs/dbraw/zinc/29/88/91/258298891.db2.gz VJKPFIRJWKZXTJ-CQSZACIVSA-N 1 2 356.386 1.825 10 5 FDBELO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000120471450 172800275 /nfs/dbraw/zinc/80/02/75/172800275.db2.gz YAMYYNYCMODPPW-HWKANZROSA-N 1 2 365.397 1.868 10 5 FDBELO CCc1nn(C)c(NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)c1[N+](=O)[O-] ZINC000129161946 173130108 /nfs/dbraw/zinc/13/01/08/173130108.db2.gz AYYHRNAFKDCNGX-NSHDSACASA-N 1 2 360.422 1.803 10 5 FDBELO CCc1nn(C)c(NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)c1[N+](=O)[O-] ZINC000129161946 173130110 /nfs/dbraw/zinc/13/01/10/173130110.db2.gz AYYHRNAFKDCNGX-NSHDSACASA-N 1 2 360.422 1.803 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(F)cc2[N+](=O)[O-])nc[nH+]1 ZINC000136007746 173355593 /nfs/dbraw/zinc/35/55/93/173355593.db2.gz TZQFVAMJNBBQTI-LBPRGKRZSA-N 1 2 374.376 1.964 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[nH+]cn1 ZINC000136007746 173355595 /nfs/dbraw/zinc/35/55/95/173355595.db2.gz TZQFVAMJNBBQTI-LBPRGKRZSA-N 1 2 374.376 1.964 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc([N+](=O)[O-])c2N)nc[nH+]1 ZINC000176953655 174096542 /nfs/dbraw/zinc/09/65/42/174096542.db2.gz YMGSCKBMRZEPCN-NSHDSACASA-N 1 2 371.401 1.408 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc([N+](=O)[O-])c2N)[nH+]cn1 ZINC000176953655 174096544 /nfs/dbraw/zinc/09/65/44/174096544.db2.gz YMGSCKBMRZEPCN-NSHDSACASA-N 1 2 371.401 1.408 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])cnc2C)nc[nH+]1 ZINC000173435275 524389374 /nfs/dbraw/zinc/38/93/74/524389374.db2.gz RUEPCWIVAKJTOH-GFCCVEGCSA-N 1 2 371.401 1.529 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])cnc2C)[nH+]cn1 ZINC000173435275 524389386 /nfs/dbraw/zinc/38/93/86/524389386.db2.gz RUEPCWIVAKJTOH-GFCCVEGCSA-N 1 2 371.401 1.529 10 5 FDBELO CCOc1cc(C)nc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174850226 524760191 /nfs/dbraw/zinc/76/01/91/524760191.db2.gz QDGVPIAFTGYWQN-UHFFFAOYSA-N 1 2 361.406 1.111 10 5 FDBELO Cc1ccnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000115517872 525010431 /nfs/dbraw/zinc/01/04/31/525010431.db2.gz YJIQGAUITFNQGQ-MRXNPFEDSA-N 1 2 372.425 1.860 10 5 FDBELO CCOCC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000117278697 525297014 /nfs/dbraw/zinc/29/70/14/525297014.db2.gz PERRFSDIMNPCTG-LBPRGKRZSA-N 1 2 361.402 1.654 10 5 FDBELO CCOCC[N@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000117278697 525297021 /nfs/dbraw/zinc/29/70/21/525297021.db2.gz PERRFSDIMNPCTG-LBPRGKRZSA-N 1 2 361.402 1.654 10 5 FDBELO Cc1cc(N2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n2ncnc2n1 ZINC000103466568 525356190 /nfs/dbraw/zinc/35/61/90/525356190.db2.gz OQEHQOKQBUTNOF-UHFFFAOYSA-N 1 2 371.376 1.802 10 5 FDBELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000171289163 525932748 /nfs/dbraw/zinc/93/27/48/525932748.db2.gz ARSWRGSAYUHBSN-OAHLLOKOSA-N 1 2 362.430 1.646 10 5 FDBELO C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000171289163 525932754 /nfs/dbraw/zinc/93/27/54/525932754.db2.gz ARSWRGSAYUHBSN-OAHLLOKOSA-N 1 2 362.430 1.646 10 5 FDBELO CC[C@](C)(O)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000187325840 536261978 /nfs/dbraw/zinc/26/19/78/536261978.db2.gz LGTHZHCEGFCJFX-INIZCTEOSA-N 1 2 371.459 1.281 10 5 FDBELO CSc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000172757943 258284250 /nfs/dbraw/zinc/28/42/50/258284250.db2.gz QMLZVISFJKLMTC-ZDUSSCGKSA-N 