smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)ccc1[N+](=O)[O-] ZINC001164652095 719315853 /nfs/dbraw/zinc/31/58/53/719315853.db2.gz NQXUZLSXMKCNIO-UHFFFAOYSA-N 1 1 402.499 3.179 20 5 HGBDMO COc1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)ncc1[N+](=O)[O-] ZINC001164694375 719807191 /nfs/dbraw/zinc/80/71/91/719807191.db2.gz WKRBSIWFQSNZKB-UHFFFAOYSA-N 1 1 403.508 3.398 20 5 HGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C2 ZINC001164814771 720092203 /nfs/dbraw/zinc/09/22/03/720092203.db2.gz WOBRGSQVFJCHRP-FZKQIMNGSA-N 1 1 415.321 3.481 20 5 HGBDMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164723116 720392793 /nfs/dbraw/zinc/39/27/93/720392793.db2.gz GEVJFVFJDNRLPC-CHWSQXEVSA-N 1 1 406.899 3.008 20 5 HGBDMO Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164869091 721064733 /nfs/dbraw/zinc/06/47/33/721064733.db2.gz ROUALPCGJDMWTM-PMACEKPBSA-N 1 1 419.485 3.326 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868403 721067197 /nfs/dbraw/zinc/06/71/97/721067197.db2.gz OIKJWWMIJQFPLO-KGLIPLIRSA-N 1 1 424.288 3.171 20 5 HGBDMO O=[N+]([O-])c1ccc(-c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nn2)cc1 ZINC001164783912 721424943 /nfs/dbraw/zinc/42/49/43/721424943.db2.gz JZKARLDBLBZGJO-HZPDHXFCSA-N 1 1 408.487 3.077 20 5 HGBDMO Cc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164808384 721543245 /nfs/dbraw/zinc/54/32/45/721543245.db2.gz RUIIIODFBHBFRD-TXPKVOOTSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164808384 721543248 /nfs/dbraw/zinc/54/32/48/721543248.db2.gz RUIIIODFBHBFRD-TXPKVOOTSA-N 1 1 417.897 3.215 20 5 HGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164803667 721549108 /nfs/dbraw/zinc/54/91/08/721549108.db2.gz IQAGLVPLVNTQDZ-NNWRFLSQSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164803667 721549110 /nfs/dbraw/zinc/54/91/10/721549110.db2.gz IQAGLVPLVNTQDZ-NNWRFLSQSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]12 ZINC001164799661 721573214 /nfs/dbraw/zinc/57/32/14/721573214.db2.gz DBHUMLGLOQJMQL-BHDDXSALSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]12 ZINC001164799661 721573217 /nfs/dbraw/zinc/57/32/17/721573217.db2.gz DBHUMLGLOQJMQL-BHDDXSALSA-N 1 1 419.485 3.406 20 5 HGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164976460 722114738 /nfs/dbraw/zinc/11/47/38/722114738.db2.gz LQOYCSJMXKLSCX-AVRDEDQJSA-N 1 1 419.485 3.265 20 5 HGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164982721 722136718 /nfs/dbraw/zinc/13/67/18/722136718.db2.gz SFBNFRVLJTYYLF-DENIHFKCSA-N 1 1 419.485 3.265 20 5 HGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(C)c1[N+](=O)[O-])CC2 ZINC001164713017 720104076 /nfs/dbraw/zinc/10/40/76/720104076.db2.gz ZYUQDTYWEVBDFL-IBGZPJMESA-N 1 1 411.506 3.201 20 5 HGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001164813347 720109399 /nfs/dbraw/zinc/10/93/99/720109399.db2.gz QHCLCOHOABATDS-FZKQIMNGSA-N 1 1 415.321 3.481 20 5 HGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001164819380 720180738 /nfs/dbraw/zinc/18/07/38/720180738.db2.gz WRFMYGOTRZGKKR-WZONZLPQSA-N 1 1 423.517 3.237 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164723634 720483318 /nfs/dbraw/zinc/48/33/18/720483318.db2.gz CXJJAULYDTUMCV-IAGOWNOFSA-N 1 1 410.865 3.440 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164839475 720510586 /nfs/dbraw/zinc/51/05/86/720510586.db2.gz UVFXDKFZQSCLIC-XIRDDKMYSA-N 1 1 404.902 3.218 20 5 HGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164842698 720680349 /nfs/dbraw/zinc/68/03/49/720680349.db2.gz MUDXXRHJRVUEFC-SFHVURJKSA-N 1 1 400.454 3.389 20 5 HGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164867430 721074434 /nfs/dbraw/zinc/07/44/34/721074434.db2.gz IXTFAXUWNUPRHV-VQTJNVASSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869261 721187672 /nfs/dbraw/zinc/18/76/72/721187672.db2.gz PREXHSNZSYNLHU-WOJBJXKFSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164786527 721438231 /nfs/dbraw/zinc/43/82/31/721438231.db2.gz VHORKLFBEKAEOU-RYUDHWBXSA-N 1 1 416.894 3.216 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)cnc2c1 ZINC001164900535 721520394 /nfs/dbraw/zinc/52/03/94/721520394.db2.gz SASQPOLWPBMHAW-AEFFLSMTSA-N 1 1 409.421 3.019 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164897164 721525974 /nfs/dbraw/zinc/52/59/74/721525974.db2.gz DUJRGADPAOSOMR-HOCLYGCPSA-N 1 1 406.845 3.433 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164897161 721526408 /nfs/dbraw/zinc/52/64/08/721526408.db2.gz DUJRGADPAOSOMR-GOEBONIOSA-N 1 1 406.845 3.433 20 5 HGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027795 721804734 /nfs/dbraw/zinc/80/47/34/721804734.db2.gz XRJYQBJTCCITOB-USXIJHARSA-N 1 1 416.913 3.479 20 5 HGBDMO COc1nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ccc1[N+](=O)[O-] ZINC001164939829 721923115 /nfs/dbraw/zinc/92/31/15/721923115.db2.gz NTRSNLDDDTZAQM-UHFFFAOYSA-N 1 1 412.490 3.178 20 5 HGBDMO Cc1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164973906 722109252 /nfs/dbraw/zinc/10/92/52/722109252.db2.gz HXJUEPCSPLXEIA-IAGOWNOFSA-N 1 1 417.897 3.074 20 5 HGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164976481 722114341 /nfs/dbraw/zinc/11/43/41/722114341.db2.gz LQOYCSJMXKLSCX-XMSQKQJNSA-N 1 1 419.485 3.265 20 5 HGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000609707776 1126100815 /nfs/dbraw/zinc/10/08/15/1126100815.db2.gz YBTVIPWOVAVFJC-SJLPKXTDSA-N 1 1 412.364 3.085 20 5 HGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630922 719087301 /nfs/dbraw/zinc/08/73/01/719087301.db2.gz XNZFIDJDMSSUEE-PXNSSMCTSA-N 1 1 410.474 3.267 20 5 HGBDMO C[N@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001164669351 719485182 /nfs/dbraw/zinc/48/51/82/719485182.db2.gz SWANJRMFHHFCNV-UNMCSNQZSA-N 1 1 420.469 3.241 20 5 HGBDMO COc1cnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC001164691956 719807808 /nfs/dbraw/zinc/80/78/08/719807808.db2.gz BPGRNABOQZDTTE-UHFFFAOYSA-N 1 1 403.508 3.398 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839471 720510409 /nfs/dbraw/zinc/51/04/09/720510409.db2.gz UVFXDKFZQSCLIC-HYVNUMGLSA-N 1 1 404.902 3.218 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)CC[C@@H]21 ZINC001164839101 720516129 /nfs/dbraw/zinc/51/61/29/720516129.db2.gz STMHCRAOTVCUKV-MDKPJZGXSA-N 1 1 421.505 3.112 20 5 HGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@@H]2C ZINC001164857157 720999122 /nfs/dbraw/zinc/99/91/22/720999122.db2.gz CNPKMRYVEDWGJT-KXPUMZMLSA-N 1 1 413.526 3.140 20 5 HGBDMO Cc1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164783461 721429968 /nfs/dbraw/zinc/42/99/68/721429968.db2.gz IPGRKTAQAXKDHI-IRXDYDNUSA-N 1 1 422.514 3.385 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164786538 721438474 /nfs/dbraw/zinc/43/84/74/721438474.db2.gz VHORKLFBEKAEOU-VXGBXAGGSA-N 1 1 416.894 3.216 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)cnc2c1 ZINC001164900538 721520141 /nfs/dbraw/zinc/52/01/41/721520141.db2.gz SASQPOLWPBMHAW-WMZOPIPTSA-N 1 1 409.421 3.019 20 5 HGBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903991 721529452 /nfs/dbraw/zinc/52/94/52/721529452.db2.gz DRXHHAQYLLCOSV-FUHWJXTLSA-N 1 1 409.421 3.019 20 5 HGBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(F)cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164941044 721922581 /nfs/dbraw/zinc/92/25/81/721922581.db2.gz ZOOFWRFPFAMWDF-UHFFFAOYSA-N 1 1 400.454 3.309 20 5 HGBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4F)CC3)C2)cc1 ZINC001164938996 721924600 /nfs/dbraw/zinc/92/46/00/721924600.db2.gz GGNCSXVJQPJPAK-UHFFFAOYSA-N 1 1 400.454 3.309 20 5 HGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164971896 722110348 /nfs/dbraw/zinc/11/03/48/722110348.db2.gz DCFGFALARFKVCR-SIKLNZKXSA-N 1 1 419.485 3.265 20 5 HGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994347 722213769 /nfs/dbraw/zinc/21/37/69/722213769.db2.gz AWKAVVKGBHRTSU-NRFANRHFSA-N 1 1 414.437 3.160 20 5 HGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000609707773 1126100661 /nfs/dbraw/zinc/10/06/61/1126100661.db2.gz YBTVIPWOVAVFJC-AEFFLSMTSA-N 1 1 412.364 3.085 20 5 HGBDMO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164669203 719444881 /nfs/dbraw/zinc/44/48/81/719444881.db2.gz LEMOYKFDOIEQCY-IRXDYDNUSA-N 1 1 411.487 3.094 20 5 HGBDMO Cc1ccc(-c2nc3sccc3c(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164669202 719445760 /nfs/dbraw/zinc/44/57/60/719445760.db2.gz LEMOYKFDOIEQCY-IAGOWNOFSA-N 1 1 411.487 3.094 20 5 HGBDMO C[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001164669349 719486300 /nfs/dbraw/zinc/48/63/00/719486300.db2.gz SWANJRMFHHFCNV-RBBKRZOGSA-N 1 1 420.469 3.241 20 5 HGBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC3)cs1 ZINC001164691974 719806386 /nfs/dbraw/zinc/80/63/86/719806386.db2.gz DANZHQWEDXMNCR-UHFFFAOYSA-N 1 1 418.479 3.298 20 5 HGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164710373 720104257 /nfs/dbraw/zinc/10/42/57/720104257.db2.gz JIDQTCYUHCSQGN-SFHVURJKSA-N 1 1 415.469 3.031 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC001164834358 720519561 /nfs/dbraw/zinc/51/95/61/720519561.db2.gz FROSVGITFFPCOE-MMOPVJDHSA-N 1 1 421.505 3.112 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868405 721067634 /nfs/dbraw/zinc/06/76/34/721067634.db2.gz OIKJWWMIJQFPLO-UONOGXRCSA-N 1 1 424.288 3.171 20 5 HGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867486 721081810 /nfs/dbraw/zinc/08/18/10/721081810.db2.gz YNAUUXMXMRRBQS-KBPBESRZSA-N 1 1 424.288 3.171 20 5 HGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164778833 721333458 /nfs/dbraw/zinc/33/34/58/721333458.db2.gz YUGZFONXFDIYHF-OAQYLSRUSA-N 1 1 415.494 3.022 20 5 HGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164778833 721333466 /nfs/dbraw/zinc/33/34/66/721333466.db2.gz YUGZFONXFDIYHF-OAQYLSRUSA-N 1 1 415.494 3.022 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164784207 721401567 /nfs/dbraw/zinc/40/15/67/721401567.db2.gz JHVHIEHGZGFAMF-RYUDHWBXSA-N 1 1 416.894 3.216 20 5 HGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781039 721407214 /nfs/dbraw/zinc/40/72/14/721407214.db2.gz AHSPXLWLIDZCDV-AOOOYVTPSA-N 1 1 400.291 3.321 20 5 HGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781039 721407218 /nfs/dbraw/zinc/40/72/18/721407218.db2.gz AHSPXLWLIDZCDV-AOOOYVTPSA-N 1 1 400.291 3.321 20 5 HGBDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164900072 721525465 /nfs/dbraw/zinc/52/54/65/721525465.db2.gz NSWVFEKWCGCFFM-GOEBONIOSA-N 1 1 406.845 3.433 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907804 721527047 /nfs/dbraw/zinc/52/70/47/721527047.db2.gz OPIPRHVFTMQAKZ-HOCLYGCPSA-N 1 1 406.845 3.433 20 5 HGBDMO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1 ZINC001164907993 721585059 /nfs/dbraw/zinc/58/50/59/721585059.db2.gz XTOHMXQQVLCBGQ-LJQANCHMSA-N 1 1 403.433 3.431 20 5 HGBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164908374 721744567 /nfs/dbraw/zinc/74/45/67/721744567.db2.gz GZOLUUQYBUSBNJ-UHFFFAOYSA-N 1 1 414.853 3.221 20 5 HGBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164908374 721744570 /nfs/dbraw/zinc/74/45/70/721744570.db2.gz GZOLUUQYBUSBNJ-UHFFFAOYSA-N 1 1 414.853 3.221 20 5 HGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027793 721804556 /nfs/dbraw/zinc/80/45/56/721804556.db2.gz XRJYQBJTCCITOB-UAGQMJEPSA-N 1 1 416.913 3.479 20 5 HGBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165023462 721838264 /nfs/dbraw/zinc/83/82/64/721838264.db2.gz YOSNHZLHAPFBQT-UHFFFAOYSA-N 1 1 421.885 3.156 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164979150 722109507 /nfs/dbraw/zinc/10/95/07/722109507.db2.gz PFMAAFHPASJIKT-FUHWJXTLSA-N 1 1 417.897 3.074 20 5 HGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164975480 722156197 /nfs/dbraw/zinc/15/61/97/722156197.db2.gz SZZLGSRRSCSPJK-DENIHFKCSA-N 1 1 419.485 3.265 20 5 HGBDMO CCOC(=O)c1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164623445 719108733 /nfs/dbraw/zinc/10/87/33/719108733.db2.gz DDPPAPZCNDNGOI-IEBWSBKVSA-N 1 1 410.474 3.267 20 5 HGBDMO C[N@H+]1CCO[C@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001164667775 719393902 /nfs/dbraw/zinc/39/39/02/719393902.db2.gz PJBGUMQZOHUOGZ-WBVHZDCISA-N 1 1 408.817 3.094 20 5 HGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001164819374 720180569 /nfs/dbraw/zinc/18/05/69/720180569.db2.gz WRFMYGOTRZGKKR-FDDCHVKYSA-N 1 1 423.517 3.237 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC001164834934 720510296 /nfs/dbraw/zinc/51/02/96/720510296.db2.gz IKYYSGQTMJORNS-ZVZYQTTQSA-N 1 1 404.902 3.218 20 5 HGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867487 721082266 /nfs/dbraw/zinc/08/22/66/721082266.db2.gz YNAUUXMXMRRBQS-KGLIPLIRSA-N 1 1 424.288 3.171 20 5 HGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164778831 721332926 /nfs/dbraw/zinc/33/29/26/721332926.db2.gz YUGZFONXFDIYHF-NRFANRHFSA-N 1 1 415.494 3.022 20 5 HGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164778831 721332930 /nfs/dbraw/zinc/33/29/30/721332930.db2.gz YUGZFONXFDIYHF-NRFANRHFSA-N 1 1 415.494 3.022 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164786646 721400784 /nfs/dbraw/zinc/40/07/84/721400784.db2.gz OMBJIZCKDXPTFG-UWVGGRQHSA-N 1 1 400.291 3.321 20 5 HGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(C)n1)CC2 ZINC001164783548 721450764 /nfs/dbraw/zinc/45/07/64/721450764.db2.gz CGXHQCKJGAAIBS-LJQANCHMSA-N 1 1 418.538 3.032 20 5 HGBDMO COc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ccc1[N+](=O)[O-] ZINC001164908923 