smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]3O2)n1 ZINC001164656958 719298590 /nfs/dbraw/zinc/29/85/90/719298590.db2.gz ZUDFDLARFDVTSY-DLOVCJGASA-N 0 0 415.784 3.236 20 5 HGBDRN CC(C)Oc1nc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)ccc1[N+](=O)[O-] ZINC001164652095 719315852 /nfs/dbraw/zinc/31/58/52/719315852.db2.gz NQXUZLSXMKCNIO-UHFFFAOYSA-N 0 0 402.499 3.179 20 5 HGBDRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164693681 719790551 /nfs/dbraw/zinc/79/05/51/719790551.db2.gz CSVTUNUMMJUGTB-UHFFFAOYSA-N 0 0 413.812 3.371 20 5 HGBDRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164820634 720277935 /nfs/dbraw/zinc/27/79/35/720277935.db2.gz WQHCYTMDTJBCJW-QGZVFWFLSA-N 0 0 414.840 3.417 20 5 HGBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)cnc1Cl ZINC001164781674 721391681 /nfs/dbraw/zinc/39/16/81/721391681.db2.gz CRQYFTSAAMSKMR-QWRGUYRKSA-N 0 0 415.853 3.213 20 5 HGBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC001164787622 721403569 /nfs/dbraw/zinc/40/35/69/721403569.db2.gz QEXAFZQZBLBMIF-QWRGUYRKSA-N 0 0 415.853 3.213 20 5 HGBDRN O=[N+]([O-])c1ccc(-c2ccc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)nn2)cc1 ZINC001164783912 721424937 /nfs/dbraw/zinc/42/49/37/721424937.db2.gz JZKARLDBLBZGJO-HZPDHXFCSA-N 0 0 408.487 3.077 20 5 HGBDRN Cc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164808384 721543240 /nfs/dbraw/zinc/54/32/40/721543240.db2.gz RUIIIODFBHBFRD-TXPKVOOTSA-N 0 0 417.897 3.215 20 5 HGBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164803667 721549104 /nfs/dbraw/zinc/54/91/04/721549104.db2.gz IQAGLVPLVNTQDZ-NNWRFLSQSA-N 0 0 419.485 3.406 20 5 HGBDRN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]12 ZINC001164799661 721573213 /nfs/dbraw/zinc/57/32/13/721573213.db2.gz DBHUMLGLOQJMQL-BHDDXSALSA-N 0 0 419.485 3.406 20 5 HGBDRN Cc1cnc2n1CCN(C)C21CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001164916138 721814125 /nfs/dbraw/zinc/81/41/25/721814125.db2.gz AMJVZUBZSYHVCV-UHFFFAOYSA-N 0 0 411.293 3.243 20 5 HGBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC001164946572 721939976 /nfs/dbraw/zinc/93/99/76/721939976.db2.gz ZPMYEHHRAVYPMX-SFTDATJTSA-N 0 0 423.473 3.146 20 5 HGBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN(CCOc3ccccc3)CC2)c1 ZINC001165045640 721955282 /nfs/dbraw/zinc/95/52/82/721955282.db2.gz ZACDSKREFJGRHH-UHFFFAOYSA-N 0 0 412.824 3.389 20 5 HGBDRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1=O ZINC001164975301 722161163 /nfs/dbraw/zinc/16/11/63/722161163.db2.gz RSWKMYHTGJSEKM-QGZVFWFLSA-N 0 0 408.792 3.313 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4cc([N+](=O)[O-])cc(Cl)n4)CC[C@H]32)cs1 ZINC001164988385 722174634 /nfs/dbraw/zinc/17/46/34/722174634.db2.gz QJMOMYVVRVINEA-CVEARBPZSA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc([N+](=O)[O-])cc4Cl)CC[C@@H]32)cs1 ZINC001164988021 722174949 /nfs/dbraw/zinc/17/49/49/722174949.db2.gz QGXQEUPQADKJOB-IRXDYDNUSA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(Cl)cc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164983668 722175204 /nfs/dbraw/zinc/17/52/04/722175204.db2.gz CBZBFFVVLVKJPV-NVXWUHKLSA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(Cl)ncc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164987503 722177566 /nfs/dbraw/zinc/17/75/66/722177566.db2.gz NXCUZDLFYGKAMU-RHSMWYFYSA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C(=O)[O-])n1 ZINC000426742643 1126085896 /nfs/dbraw/zinc/08/58/96/1126085896.db2.gz KSPYFIHYTKDVTN-MRXNPFEDSA-N 0 0 400.460 3.380 20 5 HGBDRN O=[N+]([O-])c1ccccc1-c1nnc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)o1 ZINC001473752120 1126199215 /nfs/dbraw/zinc/19/92/15/1126199215.db2.gz ZXEQAVLNECVTEC-WMLDXEAASA-N 0 0 422.363 3.269 20 5 HGBDRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164820632 720277323 /nfs/dbraw/zinc/27/73/23/720277323.db2.gz WQHCYTMDTJBCJW-KRWDZBQOSA-N 0 0 414.840 3.417 20 5 HGBDRN COCCN1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)Cc2cccnc21 ZINC001164888161 721368253 /nfs/dbraw/zinc/36/82/53/721368253.db2.gz VTYFWPALLHLCOT-UHFFFAOYSA-N 0 0 413.812 3.056 20 5 HGBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)cnc1Cl ZINC001164781672 721391279 /nfs/dbraw/zinc/39/12/79/721391279.db2.gz CRQYFTSAAMSKMR-PHIMTYICSA-N 0 0 415.853 3.213 20 5 HGBDRN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC001164786527 721438229 /nfs/dbraw/zinc/43/82/29/721438229.db2.gz VHORKLFBEKAEOU-RYUDHWBXSA-N 0 0 416.894 3.216 20 5 HGBDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@H]21 ZINC001164889073 721463120 /nfs/dbraw/zinc/46/31/20/721463120.db2.gz HMRGULQCQNQZMI-VXGBXAGGSA-N 0 0 402.829 3.271 20 5 HGBDRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)Cc2cnn(C)c21 ZINC001164793056 721475862 /nfs/dbraw/zinc/47/58/62/721475862.db2.gz RFLKTKVDJDTVJL-LLVKDONJSA-N 0 0 401.801 3.062 20 5 HGBDRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C2)C1=O ZINC001164983255 722161975 /nfs/dbraw/zinc/16/19/75/722161975.db2.gz ZWEZXRXDDNQERR-KRWDZBQOSA-N 0 0 408.792 3.313 20 5 HGBDRN COc1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426763118 1126088970 /nfs/dbraw/zinc/08/89/70/1126088970.db2.gz QBGGPQGUSWHTDP-AWEZNQCLSA-N 0 0 409.236 3.151 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000426744365 1126086100 /nfs/dbraw/zinc/08/61/00/1126086100.db2.gz WWCQFNGAWXFBMM-HXUWFJFHSA-N 0 0 405.414 3.047 20 5 HGBDRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426754184 1126087653 /nfs/dbraw/zinc/08/76/53/1126087653.db2.gz OICBXOWBGSLRGQ-AWEZNQCLSA-N 0 0 424.335 3.313 20 5 HGBDRN O=[N+]([O-])c1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000609707776 1126100814 /nfs/dbraw/zinc/10/08/14/1126100814.db2.gz YBTVIPWOVAVFJC-SJLPKXTDSA-N 0 0 412.364 3.085 20 5 HGBDRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@H]3O2)n1 ZINC001164656446 719297704 /nfs/dbraw/zinc/29/77/04/719297704.db2.gz XJTUEIFPQXAWSV-JIMOISOXSA-N 0 0 415.784 3.236 20 5 HGBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2ccc3cccnc3c2n1 ZINC001164705236 719846745 /nfs/dbraw/zinc/84/67/45/719846745.db2.gz TUWXHSMFLIXKQX-NTKDMRAZSA-N 0 0 420.513 3.016 20 5 HGBDRN Cc1cc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164783461 721429962 /nfs/dbraw/zinc/42/99/62/721429962.db2.gz IPGRKTAQAXKDHI-IRXDYDNUSA-N 0 0 422.514 3.385 20 5 HGBDRN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1 ZINC001164786538 721438473 /nfs/dbraw/zinc/43/84/73/721438473.db2.gz VHORKLFBEKAEOU-VXGBXAGGSA-N 0 0 416.894 3.216 20 5 HGBDRN CC(C)N(C)Cc1nnc2n1CCCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC001165010560 721721491 /nfs/dbraw/zinc/72/14/91/721721491.db2.gz IWAKTORKIGTZLE-UHFFFAOYSA-N 0 0 421.505 3.499 20 5 HGBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001164941628 721940138 /nfs/dbraw/zinc/94/01/38/721940138.db2.gz IVRWFHVUIMINQM-NHCUHLMSSA-N 0 0 415.497 3.477 20 5 HGBDRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21 ZINC001164961772 722046710 /nfs/dbraw/zinc/04/67/10/722046710.db2.gz ZVJZYEVHFHJLFL-ZYHUDNBSSA-N 0 0 412.780 3.132 20 5 HGBDRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2C1 ZINC001164971433 722084730 /nfs/dbraw/zinc/08/47/30/722084730.db2.gz IAWMBAAOEKGNBG-ZSBIGDGJSA-N 0 0 414.840 3.319 20 5 HGBDRN CC(C)c1ccc(C[NH2+][C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426720495 1126082006 /nfs/dbraw/zinc/08/20/06/1126082006.db2.gz NEERRGLTAJHEMO-CYBMUJFWSA-N 0 0 400.357 3.177 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000426733746 1126084550 /nfs/dbraw/zinc/08/45/50/1126084550.db2.gz ZHFQKLKQAMUPLQ-KRWDZBQOSA-N 0 0 405.357 3.463 20 5 HGBDRN O=[N+]([O-])c1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000609707773 1126100659 /nfs/dbraw/zinc/10/06/59/1126100659.db2.gz YBTVIPWOVAVFJC-AEFFLSMTSA-N 0 0 412.364 3.085 20 5 HGBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164778833 721333453 /nfs/dbraw/zinc/33/34/53/721333453.db2.gz YUGZFONXFDIYHF-OAQYLSRUSA-N 0 0 415.494 3.022 20 5 HGBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164785185 721400242 /nfs/dbraw/zinc/40/02/42/721400242.db2.gz LTMWKKLOKQEYIN-GHMZBOCLSA-N 0 0 415.853 3.213 20 5 HGBDRN O=[N+]([O-])c1ccc2nc(Cl)nc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164784207 721401561 /nfs/dbraw/zinc/40/15/61/721401561.db2.gz JHVHIEHGZGFAMF-RYUDHWBXSA-N 0 0 416.894 3.216 20 5 HGBDRN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164781039 721407210 /nfs/dbraw/zinc/40/72/10/721407210.db2.gz AHSPXLWLIDZCDV-AOOOYVTPSA-N 0 0 400.291 3.321 20 5 HGBDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@H]21 ZINC001164887666 721463502 /nfs/dbraw/zinc/46/35/02/721463502.db2.gz DRXDPXMHUKKADV-BXUZGUMPSA-N 0 0 402.829 3.271 20 5 HGBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164908374 721744563 /nfs/dbraw/zinc/74/45/63/721744563.db2.gz GZOLUUQYBUSBNJ-UHFFFAOYSA-N 0 0 414.853 3.221 20 5 HGBDRN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165023462 721838263 /nfs/dbraw/zinc/83/82/63/721838263.db2.gz YOSNHZLHAPFBQT-UHFFFAOYSA-N 0 0 421.885 3.156 20 5 HGBDRN O=C([O-])[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC001123269529 939818381 /nfs/dbraw/zinc/81/83/81/939818381.db2.gz ZICZQUFPENMFKR-FQEVSTJZSA-N 0 0 417.849 3.097 20 5 HGBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000426793614 1126090896 /nfs/dbraw/zinc/09/08/96/1126090896.db2.gz OHAUZGWYMWAFRC-NRFANRHFSA-N 0 0 407.426 3.354 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000426742254 