1 2 351.428 1.863 10 5 FDBELO C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000051469976 523031140 /nfs/dbraw/zinc/03/11/40/523031140.db2.gz SWYWKJSRQXSTGR-ZDUSSCGKSA-N 1 2 362.411 1.779 10 5 FDBELO C[N@H+]1CCO[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000051469976 523031148 /nfs/dbraw/zinc/03/11/48/523031148.db2.gz SWYWKJSRQXSTGR-ZDUSSCGKSA-N 1 2 362.411 1.779 10 5 FDBELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155158119 525766264 /nfs/dbraw/zinc/76/62/64/525766264.db2.gz FJIUVTLZQVSSLU-SNVBAGLBSA-N 1 2 373.207 1.809 10 5 FDBELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155158119 525766274 /nfs/dbraw/zinc/76/62/74/525766274.db2.gz FJIUVTLZQVSSLU-SNVBAGLBSA-N 1 2 373.207 1.809 10 5 FDBELO Cn1ccnc1C(=O)c1ccc(NC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000108945509 526046868 /nfs/dbraw/zinc/04/68/68/526046868.db2.gz FRKGGAADIVPQFL-ZDUSSCGKSA-N 1 2 359.386 1.302 10 5 FDBELO Cn1ccnc1C(=O)c1ccc(NC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000108945509 526046876 /nfs/dbraw/zinc/04/68/76/526046876.db2.gz FRKGGAADIVPQFL-ZDUSSCGKSA-N 1 2 359.386 1.302 10 5 FDBELO C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCOCC1 ZINC000120551688 526106124 /nfs/dbraw/zinc/10/61/24/526106124.db2.gz CDHKQCOYWOTQEA-CQSZACIVSA-N 1 2 362.430 1.990 10 5 FDBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cn1 ZINC000109660297 526157996 /nfs/dbraw/zinc/15/79/96/526157996.db2.gz XNLALBXKGDSGTR-UHFFFAOYSA-N 1 2 372.429 1.742 10 5 FDBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cn1 ZINC000109660297 526158009 /nfs/dbraw/zinc/15/80/09/526158009.db2.gz XNLALBXKGDSGTR-UHFFFAOYSA-N 1 2 372.429 1.742 10 5 FDBELO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000184381360 536141271 /nfs/dbraw/zinc/14/12/71/536141271.db2.gz GQKFSMKPDUQAQO-SFHVURJKSA-N 1 2 370.409 1.668 10 5 FDBELO C[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000184648391 536173020 /nfs/dbraw/zinc/17/30/20/536173020.db2.gz IPWOTZGHENSTLJ-BBRMVZONSA-N 1 2 369.443 1.077 10 5 FDBELO CCCc1n[nH]c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000246736001 537015323 /nfs/dbraw/zinc/01/53/23/537015323.db2.gz FTMHEMBNEWFMEZ-RYUDHWBXSA-N 1 2 353.423 1.188 10 5 FDBELO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000246736001 537015328 /nfs/dbraw/zinc/01/53/28/537015328.db2.gz FTMHEMBNEWFMEZ-RYUDHWBXSA-N 1 2 353.423 1.188 10 5 FDBELO CCCc1[nH]nc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000246736001 537015331 /nfs/dbraw/zinc/01/53/31/537015331.db2.gz FTMHEMBNEWFMEZ-RYUDHWBXSA-N 1 2 353.423 1.188 10 5 FDBELO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000246736001 537015335 /nfs/dbraw/zinc/01/53/35/537015335.db2.gz FTMHEMBNEWFMEZ-RYUDHWBXSA-N 1 2 353.423 1.188 10 5 FDBELO COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262492074 672798344 /nfs/dbraw/zinc/79/83/44/672798344.db2.gz GKTXEEMLTGBSTF-AWEZNQCLSA-N 1 2 351.403 1.974 10 5 FDBELO COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262492074 672798347 /nfs/dbraw/zinc/79/83/47/672798347.db2.gz GKTXEEMLTGBSTF-AWEZNQCLSA-N 1 2 351.403 1.974 10 5 FDBELO COc1ccc(C[NH+]2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262492074 672798350 /nfs/dbraw/zinc/79/83/50/672798350.db2.gz GKTXEEMLTGBSTF-AWEZNQCLSA-N 1 2 351.403 1.974 10 5 FDBELO COc1ccc(C[NH+]2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262492074 672798352 /nfs/dbraw/zinc/79/83/52/672798352.db2.gz