721748689 /nfs/dbraw/zinc/74/86/89/721748689.db2.gz OMCHZVJENNAETR-UHFFFAOYSA-N 1 1 409.446 3.181 20 5 HGBDMO COc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ccc1[N+](=O)[O-] ZINC001164908923 721748696 /nfs/dbraw/zinc/74/86/96/721748696.db2.gz OMCHZVJENNAETR-UHFFFAOYSA-N 1 1 409.446 3.181 20 5 HGBDMO COc1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165021672 721810011 /nfs/dbraw/zinc/81/00/11/721810011.db2.gz FYVBSHJWOBPJRQ-UHOSZYNNSA-N 1 1 411.506 3.439 20 5 HGBDMO CN(C)/C=C\c1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164955901 722021812 /nfs/dbraw/zinc/02/18/12/722021812.db2.gz RSDOAURQQQLQLK-YHYXMXQVSA-N 1 1 422.533 3.410 20 5 HGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164982724 722136266 /nfs/dbraw/zinc/13/62/66/722136266.db2.gz SFBNFRVLJTYYLF-KNQAVFIVSA-N 1 1 419.485 3.265 20 5 HGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164630921 719086935 /nfs/dbraw/zinc/08/69/35/719086935.db2.gz XNZFIDJDMSSUEE-FXAWDEMLSA-N 1 1 410.474 3.267 20 5 HGBDMO C[N@H+]1CCO[C@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001164667773 719394207 /nfs/dbraw/zinc/39/42/07/719394207.db2.gz PJBGUMQZOHUOGZ-RDJZCZTQSA-N 1 1 408.817 3.094 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164728483 720359127 /nfs/dbraw/zinc/35/91/27/720359127.db2.gz VUSAOEYHHHFPGM-ROUUACIJSA-N 1 1 410.865 3.440 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726601 720359199 /nfs/dbraw/zinc/35/91/99/720359199.db2.gz PYZOYUPJWRODEJ-IAGOWNOFSA-N 1 1 410.865 3.440 20 5 HGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)ccc1F ZINC001164729500 720466234 /nfs/dbraw/zinc/46/62/34/720466234.db2.gz RGDWTQYGNJIESC-PMACEKPBSA-N 1 1 420.448 3.439 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834933 720510528 /nfs/dbraw/zinc/51/05/28/720510528.db2.gz IKYYSGQTMJORNS-UWWQBHOKSA-N 1 1 404.902 3.218 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835614 720635313 /nfs/dbraw/zinc/63/53/13/720635313.db2.gz BUNVYBQNTIAUNG-ZIFCJYIRSA-N 1 1 421.505 3.112 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907806 721526905 /nfs/dbraw/zinc/52/69/05/721526905.db2.gz OPIPRHVFTMQAKZ-ZBFHGGJFSA-N 1 1 406.845 3.433 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]12 ZINC001164800593 721550614 /nfs/dbraw/zinc/55/06/14/721550614.db2.gz CNTIMZRTBPGIQX-MQSCRBSSSA-N 1 1 419.485 3.406 20 5 HGBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164909931 721563158 /nfs/dbraw/zinc/56/31/58/721563158.db2.gz VQWAFLCFUJXDKJ-NVXWUHKLSA-N 1 1 409.421 3.019 20 5 HGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]12 ZINC001164799659 721573198 /nfs/dbraw/zinc/57/31/98/721573198.db2.gz DBHUMLGLOQJMQL-BDTNDASRSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]12 ZINC001164799659 721573199 /nfs/dbraw/zinc/57/31/99/721573199.db2.gz DBHUMLGLOQJMQL-BDTNDASRSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@@H]12 ZINC001164811969 721590328 /nfs/dbraw/zinc/59/03/28/721590328.db2.gz ZFQTVWDTSBLJTG-BHDDXSALSA-N 1 1 419.485 3.406 20 5 HGBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c21 ZINC001164959945 722024067 /nfs/dbraw/zinc/02/40/67/722024067.db2.gz KBGQBJYCMVARFA-UHFFFAOYSA-N 1 1 404.474 3.426 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960498 722052606 /nfs/dbraw/zinc/05/26/06/722052606.db2.gz PWQBEBQUYNTSFD-UHFFFAOYSA-N 1 1 417.897 3.157 20 5 HGBDMO Cc1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164973903 722109295 /nfs/dbraw/zinc/10/92/95/722109295.db2.gz HXJUEPCSPLXEIA-DLBZAZTESA-N 1 1 417.897 3.074 20 5 HGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982628 722130598 /nfs/dbraw/zinc/13/05/98/722130598.db2.gz RUXFIHCWNKOXLI-SIKLNZKXSA-N 1 1 419.485 3.265 20 5 HGBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993831 722199451 /nfs/dbraw/zinc/19/94/51/722199451.db2.gz CEOZJDUXTOHTQW-HXUWFJFHSA-N 1 1 401.442 3.086 20 5 HGBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993831 722199455 /nfs/dbraw/zinc/19/94/55/722199455.db2.gz CEOZJDUXTOHTQW-HXUWFJFHSA-N 1 1 401.442 3.086 20 5 HGBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993829 722199810 /nfs/dbraw/zinc/19/98/10/722199810.db2.gz CEOZJDUXTOHTQW-FQEVSTJZSA-N 1 1 401.442 3.086 20 5 HGBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993829 722199812 /nfs/dbraw/zinc/19/98/12/722199812.db2.gz CEOZJDUXTOHTQW-FQEVSTJZSA-N 1 1 401.442 3.086 20 5 HGBDMO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001176598534 1126150296 /nfs/dbraw/zinc/15/02/96/1126150296.db2.gz LUYJEESGGFEXDE-LJQANCHMSA-N 1 1 402.838 3.382 20 5 HGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001473748890 1126198598 /nfs/dbraw/zinc/19/85/98/1126198598.db2.gz BBFCEGZOEVLDNP-DOTOQJQBSA-N 1 1 412.364 3.006 20 5 HGBDMO CCOC(=O)c1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164623444 719109103 /nfs/dbraw/zinc/10/91/03/719109103.db2.gz DDPPAPZCNDNGOI-HKUYNNGSSA-N 1 1 410.474 3.267 20 5 HGBDMO C[N@H+]1CCO[C@@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001164667769 719394430 /nfs/dbraw/zinc/39/44/30/719394430.db2.gz PJBGUMQZOHUOGZ-DOTOQJQBSA-N 1 1 408.817 3.094 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834050 720574737 /nfs/dbraw/zinc/57/47/37/720574737.db2.gz CJVDTWPLIAIISF-XYJFISCASA-N 1 1 409.494 3.045 20 5 HGBDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164900071 721525391 /nfs/dbraw/zinc/52/53/91/721525391.db2.gz NSWVFEKWCGCFFM-GDBMZVCRSA-N 1 1 406.845 3.433 20 5 HGBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164902867 721529790 /nfs/dbraw/zinc/52/97/90/721529790.db2.gz BMWKZUDLRTVQBH-WMZOPIPTSA-N 1 1 409.421 3.019 20 5 HGBDMO Cc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164808381 721543087 /nfs/dbraw/zinc/54/30/87/721543087.db2.gz RUIIIODFBHBFRD-BXWFABGCSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164808381 721543092 /nfs/dbraw/zinc/54/30/92/721543092.db2.gz RUIIIODFBHBFRD-BXWFABGCSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1Cl ZINC001164803076 721544957 /nfs/dbraw/zinc/54/49/57/721544957.db2.gz HWCDWGXWZNRNSH-BPQIPLTHSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1Cl ZINC001164803076 721544959 /nfs/dbraw/zinc/54/49/59/721544959.db2.gz HWCDWGXWZNRNSH-BPQIPLTHSA-N 1 1 417.897 3.215 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC001165020632 721813969 /nfs/dbraw/zinc/81/39/69/721813969.db2.gz CENAXLKZHDVTMA-HYVNUMGLSA-N 1 1 417.897 3.014 20 5 HGBDMO Cc1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164973911 722109003 /nfs/dbraw/zinc/10/90/03/722109003.db2.gz HXJUEPCSPLXEIA-SJORKVTESA-N 1 1 417.897 3.074 20 5 HGBDMO C[N@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001164669348 719485133 /nfs/dbraw/zinc/48/51/33/719485133.db2.gz SWANJRMFHHFCNV-IRLDBZIGSA-N 