1126085888 /nfs/dbraw/zinc/08/58/88/1126085888.db2.gz JCJMTHYKGFYSKH-QGZVFWFLSA-N 0 0 405.357 3.463 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000426744364 1126086119 /nfs/dbraw/zinc/08/61/19/1126086119.db2.gz WWCQFNGAWXFBMM-FQEVSTJZSA-N 0 0 405.414 3.047 20 5 HGBDRN COc1c(Br)cccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000426811259 1126091956 /nfs/dbraw/zinc/09/19/56/1126091956.db2.gz SNRMFJOZIJHYQA-AWEZNQCLSA-N 0 0 409.236 3.151 20 5 HGBDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164778831 721332923 /nfs/dbraw/zinc/33/29/23/721332923.db2.gz YUGZFONXFDIYHF-NRFANRHFSA-N 0 0 415.494 3.022 20 5 HGBDRN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164786646 721400782 /nfs/dbraw/zinc/40/07/82/721400782.db2.gz OMBJIZCKDXPTFG-UWVGGRQHSA-N 0 0 400.291 3.321 20 5 HGBDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001164888314 721462337 /nfs/dbraw/zinc/46/23/37/721462337.db2.gz GIYYQCTWWZQFEO-WCQYABFASA-N 0 0 402.829 3.271 20 5 HGBDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@@H]21 ZINC001164889067 721463081 /nfs/dbraw/zinc/46/30/81/721463081.db2.gz HMRGULQCQNQZMI-NEPJUHHUSA-N 0 0 402.829 3.271 20 5 HGBDRN CCOC[C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)Cc2cnn(C)c21 ZINC001164789766 721476664 /nfs/dbraw/zinc/47/66/64/721476664.db2.gz CDOUAQARINPSSD-LLVKDONJSA-N 0 0 401.801 3.062 20 5 HGBDRN COc1nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)ccc1[N+](=O)[O-] ZINC001164908923 721748683 /nfs/dbraw/zinc/74/86/83/721748683.db2.gz OMCHZVJENNAETR-UHFFFAOYSA-N 0 0 409.446 3.181 20 5 HGBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC001164946566 721939886 /nfs/dbraw/zinc/93/98/86/721939886.db2.gz ZPMYEHHRAVYPMX-NHCUHLMSSA-N 0 0 423.473 3.146 20 5 HGBDRN NC(=O)N1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC001165041615 721941656 /nfs/dbraw/zinc/94/16/56/721941656.db2.gz AJACGHJUIJLKGV-UHFFFAOYSA-N 0 0 411.796 3.056 20 5 HGBDRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2C1 ZINC001164971429 722084687 /nfs/dbraw/zinc/08/46/87/722084687.db2.gz IAWMBAAOEKGNBG-RYUDHWBXSA-N 0 0 414.840 3.319 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000426737678 1126085208 /nfs/dbraw/zinc/08/52/08/1126085208.db2.gz PCIRINJJIRSOKS-HXUWFJFHSA-N 0 0 405.414 3.047 20 5 HGBDRN CCn1c(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])nc2ccccc21 ZINC000577574844 1126098160 /nfs/dbraw/zinc/09/81/60/1126098160.db2.gz IZLHBPXGTRNISE-SFHVURJKSA-N 0 0 407.430 3.231 20 5 HGBDRN O=[N+]([O-])c1ccc(-c2noc(CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)n2)cc1 ZINC001308038186 1126162689 /nfs/dbraw/zinc/16/26/89/1126162689.db2.gz IZPNYEIWUKETTH-DOTOQJQBSA-N 0 0 422.363 3.269 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cncc(Br)c1 ZINC001324575745 1126172372 /nfs/dbraw/zinc/17/23/72/1126172372.db2.gz OBXSOCGFBJYIKF-INIZCTEOSA-N 0 0 419.235 3.019 20 5 HGBDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@H]3O2)n1 ZINC001164656447 719297560 /nfs/dbraw/zinc/29/75/60/719297560.db2.gz XJTUEIFPQXAWSV-TVYUQYBPSA-N 0 0 415.784 3.236 20 5 HGBDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]3O2)n1 ZINC001164656960 719298557 /nfs/dbraw/zinc/29/85/57/719298557.db2.gz ZUDFDLARFDVTSY-ZMLRMANQSA-N 0 0 415.784 3.236 20 5 HGBDRN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]12 ZINC001164799659 721573197 /nfs/dbraw/zinc/57/31/97/721573197.db2.gz DBHUMLGLOQJMQL-BDTNDASRSA-N 0 0 419.485 3.406 20 5 HGBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCn3cnc(Cn4cccn4)c3C2)c1 ZINC001164937026 721915243 /nfs/dbraw/zinc/91/52/43/721915243.db2.gz FIDVTQHRGCSYOR-UHFFFAOYSA-N 0 0 423.811 3.040 20 5 HGBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001164941630 721939897 /nfs/dbraw/zinc/93/98/97/721939897.db2.gz IVRWFHVUIMINQM-RTWAWAEBSA-N 0 0 415.497 3.477 20 5 HGBDRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21 ZINC001164961769 722046909 /nfs/dbraw/zinc/04/69/09/722046909.db2.gz ZVJZYEVHFHJLFL-PWSUYJOCSA-N 0 0 412.780 3.132 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nccc(Cl)c4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164984458 722175181 /nfs/dbraw/zinc/17/51/81/722175181.db2.gz DVNADDQXCFELNJ-HZPDHXFCSA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(Cl)cc([N+](=O)[O-])n4)CC[C@H]32)cs1 ZINC001164986205 722179810 /nfs/dbraw/zinc/17/98/10/722179810.db2.gz JDJPTWGQJWBXRS-HZPDHXFCSA-N 0 0 423.926 3.278 20 5 HGBDRN COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164993831 722199448 /nfs/dbraw/zinc/19/94/48/722199448.db2.gz CEOZJDUXTOHTQW-HXUWFJFHSA-N 0 0 401.442 3.086 20 5 HGBDRN COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164993829 722199807 /nfs/dbraw/zinc/19/98/07/722199807.db2.gz CEOZJDUXTOHTQW-FQEVSTJZSA-N 0 0 401.442 3.086 20 5 HGBDRN COc1cc(Br)ccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000426811002 1126091993 /nfs/dbraw/zinc/09/19/93/1126091993.db2.gz RCDFLBVTBCVRTQ-AWEZNQCLSA-N 0 0 409.236 3.151 20 5 HGBDRN Cn1c(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC000426816883 1126092474 /nfs/dbraw/zinc/09/24/74/1126092474.db2.gz MSKYPQZDAMWYCB-AWEZNQCLSA-N 0 0 422.363 3.286 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000581048175 1126098350 /nfs/dbraw/zinc/09/83/50/1126098350.db2.gz PYJOJFUVJGSOHP-FQEVSTJZSA-N 0 0 405.414 3.047 20 5 HGBDRN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001176598534 1126150293 /nfs/dbraw/zinc/15/02/93/1126150293.db2.gz LUYJEESGGFEXDE-LJQANCHMSA-N 0 0 402.838 3.382 20 5 HGBDRN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001473748890 1126198596 /nfs/dbraw/zinc/19/85/96/1126198596.db2.gz BBFCEGZOEVLDNP-DOTOQJQBSA-N 0 0 412.364 3.006 20 5 HGBDRN CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@@H]21 ZINC001164670640 719489505 /nfs/dbraw/zinc/48/95/05/719489505.db2.gz XRBMRJPNQGMWID-DLBZAZTESA-N 0 0 424.835 3.374 20 5 HGBDRN CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]21 ZINC001164670641 719490031 /nfs/dbraw/zinc/49/00/31/719490031.db2.gz XRBMRJPNQGMWID-IAGOWNOFSA-N 0 0 424.835 3.374 20 5 HGBDRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)O2)n1 ZINC001164831711 720403777 /nfs/dbraw/zinc/40/37/77/720403777.db2.gz XOTQRKYJJFWUCY-AGIUHOORSA-N 0 0 415.784 3.379 20 5 HGBDRN Cc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164808381 721543085 /nfs/dbraw/zinc/54/30/85/721543085.db2.gz RUIIIODFBHBFRD-BXWFABGCSA-N 0 0 417.897 3.215 20 5 HGBDRN Cc1cc([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1Cl ZINC001164803076 721544956 /nfs/dbraw/zinc/54/49/56/721544956.db2.gz HWCDWGXWZNRNSH-BPQIPLTHSA-N 0 0 417.897 3.215 20 5 HGBDRN Cc1cnc2n1CCN(C)C21CCN(c2cc(C)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001164917435 721813851 /nfs/dbraw/zinc/81/38/51/721813851.db2.gz MXJDKXSHZHSVPH-UHFFFAOYSA-N 0 0 406.490 3.397 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc([N+](=O)[O-])cc(Cl)n4)CC[C@@H]32)cs1 ZINC001164988388 722174652 /nfs/dbraw/zinc/17/46/52/722174652.db2.gz QJMOMYVVRVINEA-JKSUJKDBSA-N 0 0 423.926 3.278 20 5 HGBDRN CCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1OC ZINC000426730051 1126084121 /nfs/dbraw/zinc/08/41/21/1126084121.db2.gz IZUWWGPHLRDSLU-SFHVURJKSA-N 0 0 413.430 3.269 20 5 HGBDRN COc1ccc(Br)cc1C[NH2+][C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426777570 1126090055 /nfs/dbraw/zinc/09/00/55/1126090055.db2.gz ONRKVVQCSBIZFI-HNNXBMFYSA-N 0 0 409.236 3.151 20 5 HGBDRN COc1cc(Br)ccc1C[NH2+][C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426787192 1126090440 /nfs/dbraw/zinc/09/04/40/1126090440.db2.gz BSDBPOVKIPCYPF-HNNXBMFYSA-N 0 0 409.236 3.151 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(Br)o1 ZINC000426742227 1126085866 /nfs/dbraw/zinc/08/58/66/1126085866.db2.gz IYPOFMXBTDIAOQ-CQSZACIVSA-N 0 0 408.208 3.217 20 5 HGBDRN O=C([O-])[C@@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001116762653 1126145457 /nfs/dbraw/zinc/14/54/57/1126145457.db2.gz CWQNHMBSFDBAER-OAHLLOKOSA-N 0 0 406.851 3.416 20 5 HGBDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@@H]3O2)n1 ZINC001164656448 719297761 /nfs/dbraw/zinc/29/77/61/719297761.db2.gz XJTUEIFPQXAWSV-XDTLVQLUSA-N 0 0 415.784 3.236 20 5 HGBDRN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164786643 721401122 /nfs/dbraw/zinc/40/11/22/721401122.db2.gz OMBJIZCKDXPTFG-NXEZZACHSA-N 0 0 400.291 3.321 20 5 HGBDRN O=[N+]([O-])c1ccccc1-c1ccc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)nn1 ZINC001164788851 721430515 /nfs/dbraw/zinc/43/05/15/721430515.db2.gz TUWNMTVCLMYMHA-GJZGRUSLSA-N 0 0 408.487 3.077 20 5 HGBDRN CCOC[C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)Cc2cnn(C)c21 ZINC001164792360 721476288 /nfs/dbraw/zinc/47/62/88/721476288.db2.gz MTGWLDCGKXVGKV-LLVKDONJSA-N 0 0 401.801 3.062 20 5 HGBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCN(CCOc3ccccc3)CC2)cnc1Cl ZINC001165042381 721952909 /nfs/dbraw/zinc/95/29/09/721952909.db2.gz MJOQAOOLSNMLRL-UHFFFAOYSA-N 0 0 412.824 3.389 20 5 HGBDRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1=O ZINC001164977667 722161873 /nfs/dbraw/zinc/16/18/73/722161873.db2.gz GLGPQQIVGKZZGR-KRWDZBQOSA-N 0 0 408.792 3.313 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc([N+](=O)[O-])c(C)c4C)CC[C@@H]32)cs1 ZINC001164985152 722183323 /nfs/dbraw/zinc/18/33/23/722183323.db2.gz ANFHVJATWSFPKU-HKUYNNGSSA-N 0 0 417.535 3.241 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)cc(C)c4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164989988 722183353 /nfs/dbraw/zinc/18/33/53/722183353.db2.gz NBQCGCIPHYBEIA-ROUUACIJSA-N 0 0 417.535 3.241 20 5 HGBDRN O=[N+]([O-])c1cnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164994841 722196223 /nfs/dbraw/zinc/19/62/23/722196223.db2.gz QANUOXCIJVSXRY-LJQANCHMSA-N 0 0 401.398 3.282 20 5 HGBDRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000426718627 1126081722 /nfs/dbraw/zinc/08/17/22/1126081722.db2.gz BPZPHUQOOJGBNG-LJQANCHMSA-N 0 0 423.473 3.419 20 5 HGBDRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)[O-])n1 ZINC000426731778 1126084306 /nfs/dbraw/zinc/08/43/06/1126084306.db2.gz GQBKLNOPODGBMB-QGZVFWFLSA-N 0 0 400.460 3.380 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000426732784 1126084487 /nfs/dbraw/zinc/08/44/87/1126084487.db2.gz VLQIGLQYEDVLDD-GOSISDBHSA-N 0 0 415.833 3.450 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000426736760 1126084910 /nfs/dbraw/zinc/08/49/10/1126084910.db2.gz ZAEYMRDBHZKLGQ-FQEVSTJZSA-N 0 0 405.414 3.252 20 5 HGBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000426774177 1126089641 /nfs/dbraw/zinc/08/96/41/1126089641.db2.gz STSUKLLUVDEISV-INIZCTEOSA-N 0 0 406.822 3.195 20 5 HGBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000426812094 1126092162 /nfs/dbraw/zinc/09/21/62/1126092162.db2.gz WTIUYIIIDBBEMQ-HNNXBMFYSA-N 0 0 406.822 3.195 20 5 HGBDRN O=[N+]([O-])c1ccc(-c2noc(CN[C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)n2)cc1 ZINC001308038189 1126162698 /nfs/dbraw/zinc/16/26/98/1126162698.db2.gz IZPNYEIWUKETTH-WBVHZDCISA-N 0 0 422.363 3.269 20 5 HGBDRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]3O2)n1 ZINC001164656959 719298398 /nfs/dbraw/zinc/29/83/98/719298398.db2.gz ZUDFDLARFDVTSY-USWWRNFRSA-N 0 0 415.784 3.236 20 5 HGBDRN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164696138 719888067 /nfs/dbraw/zinc/88/80/67/719888067.db2.gz ZDGKYFOQPCJXMD-UHFFFAOYSA-N 0 0 423.926 3.280 20 5 HGBDRN O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cnc1Cl ZINC001164727289 720335149 /nfs/dbraw/zinc/33/51/49/720335149.db2.gz SRQRSSZVSICDAA-CABCVRRESA-N 0 0 409.824 3.436 20 5 HGBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1Cl ZINC001164730366 720355128 /nfs/dbraw/zinc/35/51/28/720355128.db2.gz ZDLKFWBFWGOGED-KGLIPLIRSA-N 0 0 409.824 3.436 20 5 HGBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)nc1Cl ZINC001164785188 721400107 /nfs/dbraw/zinc/40/01/07/721400107.db2.gz LTMWKKLOKQEYIN-QWRGUYRKSA-N 0 0 415.853 3.213 20 5 HGBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCCn3cnc(Cn4cccn4)c3C2)nc1Cl ZINC001164938143 721915189 /nfs/dbraw/zinc/91/51/89/721915189.db2.gz XJJOKVKPPZLJCY-UHFFFAOYSA-N 0 0 423.811 3.040 20 5 HGBDRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]2C1 ZINC001164970699 722084782 /nfs/dbraw/zinc/08/47/82/722084782.db2.gz FYTIHGHMPMRZPO-RYUDHWBXSA-N 0 0 414.840 3.319 20 5 HGBDRN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164996686 722200748 /nfs/dbraw/zinc/20/07/48/722200748.db2.gz VMBSNTVNZGJYSC-IBGZPJMESA-N 0 0 406.845 3.266 20 5 HGBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164727782 720363724 /nfs/dbraw/zinc/36/37/24/720363724.db2.gz RJYXQDKVMVYOIH-JKSUJKDBSA-N 0 0 409.824 3.436 20 5 HGBDRN CCOC[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)Cc2cnn(C)c21 ZINC001164792361 721476389 /nfs/dbraw/zinc/47/63/89/721476389.db2.gz MTGWLDCGKXVGKV-NSHDSACASA-N 0 0 401.801 3.062 20 5 HGBDRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001165010978 721724910 /nfs/dbraw/zinc/72/49/10/721724910.db2.gz LRDIVOLZJUROJB-MRXNPFEDSA-N 0 0 402.829 3.415 20 5 HGBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001164941624 721939952 /nfs/dbraw/zinc/93/99/52/721939952.db2.gz IVRWFHVUIMINQM-LEWJYISDSA-N 0 0 415.497 3.477 20 5 HGBDRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426771869 1126089675 /nfs/dbraw/zinc/08/96/75/1126089675.db2.gz GSTNRMWOVLWYJA-MRXNPFEDSA-N 0 0 410.382 3.369 20 5 HGBDRN COc1c(Br)cccc1C[NH2+][C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426793251 1126090904 /nfs/dbraw/zinc/09/09/04/1126090904.db2.gz MQGRPLCOMQIILS-HNNXBMFYSA-N 0 0 409.236 3.151 20 5 HGBDRN O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000609707775 1126100853 /nfs/dbraw/zinc/10/08/53/1126100853.db2.gz YBTVIPWOVAVFJC-FUHWJXTLSA-N 0 0 412.364 3.085 20 5 HGBDRN O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164673159 719497517 /nfs/dbraw/zinc/49/75/17/719497517.db2.gz OQHZIYNVZUBEKZ-UHFFFAOYSA-N 0 0 404.417 3.139 20 5 HGBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1Cl ZINC001164730369 720354128 /nfs/dbraw/zinc/35/41/28/720354128.db2.gz ZDLKFWBFWGOGED-UONOGXRCSA-N 0 0 409.824 3.436 20 5 HGBDRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)O2)n1 ZINC001164826031 720402448 /nfs/dbraw/zinc/40/24/48/720402448.db2.gz AZAJDZYWTSCGEH-DLOVCJGASA-N 0 0 415.784 3.379 20 5 HGBDRN O=[N+]([O-])c1ccc2nc(Cl)nc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164784231 721401675 /nfs/dbraw/zinc/40/16/75/721401675.db2.gz JHVHIEHGZGFAMF-VXGBXAGGSA-N 0 0 416.894 3.216 20 5 HGBDRN Cc1ccc(-c2ccc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164784011 721420354 /nfs/dbraw/zinc/42/03/54/721420354.db2.gz JTYSLLSPYZLXIO-IRXDYDNUSA-N 0 0 422.514 3.385 20 5 HGBDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@H]21 ZINC001164888164 721463486 /nfs/dbraw/zinc/46/34/86/721463486.db2.gz DRXDPXMHUKKADV-SMDDNHRTSA-N 0 0 402.829 3.271 20 5 HGBDRN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164801591 721546060 /nfs/dbraw/zinc/54/60/60/721546060.db2.gz FUFYHRYNALGTQI-JENIJYKNSA-N 0 0 417.897 3.215 20 5 HGBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164803664 721548899 /nfs/dbraw/zinc/54/88/99/721548899.db2.gz IQAGLVPLVNTQDZ-CEMLEFRQSA-N 0 0 419.485 3.406 20 5 HGBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164803666 721549599 /nfs/dbraw/zinc/54/95/99/721549599.db2.gz IQAGLVPLVNTQDZ-KSEOMHKRSA-N 0 0 419.485 3.406 20 5 HGBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC001164946562 721940056 /nfs/dbraw/zinc/94/00/56/721940056.db2.gz ZPMYEHHRAVYPMX-LEWJYISDSA-N 0 0 423.473 3.146 20 5 HGBDRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21 ZINC001164959200 722046714 /nfs/dbraw/zinc/04/67/14/722046714.db2.gz PYSIQAXTAOTUQN-GWCFXTLKSA-N 0 0 412.780 3.132 20 5 HGBDRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001164969739 722084352 /nfs/dbraw/zinc/08/43/52/722084352.db2.gz ROIHPMLTGWUIRY-RYUDHWBXSA-N 0 0 414.840 3.319 20 5 HGBDRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2C1 ZINC001164970701 722084961 /nfs/dbraw/zinc/08/49/61/722084961.db2.gz FYTIHGHMPMRZPO-ZSBIGDGJSA-N 0 0 414.840 3.319 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(Cl)cc([N+](=O)[O-])n4)CC[C@H]32)cs1 ZINC001164986198 722179805 /nfs/dbraw/zinc/17/98/05/722179805.db2.gz JDJPTWGQJWBXRS-CVEARBPZSA-N 0 0 423.926 3.278 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000426719414 1126082004 /nfs/dbraw/zinc/08/20/04/1126082004.db2.gz GIHVEEVYFUPPJA-IBGZPJMESA-N 0 0 406.398 3.115 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000426737677 1126085205 /nfs/dbraw/zinc/08/52/05/1126085205.db2.gz PCIRINJJIRSOKS-FQEVSTJZSA-N 0 0 405.414 3.047 20 5 HGBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000426806562 1126091481 /nfs/dbraw/zinc/09/14/81/1126091481.db2.gz CHEMEQWPQOPKCL-HNNXBMFYSA-N 0 0 421.247 3.078 20 5 HGBDRN COc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1Br ZINC000426807799 1126091721 /nfs/dbraw/zinc/09/17/21/1126091721.db2.gz PIHQDVWEDYRYBF-AWEZNQCLSA-N 0 0 409.236 3.151 20 5 HGBDRN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001176598521 1126150305 /nfs/dbraw/zinc/15/03/05/1126150305.db2.gz LUYJEESGGFEXDE-IBGZPJMESA-N 0 0 402.838 3.382 20 5 HGBDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]3O2)n1 ZINC001164656967 719298519 /nfs/dbraw/zinc/29/85/19/719298519.db2.gz ZUZWYUWKIBOGKH-TVYUQYBPSA-N 0 0 415.784 3.236 20 5 HGBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164727778 720363900 /nfs/dbraw/zinc/36/39/00/720363900.db2.gz RJYXQDKVMVYOIH-HZPDHXFCSA-N 0 0 409.824 3.436 20 5 HGBDRN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164781041 721407057 /nfs/dbraw/zinc/40/70/57/721407057.db2.gz AHSPXLWLIDZCDV-UWVGGRQHSA-N 0 0 400.291 3.321 20 5 HGBDRN O=[N+]([O-])c1ccccc1-c1ccc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)nn1 ZINC001164788854 721430832 /nfs/dbraw/zinc/43/08/32/721430832.db2.gz TUWNMTVCLMYMHA-HUUCEWRRSA-N 0 0 408.487 3.077 20 5 HGBDRN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164801589 721545759 /nfs/dbraw/zinc/54/57/59/721545759.db2.gz FUFYHRYNALGTQI-AOIWGVFYSA-N 0 0 417.897 3.215 20 5 HGBDRN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164801592 721546132 /nfs/dbraw/zinc/54/61/32/721546132.db2.gz FUFYHRYNALGTQI-LNLFQRSKSA-N 0 0 417.897 3.215 20 5 HGBDRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001165011285 721724354 /nfs/dbraw/zinc/72/43/54/721724354.db2.gz OMAJNTZWROEWCW-MRXNPFEDSA-N 0 0 402.829 3.415 20 5 HGBDRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001165010976 721724732 /nfs/dbraw/zinc/72/47/32/721724732.db2.gz LRDIVOLZJUROJB-INIZCTEOSA-N 0 0 402.829 3.415 20 5 HGBDRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21 ZINC001164961767 722046836 /nfs/dbraw/zinc/04/68/36/722046836.db2.gz ZVJZYEVHFHJLFL-JQWIXIFHSA-N 0 0 412.780 3.132 20 5 HGBDRN Cc1cnn(C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000426720972 1126082235 /nfs/dbraw/zinc/08/22/35/1126082235.db2.gz