GKTXEEMLTGBSTF-AWEZNQCLSA-N 1 2 351.403 1.974 10 5 FDBELO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750523 258283708 /nfs/dbraw/zinc/28/37/08/258283708.db2.gz CHSUYGMVODKOLO-INIZCTEOSA-N 1 2 371.397 1.327 10 5 FDBELO 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ZINC000106152169 525634902 /nfs/dbraw/zinc/63/49/02/525634902.db2.gz OIVDAUXKJJJCBA-UHFFFAOYSA-N 1 2 373.413 1.985 10 5 FDBELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000119601011 525801105 /nfs/dbraw/zinc/80/11/05/525801105.db2.gz PXXMPGSSJKGAEW-GFCCVEGCSA-N 1 2 358.192 1.418 10 5 FDBELO C[N@H+]1CCO[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000119601011 525801111 /nfs/dbraw/zinc/80/11/11/525801111.db2.gz PXXMPGSSJKGAEW-GFCCVEGCSA-N 1 2 358.192 1.418 10 5 FDBELO Cn1cc([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000181890790 525972417 /nfs/dbraw/zinc/97/24/17/525972417.db2.gz RYCSXTMALFWZIU-ZDUSSCGKSA-N 1 2 364.427 1.592 10 5 FDBELO Cn1cc([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000181890790 525972429 /nfs/dbraw/zinc/97/24/29/525972429.db2.gz RYCSXTMALFWZIU-ZDUSSCGKSA-N 1 2 364.427 1.592 10 5 FDBELO CC(C)c1nc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000173365536 258297346 /nfs/dbraw/zinc/29/73/46/258297346.db2.gz IOMZJJZJEKIHEM-QWHCGFSZSA-N 1 2 350.379 1.496 10 5 FDBELO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000173365536 258297347 /nfs/dbraw/zinc/29/73/47/258297347.db2.gz IOMZJJZJEKIHEM-QWHCGFSZSA-N 1 2 350.379 1.496 10 5 FDBELO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000134758235 173332273 /nfs/dbraw/zinc/33/22/73/173332273.db2.gz WLYCJJSJSIUAFT-CQSZACIVSA-N 1 2 371.397 1.327 10 5 FDBELO CC[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc([N+](=O)[O-])c1 ZINC000181554582 174232754 /nfs/dbraw/zinc/23/27/54/174232754.db2.gz FWFNXRLKUNVYRN-GFCCVEGCSA-N 1 2 372.385 1.109 10 5 FDBELO COc1ccc(OCC[N@@H+]2CCO[C@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC000173695128 258307995 /nfs/dbraw/zinc/30/79/95/258307995.db2.gz CNCBQNAFHABBIS-HNNXBMFYSA-N 1 2 362.386 1.580 10 5 FDBELO COc1ccc(OCC[N@H+]2CCO[C@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC000173695128 258307996 /nfs/dbraw/zinc/30/79/96/258307996.db2.gz CNCBQNAFHABBIS-HNNXBMFYSA-N 1 2 362.386 1.580 10 5 FDBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000173972005 258315752 /nfs/dbraw/zinc/31/57/52/258315752.db2.gz IVPXUYQXNLEKGC-IAQYHMDHSA-N 1 2 364.358 1.296 10 5 FDBELO Cc1nn(C)c(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000301619805 259030440 /nfs/dbraw/zinc/03/04/40/259030440.db2.gz DNTGLNOXDKYKIJ-HOTGVXAUSA-N 1 2 357.414 1.726 10 5 FDBELO Cc1nn(C)c(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000301619805 259030441 /nfs/dbraw/zinc/03/04/41/259030441.db2.gz DNTGLNOXDKYKIJ-HOTGVXAUSA-N 1 2 357.414 1.726 10 5 FDBELO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000117285576 525304725 /nfs/dbraw/zinc/30/47/25/525304725.db2.gz BHDFXCSALRPAFL-LLVKDONJSA-N 1 2 366.374 1.604 10 5 FDBELO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000117285576 525304732 /nfs/dbraw/zinc/30/47/32/525304732.db2.gz BHDFXCSALRPAFL-LLVKDONJSA-N 1 2 366.374 1.604 10 5 FDBELO CC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCOC ZINC000117303666 525315141 /nfs/dbraw/zinc/31/51/41/525315141.db2.gz UFUPPHLCXIQJBN-LBPRGKRZSA-N 1 2 361.402 1.654 10 5 FDBELO CC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCOC ZINC000117303666 525315150 /nfs/dbraw/zinc/31/51/50/525315150.db2.gz UFUPPHLCXIQJBN-LBPRGKRZSA-N 1 2 361.402 1.654 10 5 FDBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](n2cncn2)C1 ZINC000171661976 526065958 /nfs/dbraw/zinc/06/59/58/526065958.db2.gz KECGOKZOILLORO-AWEZNQCLSA-N 1 2 367.369 1.849 10 5 FDBELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000184194502 536112941 /nfs/dbraw/zinc/11/29/41/536112941.db2.gz MEWCQKDQHURGPU-INIZCTEOSA-N 1 2 350.419 1.624 10 5 FDBELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000184194502 536112947 /nfs/dbraw/zinc/11/29/47/536112947.db2.gz MEWCQKDQHURGPU-INIZCTEOSA-N 1 2 350.419 1.624 10 5 FDBELO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000263508741 537040644 /nfs/dbraw/zinc/04/06/44/537040644.db2.gz MURWJVZAVIOFAE-UHFFFAOYSA-N 1 2 367.402 1.639 10 5 FDBELO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000263508741 537040648 /nfs/dbraw/zinc/04/06/48/537040648.db2.gz MURWJVZAVIOFAE-UHFFFAOYSA-N 1 2 367.402 1.639 10 5 FDBELO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@@H+]1C[C@@H](C)O ZINC000276211974 537334416 /nfs/dbraw/zinc/33/44/16/537334416.db2.gz KDBCWHDDPPCDTC-OLZOCXBDSA-N 1 2 371.459 1.280 10 5 FDBELO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@H+]1C[C@@H](C)O ZINC000276211974 537334422 /nfs/dbraw/zinc/33/44/22/537334422.db2.gz KDBCWHDDPPCDTC-OLZOCXBDSA-N 1 2 371.459 1.280 10 5 FDBELO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000117369768 172695415 /nfs/dbraw/zinc/69/54/15/172695415.db2.gz PWEDOEOBRTUZSQ-NSHDSACASA-N 1 2 361.395 1.075 10 5 FDBELO COCC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000117369768 172695418 /nfs/dbraw/zinc/69/54/18/172695418.db2.gz PWEDOEOBRTUZSQ-NSHDSACASA-N 1 2 361.395 1.075 10 5 FDBELO COc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000150791390 173380812 /nfs/dbraw/zinc/38/08/12/173380812.db2.gz NWZBTGBRJNZPEJ-GFCCVEGCSA-N 1 2 355.416 1.462 10 5 FDBELO COc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000150791390 173380815 /nfs/dbraw/zinc/38/08/15/173380815.db2.gz NWZBTGBRJNZPEJ-GFCCVEGCSA-N 1 2 355.416 1.462 10 5 FDBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000163907160 173800637 /nfs/dbraw/zinc/80/06/37/173800637.db2.gz QGRIVDZNWPRAAB-OAHLLOKOSA-N 1 2 364.427 1.828 10 5 FDBELO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000176993461 174099083 /nfs/dbraw/zinc/09/90/83/174099083.db2.gz WFJVXDJOVSJBPF-CZUORRHYSA-N 1 2 369.443 1.244 10 5 FDBELO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1[NH+]1CCOCC1 ZINC000177227817 174116627 /nfs/dbraw/zinc/11/66/27/174116627.db2.gz MUWIFWKFVMAWIA-CJNGLKHVSA-N 1 2 373.413 1.797 10 5 FDBELO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nnc2n1CCCC2 ZINC000173632357 258305764 /nfs/dbraw/zinc/30/57/64/258305764.db2.gz OEKYCIIBNKYELB-DOMZBBRYSA-N 1 2 370.413 1.979 10 5 FDBELO Cc1nnc([C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)[nH]1 ZINC000173672312 258307143 /nfs/dbraw/zinc/30/71/43/258307143.db2.gz VSLGNVZKXAGQNY-AWEZNQCLSA-N 1 2 360.374 1.423 10 5 FDBELO Cc1nnc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)[nH]1 ZINC000173672312 258307144 /nfs/dbraw/zinc/30/71/44/258307144.db2.gz VSLGNVZKXAGQNY-AWEZNQCLSA-N 1 2 360.374 1.423 10 5 FDBELO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173978555 258316372 /nfs/dbraw/zinc/31/63/72/258316372.db2.gz MBJKMOYVIUYAEP-CYBMUJFWSA-N 1 2 364.358 1.358 10 5 FDBELO Nc1nc(NCc2cn3cc(Br)ccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000301115457 