1 1 420.469 3.241 20 5 HGBDMO CSc1nc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164723125 720392319 /nfs/dbraw/zinc/39/23/19/720392319.db2.gz GEVJFVFJDNRLPC-STQMWFEESA-N 1 1 406.899 3.008 20 5 HGBDMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164723119 720392389 /nfs/dbraw/zinc/39/23/89/720392389.db2.gz GEVJFVFJDNRLPC-OLZOCXBDSA-N 1 1 406.899 3.008 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164723632 720482589 /nfs/dbraw/zinc/48/25/89/720482589.db2.gz CXJJAULYDTUMCV-DLBZAZTESA-N 1 1 410.865 3.440 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC[C@@H]21 ZINC001164836634 720563651 /nfs/dbraw/zinc/56/36/51/720563651.db2.gz KLNQDOOXXDQTPF-RYRKJORJSA-N 1 1 409.494 3.045 20 5 HGBDMO CC(C)Oc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164858777 721008190 /nfs/dbraw/zinc/00/81/90/721008190.db2.gz GSHFUHILNFUWLE-HNNXBMFYSA-N 1 1 402.499 3.395 20 5 HGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164867428 721073943 /nfs/dbraw/zinc/07/39/43/721073943.db2.gz IXTFAXUWNUPRHV-UXHICEINSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164786643 721401123 /nfs/dbraw/zinc/40/11/23/721401123.db2.gz OMBJIZCKDXPTFG-NXEZZACHSA-N 1 1 400.291 3.321 20 5 HGBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nn1 ZINC001164788851 721430518 /nfs/dbraw/zinc/43/05/18/721430518.db2.gz TUWNMTVCLMYMHA-GJZGRUSLSA-N 1 1 408.487 3.077 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)[C@@H]2CCCO[C@H]12 ZINC001164800598 721551023 /nfs/dbraw/zinc/55/10/23/721551023.db2.gz CNTIMZRTBPGIQX-XPNTWCBSSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@H]12 ZINC001164811972 721590377 /nfs/dbraw/zinc/59/03/77/721590377.db2.gz ZFQTVWDTSBLJTG-VSKRKVRLSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001165025927 721817716 /nfs/dbraw/zinc/81/77/16/721817716.db2.gz OHXRFGTXPRZPEF-ZTFGCOKTSA-N 1 1 417.897 3.014 20 5 HGBDMO Cc1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164973909 722109289 /nfs/dbraw/zinc/10/92/89/722109289.db2.gz HXJUEPCSPLXEIA-IRXDYDNUSA-N 1 1 417.897 3.074 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164994841 722196226 /nfs/dbraw/zinc/19/62/26/722196226.db2.gz QANUOXCIJVSXRY-LJQANCHMSA-N 1 1 401.398 3.282 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164994841 722196227 /nfs/dbraw/zinc/19/62/27/722196227.db2.gz QANUOXCIJVSXRY-LJQANCHMSA-N 1 1 401.398 3.282 20 5 HGBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC3)cs1 ZINC001164693461 719803771 /nfs/dbraw/zinc/80/37/71/719803771.db2.gz SZYZPXFSZTWHRP-UHFFFAOYSA-N 1 1 408.915 3.438 20 5 HGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696138 719888070 /nfs/dbraw/zinc/88/80/70/719888070.db2.gz ZDGKYFOQPCJXMD-UHFFFAOYSA-N 1 1 423.926 3.280 20 5 HGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164696138 719888074 /nfs/dbraw/zinc/88/80/74/719888074.db2.gz ZDGKYFOQPCJXMD-UHFFFAOYSA-N 1 1 423.926 3.280 20 5 HGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cnc1Cl ZINC001164727289 720335150 /nfs/dbraw/zinc/33/51/50/720335150.db2.gz SRQRSSZVSICDAA-CABCVRRESA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cnc1Cl ZINC001164727289 720335153 /nfs/dbraw/zinc/33/51/53/720335153.db2.gz SRQRSSZVSICDAA-CABCVRRESA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1Cl ZINC001164730366 720355136 /nfs/dbraw/zinc/35/51/36/720355136.db2.gz ZDLKFWBFWGOGED-KGLIPLIRSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1Cl ZINC001164730366 720355141 /nfs/dbraw/zinc/35/51/41/720355141.db2.gz ZDLKFWBFWGOGED-KGLIPLIRSA-N 1 1 409.824 3.436 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834932 720509942 /nfs/dbraw/zinc/50/99/42/720509942.db2.gz IKYYSGQTMJORNS-QILLFSRXSA-N 1 1 404.902 3.218 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868401 721067497 /nfs/dbraw/zinc/06/74/97/721067497.db2.gz OIKJWWMIJQFPLO-KBPBESRZSA-N 1 1 424.288 3.171 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2ccccc21 ZINC001164866920 721078868 /nfs/dbraw/zinc/07/88/68/721078868.db2.gz VDKIOQULWGIPHZ-ROUUACIJSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865988 721115146 /nfs/dbraw/zinc/11/51/46/721115146.db2.gz QUCZCCSBBHLKPE-RBUKOAKNSA-N 1 1 405.458 3.018 20 5 HGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164762857 721238106 /nfs/dbraw/zinc/23/81/06/721238106.db2.gz LOMCJANNZNLEQG-PMACEKPBSA-N 1 1 418.501 3.349 20 5 HGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164762861 721238322 /nfs/dbraw/zinc/23/83/22/721238322.db2.gz LOMCJANNZNLEQG-UXHICEINSA-N 1 1 418.501 3.349 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164804489 721545107 /nfs/dbraw/zinc/54/51/07/721545107.db2.gz JZYOPEDNZQLOCS-MQSCRBSSSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)[C@H]2CCCO[C@@H]12 ZINC001164800595 721550891 /nfs/dbraw/zinc/55/08/91/721550891.db2.gz CNTIMZRTBPGIQX-QZNHQXDQSA-N 1 1 419.485 3.406 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(F)c1 ZINC001164908500 721697739 /nfs/dbraw/zinc/69/77/39/721697739.db2.gz ZNDCNRUPRWNGMF-GOSISDBHSA-N 1 1 407.396 3.262 20 5 HGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982633 722130999 /nfs/dbraw/zinc/13/09/99/722130999.db2.gz RUXFIHCWNKOXLI-UGKGYDQZSA-N 1 1 419.485 3.265 20 5 HGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C2 ZINC001164814772 720092488 /nfs/dbraw/zinc/09/24/88/720092488.db2.gz WOBRGSQVFJCHRP-SCLBCKFNSA-N 1 1 415.321 3.481 20 5 HGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001164819375 720181269 /nfs/dbraw/zinc/18/12/69/720181269.db2.gz WRFMYGOTRZGKKR-JPYJTQIMSA-N 1 1 423.517 3.237 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164728481 720359476 /nfs/dbraw/zinc/35/94/76/720359476.db2.gz VUSAOEYHHHFPGM-MSOLQXFVSA-N 1 1 410.865 3.440 20 5 HGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164727782 720363737 /nfs/dbraw/zinc/36/37/37/720363737.db2.gz RJYXQDKVMVYOIH-JKSUJKDBSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164727782 720363740 /nfs/dbraw/zinc/36/37/40/720363740.db2.gz RJYXQDKVMVYOIH-JKSUJKDBSA-N 1 1 409.824 3.436 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164839473 720510201 /nfs/dbraw/zinc/51/02/01/720510201.db2.gz UVFXDKFZQSCLIC-PVAVHDDUSA-N 1 1 404.902 3.218 20 5 HGBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164843310 720660656 /nfs/dbraw/zinc/66/06/56/720660656.db2.gz VYZHAQLXICUPHN-MRXNPFEDSA-N 1 1 417.897 3.298 20 5 HGBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164842697 720681704 /nfs/dbraw/zinc/68/17/04/720681704.db2.gz MUDXXRHJRVUEFC-GOSISDBHSA-N 1 1 400.454 3.389 20 5 HGBDMO COc1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c([N+](=O)[O-])c1 ZINC001164843287 720687639 /nfs/dbraw/zinc/68/76/39/720687639.db2.gz NGMZVMVTUGYZHY-SFHVURJKSA-N 1 1 412.490 3.258 20 5 HGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)[C@@H]2C ZINC001164857164 721000513 /nfs/dbraw/zinc/00/05/13/721000513.db2.gz CNPKMRYVEDWGJT-XITLMJRVSA-N 1 1 413.526 3.140 20 5 HGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869259 721186969 /nfs/dbraw/zinc/18/69/69/721186969.db2.gz PREXHSNZSYNLHU-UXHICEINSA-N 1 1 405.458 3.018 20 5 HGBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164793160 721490043 /nfs/dbraw/zinc/49/00/43/721490043.db2.gz OBMLPMMKBDRPLN-UHFFFAOYSA-N 1 1 402.886 3.314 20 5 HGBDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164900073 721525289 /nfs/dbraw/zinc/52/52/89/721525289.db2.gz NSWVFEKWCGCFFM-HOCLYGCPSA-N 1 1 406.845 3.433 20 5 HGBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908348 721692545 /nfs/dbraw/zinc/69/25/45/721692545.db2.gz YKHVKORGNIUMRR-GOSISDBHSA-N 1 1 407.396 3.262 20 5 HGBDMO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165023324 721800255 /nfs/dbraw/zinc/80/02/55/721800255.db2.gz JLBSKZHAPYMWGY-BHYGNILZSA-N 1 1 416.913 3.479 20 5 HGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000609707775 1126100856 /nfs/dbraw/zinc/10/08/56/1126100856.db2.gz YBTVIPWOVAVFJC-FUHWJXTLSA-N 1 1 412.364 3.085 20 5 HGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1Cl ZINC001164730369 720354130 /nfs/dbraw/zinc/35/41/30/720354130.db2.gz ZDLKFWBFWGOGED-UONOGXRCSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1Cl ZINC001164730369 720354134 /nfs/dbraw/zinc/35/41/34/720354134.db2.gz ZDLKFWBFWGOGED-UONOGXRCSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)ccc1F ZINC001164729501 720466881 /nfs/dbraw/zinc/46/68/81/720466881.db2.gz RGDWTQYGNJIESC-UXHICEINSA-N 1 1 420.448 3.439 20 5 HGBDMO O=[N+]([O-])c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164749040 720870825 /nfs/dbraw/zinc/87/08/25/720870825.db2.gz GLGMPXBCFHXJAB-OFNKIYASSA-N 1 1 423.517 3.140 20 5 HGBDMO O=[N+]([O-])c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164749041 720871159 /nfs/dbraw/zinc/87/11/59/720871159.db2.gz GLGMPXBCFHXJAB-REWPJTCUSA-N 1 1 423.517 3.140 20 5 HGBDMO Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164869100 721065059 /nfs/dbraw/zinc/06/50/59/721065059.db2.gz ROUALPCGJDMWTM-VQTJNVASSA-N 1 1 419.485 3.326 20 5 HGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164869741 721129450 /nfs/dbraw/zinc/12/94/50/721129450.db2.gz ANCIUYHRRUUIHK-WOJBJXKFSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164784231 721401677 /nfs/dbraw/zinc/40/16/77/721401677.db2.gz JHVHIEHGZGFAMF-VXGBXAGGSA-N 1 1 416.894 3.216 20 5 HGBDMO Cc1ccc(-c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164784011 721420356 /nfs/dbraw/zinc/42/03/56/721420356.db2.gz JTYSLLSPYZLXIO-IRXDYDNUSA-N 1 1 422.514 3.385 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907802 721526679 /nfs/dbraw/zinc/52/66/79/721526679.db2.gz OPIPRHVFTMQAKZ-GOEBONIOSA-N 1 1 406.845 3.433 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164801591 721546061 /nfs/dbraw/zinc/54/60/61/721546061.db2.gz FUFYHRYNALGTQI-JENIJYKNSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164801591 721546063 /nfs/dbraw/zinc/54/60/63/721546063.db2.gz FUFYHRYNALGTQI-JENIJYKNSA-N 1 1 417.897 3.215 20 5 HGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164803664 721548900 /nfs/dbraw/zinc/54/89/00/721548900.db2.gz IQAGLVPLVNTQDZ-CEMLEFRQSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164803664 721548901 /nfs/dbraw/zinc/54/89/01/721548901.db2.gz IQAGLVPLVNTQDZ-CEMLEFRQSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164803666 721549604 /nfs/dbraw/zinc/54/96/04/721549604.db2.gz IQAGLVPLVNTQDZ-KSEOMHKRSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164803666 721549607 /nfs/dbraw/zinc/54/96/07/721549607.db2.gz IQAGLVPLVNTQDZ-KSEOMHKRSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001165025099 721800711 /nfs/dbraw/zinc/80/07/11/721800711.db2.gz NNMKLGHPXKIJPB-NUEKZKHPSA-N 1 1 402.886 3.170 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC001165023365 721807071 /nfs/dbraw/zinc/80/70/71/721807071.db2.gz JQGIBTDBYNFMKW-ZTFGCOKTSA-N 1 1 412.450 3.030 20 5 HGBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)ncc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164937888 721921232 /nfs/dbraw/zinc/92/12/32/721921232.db2.gz GUOSQVQXQFYFRA-UHFFFAOYSA-N 1 1 417.897 3.218 20 5 HGBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164992839 722193915 /nfs/dbraw/zinc/19/39/15/722193915.db2.gz BDDCRJZZPPQFEG-OAQYLSRUSA-N 1 1 414.437 3.160 20 5 HGBDMO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001176598521 1126150308 /nfs/dbraw/zinc/15/03/08/1126150308.db2.gz LUYJEESGGFEXDE-IBGZPJMESA-N 1 1 402.838 3.382 20 5 HGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1C)CC2 ZINC001164709760 720095712 /nfs/dbraw/zinc/09/57/12/720095712.db2.gz DACMRXDUZZHZSM-FQEVSTJZSA-N 1 1 411.506 3.201 20 5 HGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164727778 720363910 /nfs/dbraw/zinc/36/39/10/720363910.db2.gz RJYXQDKVMVYOIH-HZPDHXFCSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164727778 720363920 /nfs/dbraw/zinc/36/39/20/720363920.db2.gz RJYXQDKVMVYOIH-HZPDHXFCSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781041 721407061 /nfs/dbraw/zinc/40/70/61/721407061.db2.gz AHSPXLWLIDZCDV-UWVGGRQHSA-N 1 1 400.291 3.321 20 5 HGBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nn1 ZINC001164788854 721430834 /nfs/dbraw/zinc/43/08/34/721430834.db2.gz TUWNMTVCLMYMHA-HUUCEWRRSA-N 1 1 408.487 3.077 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164801589 721545761 /nfs/dbraw/zinc/54/57/61/721545761.db2.gz FUFYHRYNALGTQI-AOIWGVFYSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164801589 721545764 /nfs/dbraw/zinc/54/57/64/721545764.db2.gz FUFYHRYNALGTQI-AOIWGVFYSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164801592 721546134 /nfs/dbraw/zinc/54/61/34/721546134.db2.gz FUFYHRYNALGTQI-LNLFQRSKSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164801592 721546135 /nfs/dbraw/zinc/54/61/35/721546135.db2.gz FUFYHRYNALGTQI-LNLFQRSKSA-N 1 1 417.897 3.215 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)[C@@H]2CCCO[C@H]12 ZINC001164808444 721549788 /nfs/dbraw/zinc/54/97/88/721549788.db2.gz SJCMCKBWYVBNPZ-VIZSFHNOSA-N 1 1 419.485 3.406 20 5 HGBDMO Cc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164907464 721692677 /nfs/dbraw/zinc/69/26/77/721692677.db2.gz TYUVSSDKYQCAMM-LJQANCHMSA-N 1 1 403.433 3.431 20 5 HGBDMO COc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1 ZINC001164907505 721701051 /nfs/dbraw/zinc/70/10/51/721701051.db2.gz UYEHTURSYGZCSU-IBGZPJMESA-N 1 1 419.432 3.131 20 5 HGBDMO Cc1nc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164704352 719886844 /nfs/dbraw/zinc/88/68/44/719886844.db2.gz VUIKUGVFEZMODH-UHFFFAOYSA-N 