QEWNNQABROORIX-QGZVFWFLSA-N 0 0 414.393 3.274 20 5 HGBDRN Cc1cnn(C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000426757135 1126088208 /nfs/dbraw/zinc/08/82/08/1126088208.db2.gz BNXVNAWUJSRDLE-GOSISDBHSA-N 0 0 409.446 3.111 20 5 HGBDRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426750240 1126086943 /nfs/dbraw/zinc/08/69/43/1126086943.db2.gz MDEQOTPZKRYUBW-AWEZNQCLSA-N 0 0 424.335 3.313 20 5 HGBDRN Cc1nc(Cl)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164704352 719886842 /nfs/dbraw/zinc/88/68/42/719886842.db2.gz VUIKUGVFEZMODH-UHFFFAOYSA-N 0 0 423.926 3.280 20 5 HGBDRN COc1cc(C)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164696146 719891343 /nfs/dbraw/zinc/89/13/43/719891343.db2.gz ZPSYXSFCIRAMGV-UHFFFAOYSA-N 0 0 418.519 3.240 20 5 HGBDRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164818989 720275833 /nfs/dbraw/zinc/27/58/33/720275833.db2.gz OGUVUSJVJSNLRZ-QGZVFWFLSA-N 0 0 414.840 3.417 20 5 HGBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1 ZINC001164787618 721402939 /nfs/dbraw/zinc/40/29/39/721402939.db2.gz QEXAFZQZBLBMIF-GHMZBOCLSA-N 0 0 415.853 3.213 20 5 HGBDRN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164781040 721407384 /nfs/dbraw/zinc/40/73/84/721407384.db2.gz AHSPXLWLIDZCDV-NXEZZACHSA-N 0 0 400.291 3.321 20 5 HGBDRN Cc1cc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164783449 721429745 /nfs/dbraw/zinc/42/97/45/721429745.db2.gz IPGRKTAQAXKDHI-CALCHBBNSA-N 0 0 422.514 3.385 20 5 HGBDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001164888311 721462365 /nfs/dbraw/zinc/46/23/65/721462365.db2.gz GIYYQCTWWZQFEO-AAEUAGOBSA-N 0 0 402.829 3.271 20 5 HGBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCN(CCOc3ccccc3)CC2)nc1Cl ZINC001165043784 721954099 /nfs/dbraw/zinc/95/40/99/721954099.db2.gz AZEWIZHOBVTXAH-UHFFFAOYSA-N 0 0 412.824 3.389 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)cc(C)c4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164989987 722183220 /nfs/dbraw/zinc/18/32/20/722183220.db2.gz NBQCGCIPHYBEIA-QZTJIDSGSA-N 0 0 417.535 3.241 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc([N+](=O)[O-])c(C)c4C)CC[C@H]32)cs1 ZINC001164985156 722183371 /nfs/dbraw/zinc/18/33/71/722183371.db2.gz ANFHVJATWSFPKU-IEBWSBKVSA-N 0 0 417.535 3.241 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000426725079 1126083094 /nfs/dbraw/zinc/08/30/94/1126083094.db2.gz XPHOOCFRLWYCNL-OAQYLSRUSA-N 0 0 419.441 3.106 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000426733747 1126084527 /nfs/dbraw/zinc/08/45/27/1126084527.db2.gz ZHFQKLKQAMUPLQ-QGZVFWFLSA-N 0 0 405.357 3.463 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000426736761 1126084860 /nfs/dbraw/zinc/08/48/60/1126084860.db2.gz ZAEYMRDBHZKLGQ-HXUWFJFHSA-N 0 0 405.414 3.252 20 5 HGBDRN COc1cc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001164671180 719503885 /nfs/dbraw/zinc/50/38/85/719503885.db2.gz CLPZGFGQFDOKGI-UHFFFAOYSA-N 0 0 416.453 3.009 20 5 HGBDRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164817311 720278569 /nfs/dbraw/zinc/27/85/69/720278569.db2.gz CLOPZOJFUVHWSC-KRWDZBQOSA-N 0 0 414.840 3.417 20 5 HGBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1Cl ZINC001164730372 720354848 /nfs/dbraw/zinc/35/48/48/720354848.db2.gz ZDLKFWBFWGOGED-ZIAGYGMSSA-N 0 0 409.824 3.436 20 5 HGBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164727777 720365113 /nfs/dbraw/zinc/36/51/13/720365113.db2.gz RJYXQDKVMVYOIH-HOTGVXAUSA-N 0 0 409.824 3.436 20 5 HGBDRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)O2)n1 ZINC001164826040 720402923 /nfs/dbraw/zinc/40/29/23/720402923.db2.gz AZAJDZYWTSCGEH-WCQGTBRESA-N 0 0 415.784 3.379 20 5 HGBDRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)O2)n1 ZINC001164826034 720403213 /nfs/dbraw/zinc/40/32/13/720403213.db2.gz AZAJDZYWTSCGEH-JLLWLGSASA-N 0 0 415.784 3.379 20 5 HGBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)cnc1Cl ZINC001164781666 721391192 /nfs/dbraw/zinc/39/11/92/721391192.db2.gz CRQYFTSAAMSKMR-GHMZBOCLSA-N 0 0 415.853 3.213 20 5 HGBDRN CCOC[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)Cc2cnn(C)c21 ZINC001164793057 721476030 /nfs/dbraw/zinc/47/60/30/721476030.db2.gz RFLKTKVDJDTVJL-NSHDSACASA-N 0 0 401.801 3.062 20 5 HGBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC3(C2)OCCO3)c(Cl)nn1 ZINC001165049279 721986053 /nfs/dbraw/zinc/98/60/53/721986053.db2.gz VKHKBBBQWIVLRR-UHFFFAOYSA-N 0 0 412.780 3.203 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000426725078 1126083098 /nfs/dbraw/zinc/08/30/98/1126083098.db2.gz XPHOOCFRLWYCNL-NRFANRHFSA-N 0 0 419.441 3.106 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000426732785 1126084565 /nfs/dbraw/zinc/08/45/65/1126084565.db2.gz VLQIGLQYEDVLDD-SFHVURJKSA-N 0 0 415.833 3.450 20 5 HGBDRN COc1cc(C[NH2+][C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c(SC)cc1OC ZINC000426766722 1126089248 /nfs/dbraw/zinc/08/92/48/1126089248.db2.gz GOYOGRNFPKRALD-HNNXBMFYSA-N 0 0 406.460 3.119 20 5 HGBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000426779375 1126090177 /nfs/dbraw/zinc/09/01/77/1126090177.db2.gz HAGDFRLDOLMZAP-SFHVURJKSA-N 0 0 400.822 3.219 20 5 HGBDRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426750241 1126086985 /nfs/dbraw/zinc/08/69/85/1126086985.db2.gz MDEQOTPZKRYUBW-CQSZACIVSA-N 0 0 424.335 3.313 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC001320748419 1126169702 /nfs/dbraw/zinc/16/97/02/1126169702.db2.gz DZQQEKRUPNHPSJ-SFHVURJKSA-N 0 0 423.454 3.380 20 5 HGBDRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164695612 719788827 /nfs/dbraw/zinc/78/88/27/719788827.db2.gz NLHJCGBQMXTHHB-UHFFFAOYSA-N 0 0 413.812 3.371 20 5 HGBDRN O=[N+]([O-])c1ccc2nc(Cl)nc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164784222 721401631 /nfs/dbraw/zinc/40/16/31/721401631.db2.gz JHVHIEHGZGFAMF-TXEJJXNPSA-N 0 0 416.894 3.216 20 5 HGBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC001164787619 721403409 /nfs/dbraw/zinc/40/34/09/721403409.db2.gz QEXAFZQZBLBMIF-PHIMTYICSA-N 0 0 415.853 3.213 20 5 HGBDRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001165008798 721724774 /nfs/dbraw/zinc/72/47/74/721724774.db2.gz RBWXYBMPERBCFE-MRXNPFEDSA-N 0 0 402.829 3.415 20 5 HGBDRN COc1cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-] ZINC001164910015 721752659 /nfs/dbraw/zinc/75/26/59/721752659.db2.gz YBSSKWYUCFGQGN-UHFFFAOYSA-N 0 0 409.446 3.181 20 5 HGBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCCn3cnc(Cn4cccn4)c3C2)cnc1Cl ZINC001164937083 721914781 /nfs/dbraw/zinc/91/47/81/721914781.db2.gz GSEVEJFDMAXZSU-UHFFFAOYSA-N 0 0 423.811 3.040 20 5 HGBDRN O=[N+]([O-])c1ccc(-c2ccc(N3CCN(CCOc4ccccc4)CC3)nn2)cc1 ZINC001165044441 721959501 /nfs/dbraw/zinc/95/95/01/721959501.db2.gz LKQITQOHGRTTDR-UHFFFAOYSA-N 0 0 405.458 3.253 20 5 HGBDRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001164960751 722046299 /nfs/dbraw/zinc/04/62/99/722046299.db2.gz WFLCOQOGMPNRBP-MFKMUULPSA-N 0 0 412.780 3.132 20 5 HGBDRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2C1 ZINC001164971431 722084738 /nfs/dbraw/zinc/08/47/38/722084738.db2.gz IAWMBAAOEKGNBG-VXGBXAGGSA-N 0 0 414.840 3.319 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(Cl)ncc4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164987505 722177711 /nfs/dbraw/zinc/17/77/11/722177711.db2.gz NXCUZDLFYGKAMU-YOEHRIQHSA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(Cl)cc([N+](=O)[O-])n4)CC[C@@H]32)cs1 ZINC001164986208 722179807 /nfs/dbraw/zinc/17/98/07/722179807.db2.gz JDJPTWGQJWBXRS-JKSUJKDBSA-N 0 0 423.926 3.278 20 5 HGBDRN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164994469 722203509 /nfs/dbraw/zinc/20/35/09/722203509.db2.gz HLSYVUABNLYMTM-IBGZPJMESA-N 0 0 406.845 3.266 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000426719329 1126082072 /nfs/dbraw/zinc/08/20/72/1126082072.db2.gz FUTUEDDPOMAKTG-HXUWFJFHSA-N 0 0 405.414 3.047 20 5 HGBDRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)[O-])n1 ZINC000426731777 1126084194 /nfs/dbraw/zinc/08/41/94/1126084194.db2.gz GQBKLNOPODGBMB-KRWDZBQOSA-N 0 0 400.460 3.380 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc2c1OCCCO2 ZINC000426736101 1126084960 /nfs/dbraw/zinc/08/49/60/1126084960.db2.gz WFLQPLQPYRRLKL-GOSISDBHSA-N 0 0 411.414 3.023 20 5 HGBDRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@@H]3O2)n1 ZINC001164656445 719297806 /nfs/dbraw/zinc/29/78/06/719297806.db2.gz XJTUEIFPQXAWSV-ICCXJUOJSA-N 0 0 415.784 3.236 20 5 HGBDRN Cc1nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001164668142 719494800 /nfs/dbraw/zinc/49/48/00/719494800.db2.gz OCOCBDUJHZOWOK-UHFFFAOYSA-N 0 0 400.454 3.309 20 5 HGBDRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164818988 720276664 /nfs/dbraw/zinc/27/66/64/720276664.db2.gz OGUVUSJVJSNLRZ-KRWDZBQOSA-N 0 0 414.840 3.417 20 5 HGBDRN COCCN1CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)Cc2cccnc21 ZINC001164886844 721368836 /nfs/dbraw/zinc/36/88/36/721368836.db2.gz OTGUKEKBJOFNSG-UHFFFAOYSA-N 0 0 413.812 3.056 20 5 HGBDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@H]21 ZINC001164889069 721463070 /nfs/dbraw/zinc/46/30/70/721463070.db2.gz HMRGULQCQNQZMI-NWDGAFQWSA-N 0 0 402.829 3.271 20 5 HGBDRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001165008797 721724502 /nfs/dbraw/zinc/72/45/02/721724502.db2.gz RBWXYBMPERBCFE-INIZCTEOSA-N 0 0 402.829 3.415 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4nccc(Cl)c4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164984457 