259020947 /nfs/dbraw/zinc/02/09/47/259020947.db2.gz YEWVEDROXAFGJF-UHFFFAOYSA-N 1 2 364.163 1.989 10 5 FDBELO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000106171111 525649894 /nfs/dbraw/zinc/64/98/94/525649894.db2.gz QPOSOLQJBDZNLY-UHFFFAOYSA-N 1 2 367.413 1.902 10 5 FDBELO CC[C@@](C)(O)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000187325855 536262066 /nfs/dbraw/zinc/26/20/66/536262066.db2.gz LGTHZHCEGFCJFX-MRXNPFEDSA-N 1 2 371.459 1.281 10 5 FDBELO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1[NH+]1CCOCC1 ZINC000246281776 536917254 /nfs/dbraw/zinc/91/72/54/536917254.db2.gz AKWXOAKGAOLPPC-SUMWQHHRSA-N 1 2 363.414 1.614 10 5 FDBELO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000246488835 536964327 /nfs/dbraw/zinc/96/43/27/536964327.db2.gz LYSWEMBMQPYRPQ-CZUORRHYSA-N 1 2 369.443 1.077 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000173408238 258298636 /nfs/dbraw/zinc/29/86/36/258298636.db2.gz SHJKIBJVTPUSQV-OAHLLOKOSA-N 1 2 370.413 1.754 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000173408238 258298637 /nfs/dbraw/zinc/29/86/37/258298637.db2.gz SHJKIBJVTPUSQV-OAHLLOKOSA-N 1 2 370.413 1.754 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)ccc2[N+](=O)[O-])nc[nH+]1 ZINC000173427368 258298778 /nfs/dbraw/zinc/29/87/78/258298778.db2.gz BEWUIVVNXSEXJP-LBPRGKRZSA-N 1 2 374.376 1.964 10 5 FDBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[nH+]cn1 ZINC000173427368 258298779 /nfs/dbraw/zinc/29/87/79/258298779.db2.gz BEWUIVVNXSEXJP-LBPRGKRZSA-N 1 2 374.376 1.964 10 5 FDBELO CS(=O)(=O)c1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000125552893 173010222 /nfs/dbraw/zinc/01/02/22/173010222.db2.gz RHJQHWWDFYJQNA-CYBMUJFWSA-N 1 2 369.443 1.157 10 5 FDBELO CCOc1ccnc(N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000137046539 173367579 /nfs/dbraw/zinc/36/75/79/173367579.db2.gz WCAKOFFYSDFWDP-INIZCTEOSA-N 1 2 373.413 1.639 10 5 FDBELO C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1[NH+]1CCOCC1 ZINC000177227834 174115745 /nfs/dbraw/zinc/11/57/45/174115745.db2.gz MUWIFWKFVMAWIA-BBRMVZONSA-N 1 2 373.413 1.797 10 5 FDBELO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1[NH+]1CCOCC1 ZINC000177270353 174118599 /nfs/dbraw/zinc/11/85/99/174118599.db2.gz PITVJRGSRHHKOR-BBRMVZONSA-N 1 2 373.413 1.797 10 5 FDBELO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000173713629 258308373 /nfs/dbraw/zinc/30/83/73/258308373.db2.gz YAFZRYWVSQWJER-CYBMUJFWSA-N 1 2 362.390 1.472 10 5 FDBELO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000184597173 258382378 /nfs/dbraw/zinc/38/23/78/258382378.db2.gz FZRLDNPNKXNCMD-CQSZACIVSA-N 1 2 350.400 1.786 10 5 FDBELO Cc1c(NC(=O)[C@@H](C)N2CC[C@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000173988778 524499724 /nfs/dbraw/zinc/49/97/24/524499724.db2.gz CJESNVDHKDLLDW-CABCVRRESA-N 1 2 362.430 1.637 10 5 FDBELO COC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000171461644 526002101 /nfs/dbraw/zinc/00/21/01/526002101.db2.gz LIBLFLJJUVHTAL-CYBMUJFWSA-N 1 2 358.354 1.806 10 5 FDBELO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000182202844 526091788 /nfs/dbraw/zinc/09/17/88/526091788.db2.gz YDSRWWMSONHUDF-LBPRGKRZSA-N 1 2 371.340 1.743 10 5 FDBELO COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187672488 536271235 /nfs/dbraw/zinc/27/12/35/536271235.db2.gz GQPRQXFWQILVGE-QGZVFWFLSA-N 1 2 358.354 1.948 10 5 FDBELO