1 1 423.926 3.280 20 5 HGBDMO Cc1nc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164704352 719886845 /nfs/dbraw/zinc/88/68/45/719886845.db2.gz VUIKUGVFEZMODH-UHFFFAOYSA-N 1 1 423.926 3.280 20 5 HGBDMO COc1cc(C)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164696146 719891345 /nfs/dbraw/zinc/89/13/45/719891345.db2.gz ZPSYXSFCIRAMGV-UHFFFAOYSA-N 1 1 418.519 3.240 20 5 HGBDMO COc1cc(C)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164696146 719891348 /nfs/dbraw/zinc/89/13/48/719891348.db2.gz ZPSYXSFCIRAMGV-UHFFFAOYSA-N 1 1 418.519 3.240 20 5 HGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164710372 720105079 /nfs/dbraw/zinc/10/50/79/720105079.db2.gz JIDQTCYUHCSQGN-GOSISDBHSA-N 1 1 415.469 3.031 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840006 720508325 /nfs/dbraw/zinc/50/83/25/720508325.db2.gz VTBKONRZSODLPY-BHYGNILZSA-N 1 1 404.902 3.218 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838040 720536242 /nfs/dbraw/zinc/53/62/42/720536242.db2.gz NJIRNMYVTRVRPE-PLMTUMEDSA-N 1 1 421.505 3.112 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC[C@@H]21 ZINC001164836632 720564841 /nfs/dbraw/zinc/56/48/41/720564841.db2.gz KLNQDOOXXDQTPF-BQFCYCMXSA-N 1 1 409.494 3.045 20 5 HGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164867200 721081791 /nfs/dbraw/zinc/08/17/91/721081791.db2.gz WUOFREMYMRAEDK-RBUKOAKNSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781040 721407386 /nfs/dbraw/zinc/40/73/86/721407386.db2.gz AHSPXLWLIDZCDV-NXEZZACHSA-N 1 1 400.291 3.321 20 5 HGBDMO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164783449 721429748 /nfs/dbraw/zinc/42/97/48/721429748.db2.gz IPGRKTAQAXKDHI-CALCHBBNSA-N 1 1 422.514 3.385 20 5 HGBDMO Cc1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164783449 721429753 /nfs/dbraw/zinc/42/97/53/721429753.db2.gz IPGRKTAQAXKDHI-CALCHBBNSA-N 1 1 422.514 3.385 20 5 HGBDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164900074 721525148 /nfs/dbraw/zinc/52/51/48/721525148.db2.gz NSWVFEKWCGCFFM-ZBFHGGJFSA-N 1 1 406.845 3.433 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907800 721527202 /nfs/dbraw/zinc/52/72/02/721527202.db2.gz OPIPRHVFTMQAKZ-GDBMZVCRSA-N 1 1 406.845 3.433 20 5 HGBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164909933 721563933 /nfs/dbraw/zinc/56/39/33/721563933.db2.gz VQWAFLCFUJXDKJ-RDJZCZTQSA-N 1 1 409.421 3.019 20 5 HGBDMO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1 ZINC001164907992 721584698 /nfs/dbraw/zinc/58/46/98/721584698.db2.gz XTOHMXQQVLCBGQ-IBGZPJMESA-N 1 1 403.433 3.431 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@H]12 ZINC001164811966 721590429 /nfs/dbraw/zinc/59/04/29/721590429.db2.gz ZFQTVWDTSBLJTG-BDTNDASRSA-N 1 1 419.485 3.406 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(F)c1 ZINC001164908502 721698493 /nfs/dbraw/zinc/69/84/93/721698493.db2.gz ZNDCNRUPRWNGMF-SFHVURJKSA-N 1 1 407.396 3.262 20 5 HGBDMO COc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164903594 721699259 /nfs/dbraw/zinc/69/92/59/721699259.db2.gz AQBWCTJTMRGVPN-IBGZPJMESA-N 1 1 419.432 3.131 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2ccccc21 ZINC001164971899 722112161 /nfs/dbraw/zinc/11/21/61/722112161.db2.gz DCJBTNXJQPVCQK-GCJKJVERSA-N 1 1 419.485 3.265 20 5 HGBDMO C[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001164669346 719485650 /nfs/dbraw/zinc/48/56/50/719485650.db2.gz SWANJRMFHHFCNV-IFMALSPDSA-N 1 1 420.469 3.241 20 5 HGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1Cl ZINC001164730372 720354855 /nfs/dbraw/zinc/35/48/55/720354855.db2.gz ZDLKFWBFWGOGED-ZIAGYGMSSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1Cl ZINC001164730372 720354859 /nfs/dbraw/zinc/35/48/59/720354859.db2.gz ZDLKFWBFWGOGED-ZIAGYGMSSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164727777 720365119 /nfs/dbraw/zinc/36/51/19/720365119.db2.gz RJYXQDKVMVYOIH-HOTGVXAUSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164727777 720365124 /nfs/dbraw/zinc/36/51/24/720365124.db2.gz RJYXQDKVMVYOIH-HOTGVXAUSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nn1 ZINC001164735729 720455417 /nfs/dbraw/zinc/45/54/17/720455417.db2.gz YDFGAKPSVXZAQU-RTWAWAEBSA-N 1 1 402.458 3.300 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC[C@@H]21 ZINC001164834048 720575885 /nfs/dbraw/zinc/57/58/85/720575885.db2.gz CJVDTWPLIAIISF-RYRKJORJSA-N 1 1 409.494 3.045 20 5 HGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865989 721113992 /nfs/dbraw/zinc/11/39/92/721113992.db2.gz QUCZCCSBBHLKPE-RTBURBONSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164869738 721129982 /nfs/dbraw/zinc/12/99/82/721129982.db2.gz ANCIUYHRRUUIHK-PMACEKPBSA-N 1 1 405.458 3.018 20 5 HGBDMO COc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164907508 721693340 /nfs/dbraw/zinc/69/33/40/721693340.db2.gz UYLSWUJSFDDGRC-LJQANCHMSA-N 1 1 419.432 3.131 20 5 HGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C2 ZINC001164814774 720092933 /nfs/dbraw/zinc/09/29/33/720092933.db2.gz WOBRGSQVFJCHRP-UGSOOPFHSA-N 1 1 415.321 3.481 20 5 HGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001164814409 720161643 /nfs/dbraw/zinc/16/16/43/720161643.db2.gz GEGFMPLGCJCMSO-CVDCTZTESA-N 1 1 423.517 3.237 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833255 720519066 /nfs/dbraw/zinc/51/90/66/720519066.db2.gz CIERZGYTIOVCGE-HRCADAONSA-N 1 1 404.902 3.218 20 5 HGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@H]2C ZINC001164857162 720999537 /nfs/dbraw/zinc/99/95/37/720999537.db2.gz CNPKMRYVEDWGJT-WAVCKPEOSA-N 1 1 413.526 3.140 20 5 HGBDMO CC(C)Oc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)ccc1[N+](=O)[O-] ZINC001164858778 721009511 /nfs/dbraw/zinc/00/95/11/721009511.db2.gz GSHFUHILNFUWLE-OAHLLOKOSA-N 1 1 402.499 3.395 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164784222 721401632 /nfs/dbraw/zinc/40/16/32/721401632.db2.gz JHVHIEHGZGFAMF-TXEJJXNPSA-N 1 1 416.894 3.216 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164784222 721401634 /nfs/dbraw/zinc/40/16/34/721401634.db2.gz JHVHIEHGZGFAMF-TXEJJXNPSA-N 1 1 416.894 3.216 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164808443 721549846 /nfs/dbraw/zinc/54/98/46/721549846.db2.gz SJCMCKBWYVBNPZ-TXTKFYIRSA-N 1 1 419.485 3.406 20 5 HGBDMO COc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-] ZINC001164910015 721752662 /nfs/dbraw/zinc/75/26/62/721752662.db2.gz YBSSKWYUCFGQGN-UHFFFAOYSA-N 1 1 409.446 3.181 20 5 HGBDMO COc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-] ZINC001164910015 721752664 /nfs/dbraw/zinc/75/26/64/721752664.db2.gz YBSSKWYUCFGQGN-UHFFFAOYSA-N 1 1 409.446 3.181 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001165025097 721800763 /nfs/dbraw/zinc/80/07/63/721800763.db2.gz NNMKLGHPXKIJPB-FVQBIDKESA-N 1 1 402.886 3.170 20 5 HGBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nn2)cc1 ZINC001165044441 721959504 /nfs/dbraw/zinc/95/95/04/721959504.db2.gz LKQITQOHGRTTDR-UHFFFAOYSA-N 1 1 405.458 3.253 20 5 HGBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953749 722016233 /nfs/dbraw/zinc/01/62/33/722016233.db2.gz XXPJXWXHLBKFRD-UHFFFAOYSA-N 1 1 404.474 3.426 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994469 722203513 /nfs/dbraw/zinc/20/35/13/722203513.db2.gz HLSYVUABNLYMTM-IBGZPJMESA-N 1 1 406.845 3.266 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994469 722203516 /nfs/dbraw/zinc/20/35/16/722203516.db2.gz HLSYVUABNLYMTM-IBGZPJMESA-N 1 1 406.845 3.266 20 5 HGBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692793 719808698 /nfs/dbraw/zinc/80/86/98/719808698.db2.gz MRVRCYJMALFHRK-UHFFFAOYSA-N 1 1 418.523 3.102 20 5 HGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1C)CC2 ZINC001164709761 720095364 /nfs/dbraw/zinc/09/53/64/720095364.db2.gz DACMRXDUZZHZSM-HXUWFJFHSA-N 1 1 411.506 3.201 20 5 HGBDMO CSc1nc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164723122 720392053 /nfs/dbraw/zinc/39/20/53/720392053.db2.gz GEVJFVFJDNRLPC-QWHCGFSZSA-N 1 1 406.899 3.008 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164723638 720482611 /nfs/dbraw/zinc/48/26/11/720482611.db2.gz CXJJAULYDTUMCV-SJORKVTESA-N 1 1 410.865 3.440 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])CC[C@@H]21 ZINC001164833256 720518823 /nfs/dbraw/zinc/51/88/23/720518823.db2.gz CIERZGYTIOVCGE-JYJNAYRXSA-N 1 1 404.902 3.218 20 5 HGBDMO COc1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c([N+](=O)[O-])c1 ZINC001164843285 720687259 /nfs/dbraw/zinc/68/72/59/720687259.db2.gz NGMZVMVTUGYZHY-GOSISDBHSA-N 1 1 412.490 3.258 20 5 HGBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164902857 721529138 /nfs/dbraw/zinc/52/91/38/721529138.db2.gz BMWKZUDLRTVQBH-AEFFLSMTSA-N 1 1 409.421 3.019 20 5 HGBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164909928 721563209 /nfs/dbraw/zinc/56/32/09/721563209.db2.gz VQWAFLCFUJXDKJ-DOTOQJQBSA-N 1 1 409.421 3.019 20 5 HGBDMO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164904166 721584725 /nfs/dbraw/zinc/58/47/25/721584725.db2.gz DKSKGCADJHGSLZ-IBGZPJMESA-N 1 1 403.433 3.431 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@@H]12 ZINC001164811975 721590393 /nfs/dbraw/zinc/59/03/93/721590393.db2.gz ZFQTVWDTSBLJTG-YPAWHYETSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC001165020634 721814151 /nfs/dbraw/zinc/81/41/51/721814151.db2.gz CENAXLKZHDVTMA-USXIJHARSA-N 1 1 417.897 3.014 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001165025926 721817438 /nfs/dbraw/zinc/81/74/38/721817438.db2.gz OHXRFGTXPRZPEF-JCGIZDLHSA-N 1 1 417.897 3.014 20 5 HGBDMO COc1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ncc1[N+](=O)[O-] ZINC001164938976 721925144 /nfs/dbraw/zinc/92/51/44/721925144.db2.gz FNAXGJJVSSHEFV-UHFFFAOYSA-N 1 1 412.490 3.178 20 5 HGBDMO Cc1nc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-] ZINC001164954841 722012655 /nfs/dbraw/zinc/01/26/55/722012655.db2.gz PCWVENAOOFWLHP-UHFFFAOYSA-N 1 1 402.886 3.234 20 5 HGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164983630 722113548 /nfs/dbraw/zinc/11/35/48/722113548.db2.gz YRWFUXCWQKLZJE-TZIWHRDSSA-N 1 1 419.485 3.265 20 5 HGBDMO COC(=O)c1ccnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164993804 722201502 /nfs/dbraw/zinc/20/15/02/722201502.db2.gz BTBXSVVQNJMWSM-NRFANRHFSA-N 1 1 414.437 3.160 20 5 HGBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164650496 719314752 /nfs/dbraw/zinc/31/47/52/719314752.db2.gz FIHBTYQEDULXQA-UHFFFAOYSA-N 1 1 421.505 3.454 20 5 HGBDMO O=[N+]([O-])c1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc2[nH]ccc21 ZINC001164697601 719896329 /nfs/dbraw/zinc/89/63/29/719896329.db2.gz LWEAOBDKLJDFJB-UHFFFAOYSA-N 1 1 413.503 3.404 20 5 HGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164718018 720111117 /nfs/dbraw/zinc/11/11/17/720111117.db2.gz QEXYXLRKYRRGHB-GOSISDBHSA-N 1 1 415.469 3.031 20 5 HGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001164814410 720161703 /nfs/dbraw/zinc/16/17/03/720161703.db2.gz GEGFMPLGCJCMSO-WMZHIEFXSA-N 1 1 423.517 3.237 20 5 HGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001164819377 720180699 /nfs/dbraw/zinc/18/06/99/720180699.db2.gz WRFMYGOTRZGKKR-MBSDFSHPSA-N 1 1 423.517 3.237 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164723636 720482667 /nfs/dbraw/zinc/48/26/67/720482667.db2.gz CXJJAULYDTUMCV-IRXDYDNUSA-N 1 1 410.865 3.440 20 5 HGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164844233 720672940 /nfs/dbraw/zinc/67/29/40/720672940.db2.gz ZAQHBYHLCFNIII-SFHVURJKSA-N 1 1 400.454 3.389 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2ccccc21 ZINC001164866919 721079527 /nfs/dbraw/zinc/07/95/27/721079527.db2.gz VDKIOQULWGIPHZ-QZTJIDSGSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869260 721189034 /nfs/dbraw/zinc/18/90/34/721189034.db2.gz PREXHSNZSYNLHU-VQTJNVASSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164786534 721438283 /nfs/dbraw/zinc/43/82/83/721438283.db2.gz VHORKLFBEKAEOU-TXEJJXNPSA-N 1 1 416.894 3.216 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164786534 721438286 /nfs/dbraw/zinc/43/82/86/721438286.db2.gz VHORKLFBEKAEOU-TXEJJXNPSA-N 1 1 416.894 3.216 20 5 HGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C)c1[N+](=O)[O-])CC2 ZINC001164784442 721453679 /nfs/dbraw/zinc/45/36/79/721453679.db2.gz FGVNJMGVVOEGHD-LJQANCHMSA-N 1 1 418.538 3.032 20 5 HGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164803665 721549487 /nfs/dbraw/zinc/54/94/87/721549487.db2.gz IQAGLVPLVNTQDZ-FCEUIQTBSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164803665 721549489 /nfs/dbraw/zinc/54/94/89/721549489.db2.gz IQAGLVPLVNTQDZ-FCEUIQTBSA-N 1 1 419.485 3.406 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164979153 722109595 /nfs/dbraw/zinc/10/95/95/722109595.db2.gz PFMAAFHPASJIKT-WMZOPIPTSA-N 1 1 417.897 3.074 20 5 HGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630923 719086928 /nfs/dbraw/zinc/08/69/28/719086928.db2.gz XNZFIDJDMSSUEE-XLIONFOSSA-N 1 1 410.474 3.267 20 5 HGBDMO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)n2)cc1[N+](=O)[O-] ZINC001164669204 719444996 /nfs/dbraw/zinc/44/49/96/719444996.db2.gz LEMOYKFDOIEQCY-SJORKVTESA-N 1 1 411.487 3.094 20 5 HGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164718019 720110244 /nfs/dbraw/zinc/11/02/44/720110244.db2.gz QEXYXLRKYRRGHB-SFHVURJKSA-N 1 1 415.469 3.031 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164728484 720359163 /nfs/dbraw/zinc/35/91/63/720359163.db2.gz