722175190 /nfs/dbraw/zinc/17/51/90/722175190.db2.gz DVNADDQXCFELNJ-HOTGVXAUSA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc([N+](=O)[O-])c(C)c4C)CC[C@H]32)cs1 ZINC001164985161 722183224 /nfs/dbraw/zinc/18/32/24/722183224.db2.gz ANFHVJATWSFPKU-MJGOQNOKSA-N 0 0 417.535 3.241 20 5 HGBDRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426723107 1126082658 /nfs/dbraw/zinc/08/26/58/1126082658.db2.gz XVJOONIAXRDDQS-ZDUSSCGKSA-N 0 0 424.335 3.313 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000426738016 1126085185 /nfs/dbraw/zinc/08/51/85/1126085185.db2.gz RZXVYHXWJOLBJD-LJQANCHMSA-N 0 0 405.414 3.252 20 5 HGBDRN CC(C)c1ccc(C[NH2+][C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426760385 1126088656 /nfs/dbraw/zinc/08/86/56/1126088656.db2.gz ZWULAPAZROIVEU-LJQANCHMSA-N 0 0 409.446 3.084 20 5 HGBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000426820059 1126092642 /nfs/dbraw/zinc/09/26/42/1126092642.db2.gz XPYNYDQCBMMMTR-AWEZNQCLSA-N 0 0 416.327 3.461 20 5 HGBDRN CC(C)n1nc(CN(C)C)c2c1CN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164650496 719314749 /nfs/dbraw/zinc/31/47/49/719314749.db2.gz FIHBTYQEDULXQA-UHFFFAOYSA-N 0 0 421.505 3.454 20 5 HGBDRN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC001164786534 721438280 /nfs/dbraw/zinc/43/82/80/721438280.db2.gz VHORKLFBEKAEOU-TXEJJXNPSA-N 0 0 416.894 3.216 20 5 HGBDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001164888312 721462413 /nfs/dbraw/zinc/46/24/13/721462413.db2.gz GIYYQCTWWZQFEO-DGCLKSJQSA-N 0 0 402.829 3.271 20 5 HGBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164803665 721549485 /nfs/dbraw/zinc/54/94/85/721549485.db2.gz IQAGLVPLVNTQDZ-FCEUIQTBSA-N 0 0 419.485 3.406 20 5 HGBDRN O=C([O-])[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC001123269532 939818375 /nfs/dbraw/zinc/81/83/75/939818375.db2.gz ZICZQUFPENMFKR-HXUWFJFHSA-N 0 0 417.849 3.097 20 5 HGBDRN COc1ccc(Br)c(C[NH2+][C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC000426790951 1126090790 /nfs/dbraw/zinc/09/07/90/1126090790.db2.gz CGSHKVJZXVWUNY-INIZCTEOSA-N 0 0 409.236 3.151 20 5 HGBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000585731804 1126098382 /nfs/dbraw/zinc/09/83/82/1126098382.db2.gz DPOZMGSRYAWKCH-IBGZPJMESA-N 0 0 414.849 3.279 20 5 HGBDRN O=C([O-])[C@@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001324575189 1126172316 /nfs/dbraw/zinc/17/23/16/1126172316.db2.gz LUSUGUUZCHMBQA-CQSZACIVSA-N 0 0 406.851 3.416 20 5 HGBDRN CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@@H]21 ZINC001164670642 719490255 /nfs/dbraw/zinc/49/02/55/719490255.db2.gz XRBMRJPNQGMWID-IRXDYDNUSA-N 0 0 424.835 3.374 20 5 HGBDRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc2ccc3cccnc3c2n1 ZINC001164705232 719846888 /nfs/dbraw/zinc/84/68/88/719846888.db2.gz TUWXHSMFLIXKQX-CYFREDJKSA-N 0 0 420.513 3.016 20 5 HGBDRN Cc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164808382 721542831 /nfs/dbraw/zinc/54/28/31/721542831.db2.gz RUIIIODFBHBFRD-GJYPPUQNSA-N 0 0 417.897 3.215 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc([N+](=O)[O-])cc4Cl)CC[C@H]32)cs1 ZINC001164988384 722174975 /nfs/dbraw/zinc/17/49/75/722174975.db2.gz QGXQEUPQADKJOB-SJORKVTESA-N 0 0 423.926 3.278 20 5 HGBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000426765057 1126089283 /nfs/dbraw/zinc/08/92/83/1126089283.db2.gz BPLHMXFGZKHHSD-SFHVURJKSA-N 0 0 413.455 3.416 20 5 HGBDRN CCOc1c(Cl)cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1OC ZINC000426811346 1126091920 /nfs/dbraw/zinc/09/19/20/1126091920.db2.gz MCEHWWHTVLJKTQ-HNNXBMFYSA-N 0 0 408.838 3.441 20 5 HGBDRN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001473748894 1126198686 /nfs/dbraw/zinc/19/86/86/1126198686.db2.gz BBFCEGZOEVLDNP-WBVHZDCISA-N 0 0 412.364 3.006 20 5 HGBDRN O=[N+]([O-])c1ccccc1-c1nnc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)o1 ZINC001473752119 1126199236 /nfs/dbraw/zinc/19/92/36/1126199236.db2.gz ZXEQAVLNECVTEC-RHSMWYFYSA-N 0 0 422.363 3.269 20 5 HGBDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3C)C2)C1 ZINC001164777408 721333907 /nfs/dbraw/zinc/33/39/07/721333907.db2.gz MZHJCUDWEILBBG-NRFANRHFSA-N 0 0 415.494 3.022 20 5 HGBDRN COCCN1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)Cc2cccnc21 ZINC001164883034 721368489 /nfs/dbraw/zinc/36/84/89/721368489.db2.gz NCXCBNIUYHVMQX-UHFFFAOYSA-N 0 0 413.812 3.056 20 5 HGBDRN Cc1ccc(-c2ccc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164784005 721420321 /nfs/dbraw/zinc/42/03/21/721420321.db2.gz JTYSLLSPYZLXIO-CALCHBBNSA-N 0 0 422.514 3.385 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc([N+](=O)[O-])cc4Cl)CC[C@H]32)cs1 ZINC001164988020 722174856 /nfs/dbraw/zinc/17/48/56/722174856.db2.gz QGXQEUPQADKJOB-IAGOWNOFSA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nccc(Cl)c4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164984460 722175172 /nfs/dbraw/zinc/17/51/72/722175172.db2.gz DVNADDQXCFELNJ-JKSUJKDBSA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc(Cl)cc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164983672 722175235 /nfs/dbraw/zinc/17/52/35/722175235.db2.gz CBZBFFVVLVKJPV-WBVHZDCISA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)cc(C)c4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164989989 722183272 /nfs/dbraw/zinc/18/32/72/722183272.db2.gz NBQCGCIPHYBEIA-ZWKOTPCHSA-N 0 0 417.535 3.241 20 5 HGBDRN COc1cc(C)c(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1OC ZINC000426728943 1126083814 /nfs/dbraw/zinc/08/38/14/1126083814.db2.gz YSTJGYWFYAGHFF-SFHVURJKSA-N 0 0 413.430 3.187 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000426738015 1126085218 /nfs/dbraw/zinc/08/52/18/1126085218.db2.gz RZXVYHXWJOLBJD-IBGZPJMESA-N 0 0 405.414 3.252 20 5 HGBDRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426771868 1126089628 /nfs/dbraw/zinc/08/96/28/1126089628.db2.gz GSTNRMWOVLWYJA-INIZCTEOSA-N 0 0 410.382 3.369 20 5 HGBDRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426771269 1126089663 /nfs/dbraw/zinc/08/96/63/1126089663.db2.gz AHTGSKUTRQVJNK-KRWDZBQOSA-N 0 0 410.382 3.369 20 5 HGBDRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C(=O)[O-])n1 ZINC000426742642 1126085864 /nfs/dbraw/zinc/08/58/64/1126085864.db2.gz KSPYFIHYTKDVTN-INIZCTEOSA-N 0 0 400.460 3.380 20 5 HGBDRN COc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c(SC)cc1OC ZINC000426808721 1126091775 /nfs/dbraw/zinc/09/17/75/1126091775.db2.gz NRUGFRQKVVRPJI-AWEZNQCLSA-N 0 0 406.460 3.119 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000581048176 1126098509 /nfs/dbraw/zinc/09/85/09/1126098509.db2.gz PYJOJFUVJGSOHP-HXUWFJFHSA-N 0 0 405.414 3.047 20 5 HGBDRN O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000609707777 1126100795 /nfs/dbraw/zinc/10/07/95/1126100795.db2.gz YBTVIPWOVAVFJC-WMZOPIPTSA-N 0 0 412.364 3.085 20 5 HGBDRN O=C([O-])[C@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001324575185 1126172319 /nfs/dbraw/zinc/17/23/19/1126172319.db2.gz LUSUGUUZCHMBQA-AWEZNQCLSA-N 0 0 406.851 3.416 20 5 HGBDRN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001473748891 1126198644 /nfs/dbraw/zinc/19/86/44/1126198644.db2.gz BBFCEGZOEVLDNP-NVXWUHKLSA-N 0 0 412.364 3.006 20 5 HGBDRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]3O2)n1 ZINC001164656957 719298381 /nfs/dbraw/zinc/29/83/81/719298381.db2.gz ZUDFDLARFDVTSY-ADEWGFFLSA-N 0 0 415.784 3.236 20 5 HGBDRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164817312 720278395 /nfs/dbraw/zinc/27/83/95/720278395.db2.gz CLOPZOJFUVHWSC-QGZVFWFLSA-N 0 0 414.840 3.417 20 5 HGBDRN O=[N+]([O-])c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cnc1Cl ZINC001164727291 720334356 /nfs/dbraw/zinc/33/43/56/720334356.db2.gz SRQRSSZVSICDAA-GJZGRUSLSA-N 0 0 409.824 3.436 20 5 HGBDRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)O2)n1 ZINC001164829127 720400722 /nfs/dbraw/zinc/40/07/22/720400722.db2.gz LSGWFXKJFCJDNE-WXHSDQCUSA-N 0 0 415.784 3.379 20 5 HGBDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001164888315 721462449 /nfs/dbraw/zinc/46/24/49/721462449.db2.gz GIYYQCTWWZQFEO-YPMHNXCESA-N 0 0 402.829 3.271 20 5 HGBDRN CCOC[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)Cc2cnn(C)c21 ZINC001164789768 721476724 /nfs/dbraw/zinc/47/67/24/721476724.db2.gz CDOUAQARINPSSD-NSHDSACASA-N 0 0 401.801 3.062 20 5 HGBDRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001165009737 721702723 /nfs/dbraw/zinc/70/27/23/721702723.db2.gz CLNRNCZNSRNFEK-UHFFFAOYSA-N 0 0 414.297 3.139 20 5 HGBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001164941631 721940169 /nfs/dbraw/zinc/94/01/69/721940169.db2.gz IVRWFHVUIMINQM-SFTDATJTSA-N 0 0 415.497 3.477 20 5 HGBDRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21 ZINC001164959206 722046828 /nfs/dbraw/zinc/04/68/28/722046828.db2.gz PYSIQAXTAOTUQN-MFKMUULPSA-N 0 0 412.780 3.132 20 5 HGBDRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001164969741 722084376 /nfs/dbraw/zinc/08/43/76/722084376.db2.gz ROIHPMLTGWUIRY-ZSBIGDGJSA-N 0 0 414.840 3.319 20 5 HGBDRN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164996687 722201110 /nfs/dbraw/zinc/20/11/10/722201110.db2.gz VMBSNTVNZGJYSC-LJQANCHMSA-N 0 0 406.845 3.266 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000426719328 1126081963 /nfs/dbraw/zinc/08/19/63/1126081963.db2.gz FUTUEDDPOMAKTG-FQEVSTJZSA-N 0 0 405.414 3.047 20 5 HGBDRN COc1cc(C)c(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1OC