COc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000249749175 537242408 /nfs/dbraw/zinc/24/24/08/537242408.db2.gz FTIBPKCODIORKY-LBPRGKRZSA-N 1 2 355.416 1.462 10 5 FDBELO COc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000249749175 537242410 /nfs/dbraw/zinc/24/24/10/537242410.db2.gz FTIBPKCODIORKY-LBPRGKRZSA-N 1 2 355.416 1.462 10 5 FDBELO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)s1 ZINC000192451576 178114880 /nfs/dbraw/zinc/11/48/80/178114880.db2.gz NELVACQYGNCORA-ZDUSSCGKSA-N 1 2 364.427 1.613 10 5 FDBELO C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000116725085 172675815 /nfs/dbraw/zinc/67/58/15/172675815.db2.gz LTFZYHJEUATIDG-LBPRGKRZSA-N 1 2 371.821 1.854 10 5 FDBELO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H]([NH+]4CCOCC4)C3)o2)cc1 ZINC000173943136 258315273 /nfs/dbraw/zinc/31/52/73/258315273.db2.gz OLOMFEXFBXVBBG-OAHLLOKOSA-N 1 2 359.386 1.551 10 5 FDBELO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000301791329 259033461 /nfs/dbraw/zinc/03/34/61/259033461.db2.gz RGJAHHKPKIFTKZ-GFCCVEGCSA-N 1 2 352.366 1.322 10 5 FDBELO O=C(c1cc(NC[C@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301804084 259034018 /nfs/dbraw/zinc/03/40/18/259034018.db2.gz XSDLNUUNAIFZBK-HNNXBMFYSA-N 1 2 359.430 1.243 10 5 FDBELO O=C(c1cc(NC[C@H]2CN3CC[NH+]2CC3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301804084 259034019 /nfs/dbraw/zinc/03/40/19/259034019.db2.gz XSDLNUUNAIFZBK-HNNXBMFYSA-N 1 2 359.430 1.243 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2F)nc[nH+]1 ZINC000173436433 524388126 /nfs/dbraw/zinc/38/81/26/524388126.db2.gz QDRFTFIGJMTLNA-GFCCVEGCSA-N 1 2 374.376 1.964 10 5 FDBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2F)[nH+]cn1 ZINC000173436433 524388135 /nfs/dbraw/zinc/38/81/35/524388135.db2.gz QDRFTFIGJMTLNA-GFCCVEGCSA-N 1 2 374.376 1.964 10 5 FDBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173729736 524447295 /nfs/dbraw/zinc/44/72/95/524447295.db2.gz UFFRVMCLXVPXQI-CYBMUJFWSA-N 1 2 366.399 1.653 10 5 FDBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160639889 524935388 /nfs/dbraw/zinc/93/53/88/524935388.db2.gz RBERGGLUBCLLLH-OAHLLOKOSA-N 1 2 353.444 1.637 10 5 FDBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000160639889 524935397 /nfs/dbraw/zinc/93/53/97/524935397.db2.gz RBERGGLUBCLLLH-OAHLLOKOSA-N 1 2 353.444 1.637 10 5 FDBELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CC ZINC000116899272 525248125 /nfs/dbraw/zinc/24/81/25/525248125.db2.gz 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C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920279 524483825 /nfs/dbraw/zinc/48/38/25/524483825.db2.gz BMPDILXLXJBTQR-CYBMUJFWSA-N 1 2 367.365 1.820 10 5 FDBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106071508 525560989 /nfs/dbraw/zinc/56/09/89/525560989.db2.gz AKWQDEYSLDSQTP-CQSZACIVSA-N 1 2 370.413 1.924 10 5 FDBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106071508 525560994 /nfs/dbraw/zinc/56/09/94/525560994.db2.gz AKWQDEYSLDSQTP-CQSZACIVSA-N 1 2 370.413 1.924 10 5 FDBELO CC(C)(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000129006573 525601943 /nfs/dbraw/zinc/60/19/43/525601943.db2.gz OCNNRWPIDQYFEQ-CQSZACIVSA-N 1 2 365.430 1.315 10 5 FDBELO C[N@@H+]1CCO[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120193854 525989979 /nfs/dbraw/zinc/98/99/79/525989979.db2.gz XWDIWRCRYCXIIG-MRXNPFEDSA-N 1 2 350.419 1.547 10 5 FDBELO C[N@H+]1CCO[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 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372.219 1.808 10 5 FDBELO Cn1cc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301292561 259024993 /nfs/dbraw/zinc/02/49/93/259024993.db2.gz PWUIFOQUYIHAQX-HNNXBMFYSA-N 1 2 367.431 1.447 10 5 FDBELO Cc1cc(NC[C@@H]2CC[C@@H](C(N)=O)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301631170 259031218 /nfs/dbraw/zinc/03/12/18/259031218.db2.gz JDQGWTKENJTNKT-KBPBESRZSA-N 1 2 357.370 1.805 10 5 FDBELO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000032650167 519521941 /nfs/dbraw/zinc/52/19/41/519521941.db2.gz PSNWUPMKGBDDTG-CYBMUJFWSA-N 1 2 359.386 1.231 10 5 FDBELO C[N@@H+]1CCO[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051469973 523031113 /nfs/dbraw/zinc/03/11/13/523031113.db2.gz MTFBCQDIHGFKBE-CYBMUJFWSA-N 1 2 362.411 1.779 10 5 FDBELO C[N@H+]1CCO[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051469973 523031122 /nfs/dbraw/zinc/03/11/22/523031122.db2.gz MTFBCQDIHGFKBE-CYBMUJFWSA-N 1 2 362.411 1.779 10 5 FDBELO CC[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000154012514 525392932 /nfs/dbraw/zinc/39/29/32/525392932.db2.gz KCXHRVRXIMIBDG-HNNXBMFYSA-N 1 2 371.459 1.467 10 5 FDBELO CC[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000154012514 525392940 /nfs/dbraw/zinc/39/29/40/525392940.db2.gz KCXHRVRXIMIBDG-HNNXBMFYSA-N 1 2 371.459 1.467 10 5 FDBELO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000182074183 526043928 /nfs/dbraw/zinc/04/39/28/526043928.db2.gz RLVUTANSJUHFOJ-LBPRGKRZSA-N 1 2 351.403 1.465 10 5 FDBELO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000109656993 526155906 /nfs/dbraw/zinc/15/59/06/526155906.db2.gz LVBQCQFAENSEBE-UHFFFAOYSA-N 1 2 357.414 1.985 10 5 FDBELO Cc1ccc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000109656993 526155917 /nfs/dbraw/zinc/15/59/17/526155917.db2.gz LVBQCQFAENSEBE-UHFFFAOYSA-N 1 2 357.414 1.985 10 5 FDBELO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)n1 ZINC000191829771 537213288 /nfs/dbraw/zinc/21/32/88/537213288.db2.gz UWSMJIMAPZPLHE-NSHDSACASA-N 1 2 374.405 1.042 10 5 FDBELO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)n1 ZINC000191829771 537213289 /nfs/dbraw/zinc/21/32/89/537213289.db2.gz UWSMJIMAPZPLHE-NSHDSACASA-N 1 2 374.405 1.042 10 5 FDBELO C[N@@H+]1CCO[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000194750336 178224318 /nfs/dbraw/zinc/22/43/18/178224318.db2.gz INTYDBAMEVTWLF-HNNXBMFYSA-N 1 2 362.430 1.258 10 5 FDBELO C[N@H+]1CCO[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000194750336 178224321 /nfs/dbraw/zinc/22/43/21/178224321.db2.gz INTYDBAMEVTWLF-HNNXBMFYSA-N 1 2 362.430 1.258 10 5 FDBELO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172750528 258283620 /nfs/dbraw/zinc/28/36/20/258283620.db2.gz CHSUYGMVODKOLO-MRXNPFEDSA-N 1 2 371.397 1.327 10 5 FDBELO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2C[NH+]3CCN2CC3)cc1Cl ZINC000301774012 259033019 /nfs/dbraw/zinc/03/30/19/259033019.db2.gz 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Cc1nnc([C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)[nH]1 ZINC000173679788 258307557 /nfs/dbraw/zinc/30/75/57/258307557.db2.gz UQUKYWSRMYDNKA-OAHLLOKOSA-N 1 2 374.401 1.732 10 5 FDBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000173958727 258315497 /nfs/dbraw/zinc/31/54/97/258315497.db2.gz NCWCUCYUPOXJJU-SUMWQHHRSA-N 1 2 362.430 1.454 10 5 FDBELO