ZINC000426728942 1126083792 /nfs/dbraw/zinc/08/37/92/1126083792.db2.gz YSTJGYWFYAGHFF-GOSISDBHSA-N 0 0 413.430 3.187 20 5 HGBDRN Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000426739233 1126085499 /nfs/dbraw/zinc/08/54/99/1126085499.db2.gz ARTGJLZRJFAHTQ-OAQYLSRUSA-N 0 0 419.441 3.356 20 5 HGBDRN COc1ccc(Br)c(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000426815309 1126092384 /nfs/dbraw/zinc/09/23/84/1126092384.db2.gz KJOBCMGSANQRGO-HNNXBMFYSA-N 0 0 409.236 3.151 20 5 HGBDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc2ccc3cccnc3c2n1 ZINC001164705238 719846884 /nfs/dbraw/zinc/84/68/84/719846884.db2.gz TUWXHSMFLIXKQX-YADARESESA-N 0 0 420.513 3.016 20 5 HGBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nccc(C)c3[N+](=O)[O-])C2)C1 ZINC001164777369 721340581 /nfs/dbraw/zinc/34/05/81/721340581.db2.gz GMFJIDSVRIPMTL-OAQYLSRUSA-N 0 0 415.494 3.022 20 5 HGBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)nc1Cl ZINC001164785187 721399950 /nfs/dbraw/zinc/39/99/50/721399950.db2.gz LTMWKKLOKQEYIN-PHIMTYICSA-N 0 0 415.853 3.213 20 5 HGBDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@@H]21 ZINC001164889071 721463188 /nfs/dbraw/zinc/46/31/88/721463188.db2.gz HMRGULQCQNQZMI-RYUDHWBXSA-N 0 0 402.829 3.271 20 5 HGBDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]21 ZINC001164888162 721463628 /nfs/dbraw/zinc/46/36/28/721463628.db2.gz DRXDPXMHUKKADV-FZMZJTMJSA-N 0 0 402.829 3.271 20 5 HGBDRN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCN(CCOc2ccccc2)CC1 ZINC001165044195 721954872 /nfs/dbraw/zinc/95/48/72/721954872.db2.gz IZKXYVZCZIWOMV-UHFFFAOYSA-N 0 0 413.865 3.392 20 5 HGBDRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1=O ZINC001164977670 722161876 /nfs/dbraw/zinc/16/18/76/722161876.db2.gz GLGPQQIVGKZZGR-QGZVFWFLSA-N 0 0 408.792 3.313 20 5 HGBDRN CC(C)c1ccc(C[NH2+][C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426720496 1126081978 /nfs/dbraw/zinc/08/19/78/1126081978.db2.gz NEERRGLTAJHEMO-ZDUSSCGKSA-N 0 0 400.357 3.177 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000426740081 1126085424 /nfs/dbraw/zinc/08/54/24/1126085424.db2.gz GIODPFGOTXDZDT-HXUWFJFHSA-N 0 0 405.414 3.047 20 5 HGBDRN COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426790045 1126090633 /nfs/dbraw/zinc/09/06/33/1126090633.db2.gz ZXCBWSBLSTXBIN-FQEVSTJZSA-N 0 0 407.426 3.451 20 5 HGBDRN Cn1c(=O)c2c(nc1SCC(=O)c1ccc([N+](=O)[O-])cc1)sc1c2CCC1 ZINC000032617226 527025813 /nfs/dbraw/zinc/02/58/13/527025813.db2.gz QZGCJUJXKBEBFR-UHFFFAOYSA-N 0 0 401.469 3.367 20 5 HGBDRN O=C(OCc1cn2cc(Cl)ccc2n1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000007987152 569060019 /nfs/dbraw/zinc/06/00/19/569060019.db2.gz ULCDXCFWFLZCOZ-UHFFFAOYSA-N 0 0 416.821 3.090 20 5 HGBDRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)O2)n1 ZINC001164826037 720402908 /nfs/dbraw/zinc/40/29/08/720402908.db2.gz AZAJDZYWTSCGEH-USWWRNFRSA-N 0 0 415.784 3.379 20 5 HGBDRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)O2)n1 ZINC001164832019 720403524 /nfs/dbraw/zinc/40/35/24/720403524.db2.gz XOTQRKYJJFWUCY-AVGNSLFASA-N 0 0 415.784 3.379 20 5 HGBDRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)O2)n1 ZINC001164832020 720403926 /nfs/dbraw/zinc/40/39/26/720403926.db2.gz XOTQRKYJJFWUCY-UPJWGTAASA-N 0 0 415.784 3.379 20 5 HGBDRN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164786639 721401104 /nfs/dbraw/zinc/40/11/04/721401104.db2.gz OMBJIZCKDXPTFG-AOOOYVTPSA-N 0 0 400.291 3.321 20 5 HGBDRN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@H]12 ZINC001164799663 721572693 /nfs/dbraw/zinc/57/26/93/721572693.db2.gz DBHUMLGLOQJMQL-VSKRKVRLSA-N 0 0 419.485 3.406 20 5 HGBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCn3cnc(COCC4CC4)c3C2)cnc1Cl ZINC001164801159 721599708 /nfs/dbraw/zinc/59/97/08/721599708.db2.gz ODDHVEKXCGAQEA-UHFFFAOYSA-N 0 0 413.812 3.331 20 5 HGBDRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC001164960749 722045969 /nfs/dbraw/zinc/04/59/69/722045969.db2.gz WFLCOQOGMPNRBP-GXFFZTMASA-N 0 0 412.780 3.132 20 5 HGBDRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21 ZINC001164959204 722046820 /nfs/dbraw/zinc/04/68/20/722046820.db2.gz PYSIQAXTAOTUQN-GXFFZTMASA-N 0 0 412.780 3.132 20 5 HGBDRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21 ZINC001164961764 722046889 /nfs/dbraw/zinc/04/68/89/722046889.db2.gz ZVJZYEVHFHJLFL-CMPLNLGQSA-N 0 0 412.780 3.132 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4nccc(Cl)c4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164984455 722175134 /nfs/dbraw/zinc/17/51/34/722175134.db2.gz DVNADDQXCFELNJ-CVEARBPZSA-N 0 0 423.926 3.278 20 5 HGBDRN CCOc1cc(C[NH2+][C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc(Cl)c1OC ZINC000426780593 1126090068 /nfs/dbraw/zinc/09/00/68/1126090068.db2.gz UGCFPJRGURZDLA-INIZCTEOSA-N 0 0 408.838 3.441 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000426742253 1126085881 /nfs/dbraw/zinc/08/58/81/1126085881.db2.gz JCJMTHYKGFYSKH-KRWDZBQOSA-N 0 0 405.357 3.463 20 5 HGBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000426805629 1126091443 /nfs/dbraw/zinc/09/14/43/1126091443.db2.gz DEOPXCOEXFJOHG-KRWDZBQOSA-N 0 0 400.822 3.219 20 5 HGBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1csc(COc2ccccc2)n1 ZINC001343649474 1126182317 /nfs/dbraw/zinc/18/23/17/1126182317.db2.gz ZGUHXVPTQOFRCD-KRWDZBQOSA-N 0 0 413.455 3.416 20 5 HGBDRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164695236 719790923 /nfs/dbraw/zinc/79/09/23/719790923.db2.gz KXTOXWCTNWDPNW-UHFFFAOYSA-N 0 0 413.812 3.371 20 5 HGBDRN O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cnc1Cl ZINC001164727293 720334772 /nfs/dbraw/zinc/33/47/72/720334772.db2.gz SRQRSSZVSICDAA-HUUCEWRRSA-N 0 0 409.824 3.436 20 5 HGBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3C)C2)C1 ZINC001164777409 721334537 /nfs/dbraw/zinc/33/45/37/721334537.db2.gz MZHJCUDWEILBBG-OAQYLSRUSA-N 0 0 415.494 3.022 20 5 HGBDRN O=[N+]([O-])c1ccc(-c2ccc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)nn2)cc1 ZINC001164783908 721424810 /nfs/dbraw/zinc/42/48/10/721424810.db2.gz JZKARLDBLBZGJO-HOTGVXAUSA-N 0 0 408.487 3.077 20 5 HGBDRN Cc1cc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164783456 721430107 /nfs/dbraw/zinc/43/01/07/721430107.db2.gz IPGRKTAQAXKDHI-IAGOWNOFSA-N 0 0 422.514 3.385 20 5 HGBDRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001164969740 722084293 /nfs/dbraw/zinc/08/42/93/722084293.db2.gz ROIHPMLTGWUIRY-VXGBXAGGSA-N 0 0 414.840 3.319 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)cc(C)c4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164989985 722183378 /nfs/dbraw/zinc/18/33/78/722183378.db2.gz NBQCGCIPHYBEIA-MSOLQXFVSA-N 0 0 417.535 3.241 20 5 HGBDRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426723106 1126082634 /nfs/dbraw/zinc/08/26/34/1126082634.db2.gz XVJOONIAXRDDQS-CYBMUJFWSA-N 0 0 424.335 3.313 20 5 HGBDRN CCn1nc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])c2ccccc21 ZINC000426734498 1126084690 /nfs/dbraw/zinc/08/46/90/1126084690.db2.gz ATWWELKSAHUUEI-GOSISDBHSA-N 0 0 407.430 3.231 20 5 HGBDRN COc1ccc(Br)cc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000426816519 1126092466 /nfs/dbraw/zinc/09/24/66/1126092466.db2.gz LCMYKCFXNKXQKB-AWEZNQCLSA-N 0 0 409.236 3.151 20 5 HGBDRN CCn1c(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])nc2ccccc21 ZINC000577574843 1126098215 /nfs/dbraw/zinc/09/82/15/1126098215.db2.gz IZLHBPXGTRNISE-GOSISDBHSA-N 0 0 407.430 3.231 20 5 HGBDRN O=[N+]([O-])c1ccccc1-c1nnc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)o1 ZINC001473752121 1126199199 /nfs/dbraw/zinc/19/91/99/1126199199.db2.gz ZXEQAVLNECVTEC-YOEHRIQHSA-N 0 0 422.363 3.269 20 5 HGBDRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)O2)n1 ZINC001164829126 720400312 /nfs/dbraw/zinc/40/03/12/720400312.db2.gz LSGWFXKJFCJDNE-UHTWSYAYSA-N 0 0 415.784 3.379 20 5 HGBDRN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164801595 721546202 /nfs/dbraw/zinc/54/62/02/721546202.db2.gz FUFYHRYNALGTQI-ZIFCJYIRSA-N 0 0 417.897 3.215 20 5 HGBDRN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164994470 722203531 /nfs/dbraw/zinc/20/35/31/722203531.db2.gz HLSYVUABNLYMTM-LJQANCHMSA-N 0 0 406.845 3.266 20 5 HGBDRN COc1ccc(-c2ccc(C[NH2+][C@H](Cc3ccc(O)cc3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426663427 1126081404 /nfs/dbraw/zinc/08/14/04/1126081404.db2.gz LOMORTQDRHIPRT-GOSISDBHSA-N 0 0 412.398 3.355 20 5 HGBDRN CCOc1cc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])ccc1OC ZINC000426721895 1126082410 /nfs/dbraw/zinc/08/24/10/1126082410.db2.gz DVBVVQAYYUTDGZ-GOSISDBHSA-N 0 0 413.430 3.269 20 5 HGBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000426777771 1126090170 /nfs/dbraw/zinc/09/01/70/1126090170.db2.gz QJVNEZWMAIAGPF-HNNXBMFYSA-N 0 0 416.327 3.461 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000426745718 1126086359 /nfs/dbraw/zinc/08/63/59/1126086359.db2.gz VSONUKLCVVWNQX-FQEVSTJZSA-N 0 0 423.404 3.186 20 5 HGBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000585731876 1126098325 /nfs/dbraw/zinc/09/83/25/1126098325.db2.gz YSHJSKGMAMQUBY-SFHVURJKSA-N 0 0 414.849 3.279 20 5 HGBDRN COC1(c2nc(CC(F)(F)F)no2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000555985277 568785169 /nfs/dbraw/zinc/78/51/69/568785169.db2.gz KMUCYUDXKJRRNW-UHFFFAOYSA-N 0 0 400.357 3.220 20 5 HGBDRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]3O2)n1 ZINC001164656965 