Cc1nn(C)c(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000301619810 259030728 /nfs/dbraw/zinc/03/07/28/259030728.db2.gz DNTGLNOXDKYKIJ-JKSUJKDBSA-N 1 2 357.414 1.726 10 5 FDBELO Cc1nn(C)c(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000301619810 259030729 /nfs/dbraw/zinc/03/07/29/259030729.db2.gz DNTGLNOXDKYKIJ-JKSUJKDBSA-N 1 2 357.414 1.726 10 5 FDBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000056058448 521771308 /nfs/dbraw/zinc/77/13/08/521771308.db2.gz VXNGFMXTUPCVHC-CYBMUJFWSA-N 1 2 355.416 1.462 10 5 FDBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000056058448 521771316 /nfs/dbraw/zinc/77/13/16/521771316.db2.gz VXNGFMXTUPCVHC-CYBMUJFWSA-N 1 2 355.416 1.462 10 5 FDBELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173985017 524496286 /nfs/dbraw/zinc/49/62/86/524496286.db2.gz JXLHJQOFOLVGNT-CYBMUJFWSA-N 1 2 368.821 1.593 10 5 FDBELO O=C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173985017 524496293 /nfs/dbraw/zinc/49/62/93/524496293.db2.gz JXLHJQOFOLVGNT-CYBMUJFWSA-N 1 2 368.821 1.593 10 5 FDBELO O=C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173985017 524496296 /nfs/dbraw/zinc/49/62/96/524496296.db2.gz JXLHJQOFOLVGNT-CYBMUJFWSA-N 1 2 368.821 1.593 10 5 FDBELO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000154512012 525557733 /nfs/dbraw/zinc/55/77/33/525557733.db2.gz RTZDJLJWGUUKPD-CYBMUJFWSA-N 1 2 356.382 1.690 10 5 FDBELO CN(c1cccnn1)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000106085573 525570543 /nfs/dbraw/zinc/57/05/43/525570543.db2.gz LRHYAQKHJRWGCZ-UHFFFAOYSA-N 1 2 370.413 1.924 10 5 FDBELO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000106219215 525678414 /nfs/dbraw/zinc/67/84/14/525678414.db2.gz IXEUFGXJHILQNE-CYBMUJFWSA-N 1 2 374.401 1.861 10 5 FDBELO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000106219215 525678420 /nfs/dbraw/zinc/67/84/20/525678420.db2.gz IXEUFGXJHILQNE-CYBMUJFWSA-N 1 2 374.401 1.861 10 5 FDBELO C[C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000119276462 525692618 /nfs/dbraw/zinc/69/26/18/525692618.db2.gz REEFUSLDPVPNJX-OAHLLOKOSA-N 1 2 364.446 1.937 10 5 FDBELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cn1 ZINC000109659016 526156393 /nfs/dbraw/zinc/15/63/93/526156393.db2.gz PMFPNWOORVPWSJ-UHFFFAOYSA-N 1 2 361.377 1.816 10 5 FDBELO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cn1 ZINC000109659016 526156403 /nfs/dbraw/zinc/15/64/03/526156403.db2.gz PMFPNWOORVPWSJ-UHFFFAOYSA-N 1 2 361.377 1.816 10 5 FDBELO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000184381339 536142110 /nfs/dbraw/zinc/14/21/10/536142110.db2.gz GQKFSMKPDUQAQO-GOSISDBHSA-N 1 2 370.409 1.668 10 5 FDBELO CNS(=O)(=O)c1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267363552 536970143 /nfs/dbraw/zinc/97/01/43/536970143.db2.gz ILVYQYMTTKNGTB-GFCCVEGCSA-N 1 2 365.415 1.368 10 5 FDBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248438820 537182626 /nfs/dbraw/zinc/18/26/26/537182626.db2.gz CASUTBAEGHUFPB-WMLDXEAASA-N 1 2 368.455 1.996 10 5 FDBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248438820 537182629 /nfs/dbraw/zinc/18/26/29/537182629.db2.gz CASUTBAEGHUFPB-WMLDXEAASA-N 1 2 368.455 1.996 10 5 FDBELO C[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+]1CCOCC1 ZINC000163440034 173792358 /nfs/dbraw/zinc/79/23/58/173792358.db2.gz ATTIZWFTKWAACG-CQSZACIVSA-N 1 2 362.430 1.990 10 5 FDBELO 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