719298383 /nfs/dbraw/zinc/29/83/83/719298383.db2.gz ZUZWYUWKIBOGKH-ICCXJUOJSA-N 0 0 415.784 3.236 20 5 HGBDRN O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164666649 719492671 /nfs/dbraw/zinc/49/26/71/719492671.db2.gz FFBRFZXDAIIWSB-UHFFFAOYSA-N 0 0 421.860 3.049 20 5 HGBDRN Cc1cnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001164667083 719494455 /nfs/dbraw/zinc/49/44/55/719494455.db2.gz IPAFIWIRFMOGHX-UHFFFAOYSA-N 0 0 400.454 3.309 20 5 HGBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164669335 719495057 /nfs/dbraw/zinc/49/50/57/719495057.db2.gz SUWVKEDSPOGNDK-UHFFFAOYSA-N 0 0 400.454 3.309 20 5 HGBDRN COc1cnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001164673220 719505967 /nfs/dbraw/zinc/50/59/67/719505967.db2.gz PYBBFFNUDVBJNT-UHFFFAOYSA-N 0 0 416.453 3.009 20 5 HGBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164727776 720364217 /nfs/dbraw/zinc/36/42/17/720364217.db2.gz RJYXQDKVMVYOIH-CVEARBPZSA-N 0 0 409.824 3.436 20 5 HGBDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nccc(C)c3[N+](=O)[O-])C2)C1 ZINC001164777368 721340981 /nfs/dbraw/zinc/34/09/81/721340981.db2.gz GMFJIDSVRIPMTL-NRFANRHFSA-N 0 0 415.494 3.022 20 5 HGBDRN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164785816 721401818 /nfs/dbraw/zinc/40/18/18/721401818.db2.gz MZQVNVIKQWVDHI-RYUDHWBXSA-N 0 0 416.894 3.216 20 5 HGBDRN Cc1cc(N2CCCn3c(CN(C)C(C)C)nnc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165011255 721698873 /nfs/dbraw/zinc/69/88/73/721698873.db2.gz PFCXXYHRFSECSM-UHFFFAOYSA-N 0 0 409.494 3.293 20 5 HGBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC4(C3)OCCO4)c(Cl)nn2)c1 ZINC001165048133 721985711 /nfs/dbraw/zinc/98/57/11/721985711.db2.gz JPERXXXQDVMREV-UHFFFAOYSA-N 0 0 412.780 3.203 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(Br)o1 ZINC000426742226 1126085838 /nfs/dbraw/zinc/08/58/38/1126085838.db2.gz IYPOFMXBTDIAOQ-AWEZNQCLSA-N 0 0 408.208 3.217 20 5 HGBDRN O=[N+]([O-])c1ccc(-c2noc(CN[C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)n2)cc1 ZINC001308038187 1126162685 /nfs/dbraw/zinc/16/26/85/1126162685.db2.gz IZPNYEIWUKETTH-NVXWUHKLSA-N 0 0 422.363 3.269 20 5 HGBDRN COc1nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001164671039 719497906 /nfs/dbraw/zinc/49/79/06/719497906.db2.gz BDKYAOIMPVHGRU-UHFFFAOYSA-N 0 0 416.453 3.009 20 5 HGBDRN O=[N+]([O-])c1ccccc1-c1ccc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)nn1 ZINC001164788848 721430445 /nfs/dbraw/zinc/43/04/45/721430445.db2.gz TUWNMTVCLMYMHA-GASCZTMLSA-N 0 0 408.487 3.077 20 5 HGBDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]21 ZINC001164888163 721463428 /nfs/dbraw/zinc/46/34/28/721463428.db2.gz DRXDPXMHUKKADV-RISCZKNCSA-N 0 0 402.829 3.271 20 5 HGBDRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C2 ZINC001165010308 721699344 /nfs/dbraw/zinc/69/93/44/721699344.db2.gz HDGXTZXVVYTILW-UHFFFAOYSA-N 0 0 414.297 3.139 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc(Cl)cc4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164983670 722175052 /nfs/dbraw/zinc/17/50/52/722175052.db2.gz CBZBFFVVLVKJPV-RDJZCZTQSA-N 0 0 423.926 3.278 20 5 HGBDRN CCOc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])ccc1OC ZINC000426721896 1126082482 /nfs/dbraw/zinc/08/24/82/1126082482.db2.gz DVBVVQAYYUTDGZ-SFHVURJKSA-N 0 0 413.430 3.269 20 5 HGBDRN CC(C)c1ccc(C[NH2+][C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426760384 1126088523 /nfs/dbraw/zinc/08/85/23/1126088523.db2.gz ZWULAPAZROIVEU-IBGZPJMESA-N 0 0 409.446 3.084 20 5 HGBDRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426781295 1126090173 /nfs/dbraw/zinc/09/01/73/1126090173.db2.gz AYQWZLSEOVHSED-QGZVFWFLSA-N 0 0 410.382 3.369 20 5 HGBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000426785295 1126090430 /nfs/dbraw/zinc/09/04/30/1126090430.db2.gz WNNINVQPDZWYCM-INIZCTEOSA-N 0 0 421.247 3.078 20 5 HGBDRN Cn1c(C[NH2+][C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC000426793373 1126090877 /nfs/dbraw/zinc/09/08/77/1126090877.db2.gz NBHHUXLVCCBWCI-HNNXBMFYSA-N 0 0 422.363 3.286 20 5 HGBDRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)O2)n1 ZINC001164832021 720403559 /nfs/dbraw/zinc/40/35/59/720403559.db2.gz XOTQRKYJJFWUCY-XQQFMLRXSA-N 0 0 415.784 3.379 20 5 HGBDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)C1 ZINC001164775774 721334687 /nfs/dbraw/zinc/33/46/87/721334687.db2.gz ABYCNADJXRALOO-NRFANRHFSA-N 0 0 415.494 3.022 20 5 HGBDRN Cc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164808383 721543380 /nfs/dbraw/zinc/54/33/80/721543380.db2.gz RUIIIODFBHBFRD-JTDSTZFVSA-N 0 0 417.897 3.215 20 5 HGBDRN Cc1cc([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164803078 721544972 /nfs/dbraw/zinc/54/49/72/721544972.db2.gz HWCDWGXWZNRNSH-NJAFHUGGSA-N 0 0 417.897 3.215 20 5 HGBDRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001165011284 721724018 /nfs/dbraw/zinc/72/40/18/721724018.db2.gz OMAJNTZWROEWCW-INIZCTEOSA-N 0 0 402.829 3.415 20 5 HGBDRN COc1cnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c([N+](=O)[O-])c1 ZINC001164909993 721753741 /nfs/dbraw/zinc/75/37/41/721753741.db2.gz WXSXPMUTCUENCK-UHFFFAOYSA-N 0 0 409.446 3.181 20 5 HGBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC001164946569 721940175 /nfs/dbraw/zinc/94/01/75/721940175.db2.gz ZPMYEHHRAVYPMX-RTWAWAEBSA-N 0 0 423.473 3.146 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4cc([N+](=O)[O-])cc(Cl)n4)CC[C@@H]32)cs1 ZINC001164988386 722174675 /nfs/dbraw/zinc/17/46/75/722174675.db2.gz QJMOMYVVRVINEA-HOTGVXAUSA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc([N+](=O)[O-])cc4Cl)CC[C@@H]32)cs1 ZINC001164988018 722174852 /nfs/dbraw/zinc/17/48/52/722174852.db2.gz QGXQEUPQADKJOB-DLBZAZTESA-N 0 0 423.926 3.278 20 5 HGBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](Cc3ccc(O)cc3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426663428 1126081342 /nfs/dbraw/zinc/08/13/42/1126081342.db2.gz LOMORTQDRHIPRT-SFHVURJKSA-N 0 0 412.398 3.355 20 5 HGBDRN COc1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426763119 1126089019 /nfs/dbraw/zinc/08/90/19/1126089019.db2.gz QBGGPQGUSWHTDP-CQSZACIVSA-N 0 0 409.236 3.151 20 5 HGBDRN COc1ccc(C[NH2+][C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1Br ZINC000426784530 1126090238 /nfs/dbraw/zinc/09/02/38/1126090238.db2.gz RQICXELFCKEPLB-HNNXBMFYSA-N 0 0 409.236 3.151 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC001320748417 1126169812 /nfs/dbraw/zinc/16/98/12/1126169812.db2.gz DZQQEKRUPNHPSJ-GOSISDBHSA-N 0 0 423.454 3.380 20 5 HGBDRN CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]21 ZINC001164670644 719489935 /nfs/dbraw/zinc/48/99/35/719489935.db2.gz XRBMRJPNQGMWID-SJORKVTESA-N 0 0 424.835 3.374 20 5 HGBDRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)O2)n1 ZINC001164829124 720400488 /nfs/dbraw/zinc/40/04/88/720400488.db2.gz LSGWFXKJFCJDNE-RTXFEEFZSA-N 0 0 415.784 3.379 20 5 HGBDRN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164785821 721401419 /nfs/dbraw/zinc/40/14/19/721401419.db2.gz MZQVNVIKQWVDHI-VXGBXAGGSA-N 0 0 416.894 3.216 20 5 HGBDRN Cc1cc([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1Cl ZINC001164803081 721544916 /nfs/dbraw/zinc/54/49/16/721544916.db2.gz HWCDWGXWZNRNSH-SZMVWBNQSA-N 0 0 417.897 3.215 20 5 HGBDRN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]12 ZINC001164799666 721573188 /nfs/dbraw/zinc/57/31/88/721573188.db2.gz DBHUMLGLOQJMQL-YPAWHYETSA-N 0 0 419.485 3.406 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc([N+](=O)[O-])cc(Cl)n4)CC[C@H]32)cs1 ZINC001164988387 722174588 /nfs/dbraw/zinc/17/45/88/722174588.db2.gz QJMOMYVVRVINEA-HZPDHXFCSA-N 0 0 423.926 3.278 20 5 HGBDRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426771270 1126089635 /nfs/dbraw/zinc/08/96/35/1126089635.db2.gz AHTGSKUTRQVJNK-QGZVFWFLSA-N 0 0 410.382 3.369 20 5 HGBDRN CCOc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc(Cl)c1OC ZINC000426818959 1126092625 /nfs/dbraw/zinc/09/26/25/1126092625.db2.gz UIPPHCFEBQSVCG-HNNXBMFYSA-N 0 0 408.838 3.441 20 5 HGBDRN CC(C)n1nc(CN(C)C)c2c1CN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164652126 719316170 /nfs/dbraw/zinc/31/61/70/719316170.db2.gz NXHOQYTXUQWQSB-UHFFFAOYSA-N 0 0 421.505 3.454 20 5 HGBDRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)O2)n1 ZINC001164829123 720400571 /nfs/dbraw/zinc/40/05/71/720400571.db2.gz LSGWFXKJFCJDNE-DRZSPHRISA-N 0 0 415.784 3.379 20 5 HGBDRN Cc1ccc(-c2ccc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164784008 721420330 /nfs/dbraw/zinc/42/03/30/721420330.db2.gz JTYSLLSPYZLXIO-IAGOWNOFSA-N 0 0 422.514 3.385 20 5 HGBDRN Cc1cc([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1Cl ZINC001164803080 721545248 /nfs/dbraw/zinc/54/52/48/721545248.db2.gz HWCDWGXWZNRNSH-RYQLBKOJSA-N 0 0 417.897 3.215 20 5 HGBDRN Cc1cnc2n1CCN(C)C21CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001164918480 721814990 /nfs/dbraw/zinc/81/49/90/721814990.db2.gz ZXLPENNJPZBWCK-UHFFFAOYSA-N 0 0 411.293 3.243 20 5 HGBDRN O=[N+]([O-])c1cc(-c2ccc(N3CCN(CCOc4ccccc4)CC3)nn2)ccc1F ZINC001165044268 721961419 /nfs/dbraw/zinc/96/14/19/721961419.db2.gz HEDXKNWDINFHLA-UHFFFAOYSA-N 0 0 423.448 3.392 20 5 HGBDRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC001164960753 722046306 /nfs/dbraw/zinc/04/63/06/722046306.db2.gz WFLCOQOGMPNRBP-ZWNOBZJWSA-N 0 0 412.780 3.132 20 5 HGBDRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2C1 ZINC001164970700 722084751 /nfs/dbraw/zinc/08/47/51/722084751.db2.gz FYTIHGHMPMRZPO-VXGBXAGGSA-N 0 0 414.840 3.319 20 5 HGBDRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1=O ZINC001164975300 722161276 /nfs/dbraw/zinc/16/12/76/722161276.db2.gz RSWKMYHTGJSEKM-KRWDZBQOSA-N 0 0 408.792 3.313 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(Cl)cc([N+](=O)[O-])n4)CC[C@@H]32)cs1 ZINC001164986201 722179848 /nfs/dbraw/zinc/17/98/48/722179848.db2.gz JDJPTWGQJWBXRS-HOTGVXAUSA-N 0 0 423.926 3.278 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000426740080 1126085376 /nfs/dbraw/zinc/08/53/76/1126085376.db2.gz GIODPFGOTXDZDT-FQEVSTJZSA-N 0 0 405.414 3.047 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000426719415 1126081998 /nfs/dbraw/zinc/08/19/98/1126081998.db2.gz GIHVEEVYFUPPJA-LJQANCHMSA-N 0 0 406.398 3.115 20 5 HGBDRN Cc1cnn(C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000426720971 1126082142 /nfs/dbraw/zinc/08/21/42/1126082142.db2.gz QEWNNQABROORIX-KRWDZBQOSA-N 0 0 414.393 3.274 20 5 HGBDRN Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000426739232 1126085485 /nfs/dbraw/zinc/08/54/85/1126085485.db2.gz ARTGJLZRJFAHTQ-NRFANRHFSA-N 0 0 419.441 3.356 20 5 HGBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc2c1OCCCO2 ZINC000426736102 1126084863 /nfs/dbraw/zinc/08/48/63/1126084863.db2.gz WFLQPLQPYRRLKL-SFHVURJKSA-N 0 0 411.414 3.023 20 5 HGBDRN Cc1cnn(C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000426757136 1126088164 /nfs/dbraw/zinc/08/81/64/1126088164.db2.gz BNXVNAWUJSRDLE-SFHVURJKSA-N 0 0 409.446 3.111 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000426745720 1126086363 /nfs/dbraw/zinc/08/63/63/1126086363.db2.gz VSONUKLCVVWNQX-HXUWFJFHSA-N 0 0 423.404 3.186 20 5 HGBDRN O=[N+]([O-])c1ccccc1-c1nnc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)o1 ZINC001473752118 1126199046 /nfs/dbraw/zinc/19/90/46/1126199046.db2.gz ZXEQAVLNECVTEC-PBHICJAKSA-N 0 0 422.363 3.269 20 5 HGBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCS(=O)(=O)CC3)cnc2Cl)c1 ZINC001164431069 718959949 /nfs/dbraw/zinc/95/99/49/718959949.db2.gz LBIONIKUGNSYLK-UHFFFAOYSA-N 0 0 417.821 3.090 20 5 HGBDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]3O2)n1 ZINC001164656968 719298343 /nfs/dbraw/zinc/29/83/43/719298343.db2.gz ZUZWYUWKIBOGKH-XDTLVQLUSA-N 0 0 415.784 3.236 20 5 HGBDRN O=[N+]([O-])c1cc(C(F)(F)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cnc1Cl ZINC001164727294 720334666 /nfs/dbraw/zinc/33/46/66/720334666.db2.gz SRQRSSZVSICDAA-LSDHHAIUSA-N 0 0 409.824 3.436 20 5 HGBDRN O=[N+]([O-])c1ccc(-c2ccc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)nn2)cc1 ZINC001164783915 721425118 /nfs/dbraw/zinc/42/51/18/721425118.db2.gz JZKARLDBLBZGJO-IYBDPMFKSA-N 0 0 408.487 3.077 20 5 HGBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001164908897 721750375 /nfs/dbraw/zinc/75/03/75/721750375.db2.gz NVXFVJMFQUOZSD-UHFFFAOYSA-N 0 0 424.417 3.081 20 5 HGBDRN COc1cc(C)nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164908936 721753454 /nfs/dbraw/zinc/75/34/54/721753454.db2.gz OUQQVUPBNKDUPO-UHFFFAOYSA-N 0 0 423.473 3.490 20 5 HGBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC4(C3)OCCO4)c(Cl)nn2)cc1 ZINC001165048855 721985866 /nfs/dbraw/zinc/98/58/66/721985866.db2.gz PLUHSIHREGHRBA-UHFFFAOYSA-N 0 0 412.780 3.203 20 5 HGBDRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21 ZINC001164959208 722046920 /nfs/dbraw/zinc/04/69/20/722046920.db2.gz PYSIQAXTAOTUQN-ZWNOBZJWSA-N 0 0 412.780 3.132 20 5 HGBDRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(Cl)ncc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164987502 722177686 /nfs/dbraw/zinc/17/76/86/722177686.db2.gz NXCUZDLFYGKAMU-PBHICJAKSA-N 0 0 423.926 3.278 20 5 HGBDRN O=[N+]([O-])c1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164994835 722196112 /nfs/dbraw/zinc/19/61/12/722196112.db2.gz QANUOXCIJVSXRY-IBGZPJMESA-N 0 0 401.398 3.282 20 5 HGBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000426805349 1126091428 /nfs/dbraw/zinc/09/14/28/1126091428.db2.gz AQJXRDZUGRNRPE-FQEVSTJZSA-N 0 0 407.426 3.354 20 5 HGBDRN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001473748893 1126198689 /nfs/dbraw/zinc/19/86/89/1126198689.db2.gz BBFCEGZOEVLDNP-RDJZCZTQSA-N 0 0 412.364 3.006 20 5 HGBDRN COCCn1cc([C@H]2[C@H](CNc3ccccc3[N+](=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000328604272 569417361 /nfs/dbraw/zinc/41/73/61/569417361.db2.gz JEMAOSCCCHXNTA-MGPUTAFESA-N 0 0 415.494 3.238 20 5 HGBDRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]3O2)n1 ZINC001164656966 719298438 /nfs/dbraw/zinc/29/84/38/719298438.db2.gz ZUZWYUWKIBOGKH-JIMOISOXSA-N 0 0 415.784 3.236 20 5 HGBDRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164648196 719309009 /nfs/dbraw/zinc/30/90/09/719309009.db2.gz QKQWQNJIMVRQQU-UHFFFAOYSA-N 0 0 414.297 3.093 20 5 HGBDRN O=[N+]([O-])c1cnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c(F)c1 ZINC001164671348 719503011 /nfs/dbraw/zinc/50/30/11/719503011.db2.gz DRWSEWMILHKHEI-UHFFFAOYSA-N 0 0 404.417 3.139 20 5 HGBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCn3cnc(COCC4CC4)c3C2)nc1Cl ZINC001164798444 721599588 /nfs/dbraw/zinc/59/95/88/721599588.db2.gz FSILELJPEYCPGT-UHFFFAOYSA-N 0 0 413.812 3.331 20 5 HGBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCn3cnc(COCC4CC4)c3C2)c1 ZINC001164802067 721599768 /nfs/dbraw/zinc/59/97/68/721599768.db2.gz QRLJVLNNZDAHFZ-UHFFFAOYSA-N 0 0 413.812 3.331 20 5 HGBDRN O=[N+]([O-])c1ccccc1-c1ccc(N2CCN(CCOc3ccccc3)CC2)nn1 ZINC001165044006 721960663 /nfs/dbraw/zinc/96/06/63/721960663.db2.gz BVFQXULBLAVPHI-UHFFFAOYSA-N 0 0 405.458 3.253 20 5 HGBDRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001164960748 722046092 /nfs/dbraw/zinc/04/60/92/722046092.db2.gz WFLCOQOGMPNRBP-GWCFXTLKSA-N 0 0 412.780 3.132 20 5 HGBDRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C2)C1=O ZINC001164983256 722161944 /nfs/dbraw/zinc/16/19/44/722161944.db2.gz ZWEZXRXDDNQERR-QGZVFWFLSA-N 0 0 408.792 3.313 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(Cl)ncc4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164987504 722177560 /nfs/dbraw/zinc/17/75/60/722177560.db2.gz NXCUZDLFYGKAMU-WMLDXEAASA-N 0 0 423.926 3.278 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc([N+](=O)[O-])c(C)c4C)CC[C@@H]32)cs1 ZINC001164985166 722183227 /nfs/dbraw/zinc/18/32/27/722183227.db2.gz ANFHVJATWSFPKU-PKOBYXMFSA-N 0 0 417.535 3.241 20 5 HGBDRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000426718624 1126081786 /nfs/dbraw/zinc/08/17/86/1126081786.db2.gz BPZPHUQOOJGBNG-IBGZPJMESA-N 0 0 423.473 3.419 20 5 HGBDRN CCOc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1OC ZINC000426730050 1126083977 /nfs/dbraw/zinc/08/39/77/1126083977.db2.gz IZUWWGPHLRDSLU-GOSISDBHSA-N 0 0 413.430 3.269 20 5 HGBDRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426781294 1126090090 /nfs/dbraw/zinc/09/00/90/1126090090.db2.gz AYQWZLSEOVHSED-KRWDZBQOSA-N 0 0 410.382 3.369 20 5 HGBDRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426754185 1126087624 /nfs/dbraw/zinc/08/76/24/1126087624.db2.gz OICBXOWBGSLRGQ-CQSZACIVSA-N 0 0 424.335 3.313 20 5 HGBDRN COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000426808325 1126091740 /nfs/dbraw/zinc/09/17/40/1126091740.db2.gz LPHWGZJRYZUJSC-IBGZPJMESA-N 0 0 407.426 3.451 20 5 HGBDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2ccc3cccnc3c2n1 ZINC001164705234 719846718 /nfs/dbraw/zinc/84/67/18/719846718.db2.gz TUWXHSMFLIXKQX-DVECYGJZSA-N 0 0 420.513 3.016 20 5 HGBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1Cl ZINC001164730363 720354138 /nfs/dbraw/zinc/35/41/38/720354138.db2.gz ZDLKFWBFWGOGED-KBPBESRZSA-N 0 0 409.824 3.436 20 5 HGBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)C1 ZINC001164775775 721334175 /nfs/dbraw/zinc/33/41/75/721334175.db2.gz ABYCNADJXRALOO-OAQYLSRUSA-N 0 0 415.494 3.022 20 5 HGBDRN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164785819 721401447 /nfs/dbraw/zinc/40/14/47/721401447.db2.gz MZQVNVIKQWVDHI-TXEJJXNPSA-N 0 0 416.894 3.216 20 5 HGBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(Cl)cc4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164983666 722175206 /nfs/dbraw/zinc/17/52/06/722175206.db2.gz CBZBFFVVLVKJPV-DOTOQJQBSA-N 0 0 423.926 3.278 20 5 HGBDRN CCn1nc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])c2ccccc21 ZINC000426734501 1126084759 /nfs/dbraw/zinc/08/47/59/1126084759.db2.gz ATWWELKSAHUUEI-SFHVURJKSA-N 0 0 407.430 3.231 20 5 HGBDRN CCOc1c(Cl)cc(C[NH2+][C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1OC ZINC000426798602 1126091125 /nfs/dbraw/zinc/09/11/25/1126091125.db2.gz FXMQAXJIDZSZID-INIZCTEOSA-N 0 0 408.838 3.441 20 5 HGBDRN O=C([O-])[C@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001116762650 1126145429 /nfs/dbraw/zinc/14/54/29/1126145429.db2.gz CWQNHMBSFDBAER-HNNXBMFYSA-N 0 0 406.851 3.416 20 5 HGBDRN O=[N+]([O-])c1ccc(-c2noc(CN[C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)n2)cc1 ZINC001308038188 1126162666 /nfs/dbraw/zinc/16/26/66/1126162666.db2.gz IZPNYEIWUKETTH-RDJZCZTQSA-N 0 0 422.363 3.269 20 5 HGBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cncc(Br)c1 ZINC001324575747 1126172384 /nfs/dbraw/zinc/17/23/84/1126172384.db2.gz OBXSOCGFBJYIKF-MRXNPFEDSA-N 0 0 419.235 3.019 20 5 HGBDRN Cn1c(=O)c2c(nc1SCC(=O)c1cccc([N+](=O)[O-])c1)sc1c2CCC1 ZINC000032617224 527025870 /nfs/dbraw/zinc/02/58/70/527025870.db2.gz SVOVRAQUUSSFAL-UHFFFAOYSA-N 0 0 401.469 3.367 20 5 HGBDRN