VUSAOEYHHHFPGM-ZWKOTPCHSA-N 1 1 410.865 3.440 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC001164838037 720536240 /nfs/dbraw/zinc/53/62/40/720536240.db2.gz NJIRNMYVTRVRPE-MMOPVJDHSA-N 1 1 421.505 3.112 20 5 HGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869258 721186373 /nfs/dbraw/zinc/18/63/73/721186373.db2.gz PREXHSNZSYNLHU-PMACEKPBSA-N 1 1 405.458 3.018 20 5 HGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164762866 721238347 /nfs/dbraw/zinc/23/83/47/721238347.db2.gz LOMCJANNZNLEQG-VQTJNVASSA-N 1 1 418.501 3.349 20 5 HGBDMO Cc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164808382 721542835 /nfs/dbraw/zinc/54/28/35/721542835.db2.gz RUIIIODFBHBFRD-GJYPPUQNSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164808382 721542839 /nfs/dbraw/zinc/54/28/39/721542839.db2.gz RUIIIODFBHBFRD-GJYPPUQNSA-N 1 1 417.897 3.215 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)[C@H]2CCCO[C@H]12 ZINC001164808442 721550045 /nfs/dbraw/zinc/55/00/45/721550045.db2.gz SJCMCKBWYVBNPZ-MZKRTTBSSA-N 1 1 419.485 3.406 20 5 HGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907085 721584806 /nfs/dbraw/zinc/58/48/06/721584806.db2.gz RFTUJJGIYDOTDG-IBGZPJMESA-N 1 1 403.433 3.431 20 5 HGBDMO COc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1 ZINC001164907506 721701307 /nfs/dbraw/zinc/70/13/07/721701307.db2.gz UYEHTURSYGZCSU-LJQANCHMSA-N 1 1 419.432 3.131 20 5 HGBDMO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165023327 721800323 /nfs/dbraw/zinc/80/03/23/721800323.db2.gz JLBSKZHAPYMWGY-XIRDDKMYSA-N 1 1 416.913 3.479 20 5 HGBDMO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165023325 721800345 /nfs/dbraw/zinc/80/03/45/721800345.db2.gz JLBSKZHAPYMWGY-UAGQMJEPSA-N 1 1 416.913 3.479 20 5 HGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164954182 722014866 /nfs/dbraw/zinc/01/48/66/722014866.db2.gz JTOQMZAOBBUKQQ-UHFFFAOYSA-N 1 1 402.886 3.234 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2ccccc21 ZINC001164971898 722112235 /nfs/dbraw/zinc/11/22/35/722112235.db2.gz DCJBTNXJQPVCQK-AVRDEDQJSA-N 1 1 419.485 3.265 20 5 HGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164982727 722136470 /nfs/dbraw/zinc/13/64/70/722136470.db2.gz SFBNFRVLJTYYLF-SIKLNZKXSA-N 1 1 419.485 3.265 20 5 HGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164975484 722155997 /nfs/dbraw/zinc/15/59/97/722155997.db2.gz SZZLGSRRSCSPJK-SIKLNZKXSA-N 1 1 419.485 3.265 20 5 HGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001473748894 1126198687 /nfs/dbraw/zinc/19/86/87/1126198687.db2.gz BBFCEGZOEVLDNP-WBVHZDCISA-N 1 1 412.364 3.006 20 5 HGBDMO CCOC(=O)c1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164623447 719108808 /nfs/dbraw/zinc/10/88/08/719108808.db2.gz DDPPAPZCNDNGOI-MJGOQNOKSA-N 1 1 410.474 3.267 20 5 HGBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nn1 ZINC001164735728 720456395 /nfs/dbraw/zinc/45/63/95/720456395.db2.gz YDFGAKPSVXZAQU-NHCUHLMSSA-N 1 1 402.458 3.300 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840007 720508503 /nfs/dbraw/zinc/50/85/03/720508503.db2.gz VTBKONRZSODLPY-HYVNUMGLSA-N 1 1 404.902 3.218 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835612 720636225 /nfs/dbraw/zinc/63/62/25/720636225.db2.gz BUNVYBQNTIAUNG-JENIJYKNSA-N 1 1 421.505 3.112 20 5 HGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865986 721114346 /nfs/dbraw/zinc/11/43/46/721114346.db2.gz QUCZCCSBBHLKPE-MOPGFXCFSA-N 1 1 405.458 3.018 20 5 HGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3C)C2)C1 ZINC001164777408 721333909 /nfs/dbraw/zinc/33/39/09/721333909.db2.gz MZHJCUDWEILBBG-NRFANRHFSA-N 1 1 415.494 3.022 20 5 HGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3C)C2)C1 ZINC001164777408 721333912 /nfs/dbraw/zinc/33/39/12/721333912.db2.gz MZHJCUDWEILBBG-NRFANRHFSA-N 1 1 415.494 3.022 20 5 HGBDMO Cc1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164784005 721420324 /nfs/dbraw/zinc/42/03/24/721420324.db2.gz JTYSLLSPYZLXIO-CALCHBBNSA-N 1 1 422.514 3.385 20 5 HGBDMO Cc1ccc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164784005 721420327 /nfs/dbraw/zinc/42/03/27/721420327.db2.gz JTYSLLSPYZLXIO-CALCHBBNSA-N 1 1 422.514 3.385 20 5 HGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC001164783229 721450738 /nfs/dbraw/zinc/45/07/38/721450738.db2.gz AHFLOCIOKBYXAU-LJQANCHMSA-N 1 1 418.538 3.032 20 5 HGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1C)CC2 ZINC001164788750 721450754 /nfs/dbraw/zinc/45/07/54/721450754.db2.gz UCUBJJFECGODRC-FQEVSTJZSA-N 1 1 418.538 3.032 20 5 HGBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164902864 721529614 /nfs/dbraw/zinc/52/96/14/721529614.db2.gz BMWKZUDLRTVQBH-SJLPKXTDSA-N 1 1 409.421 3.019 20 5 HGBDMO O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)ccc1Cl ZINC001164967628 722076939 /nfs/dbraw/zinc/07/69/39/722076939.db2.gz GZUTZJIHXVXLKK-IYBDPMFKSA-N 1 1 415.881 3.005 20 5 HGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164982730 722136147 /nfs/dbraw/zinc/13/61/47/722136147.db2.gz SFBNFRVLJTYYLF-UGKGYDQZSA-N 1 1 419.485 3.265 20 5 HGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000609707777 1126100797 /nfs/dbraw/zinc/10/07/97/1126100797.db2.gz YBTVIPWOVAVFJC-WMZOPIPTSA-N 1 1 412.364 3.085 20 5 HGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001473748891 1126198645 /nfs/dbraw/zinc/19/86/45/1126198645.db2.gz BBFCEGZOEVLDNP-NVXWUHKLSA-N 1 1 412.364 3.006 20 5 HGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(C)n1)CC2 ZINC001164713016 720095259 /nfs/dbraw/zinc/09/52/59/720095259.db2.gz ZYSWHEZVNHVIQK-LJQANCHMSA-N 1 1 411.506 3.201 20 5 HGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cnc1Cl ZINC001164727291 720334361 /nfs/dbraw/zinc/33/43/61/720334361.db2.gz SRQRSSZVSICDAA-GJZGRUSLSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cnc1Cl ZINC001164727291 720334365 /nfs/dbraw/zinc/33/43/65/720334365.db2.gz SRQRSSZVSICDAA-GJZGRUSLSA-N 1 1 409.824 3.436 20 5 HGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164722015 720342218 /nfs/dbraw/zinc/34/22/18/720342218.db2.gz DOJUOXISMFLGLO-QWHCGFSZSA-N 1 1 406.899 3.008 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726602 720358802 /nfs/dbraw/zinc/35/88/02/720358802.db2.gz PYZOYUPJWRODEJ-IRXDYDNUSA-N 1 1 410.865 3.440 20 5 HGBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nn1 ZINC001164735730 720455552 /nfs/dbraw/zinc/45/55/52/720455552.db2.gz YDFGAKPSVXZAQU-SFTDATJTSA-N 1 1 402.458 3.300 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)CC[C@@H]21 ZINC001164840008 720508334 /nfs/dbraw/zinc/50/83/34/720508334.db2.gz VTBKONRZSODLPY-PVAVHDDUSA-N 1 1 404.902 3.218 20 5 HGBDMO Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164869098 721064424 /nfs/dbraw/zinc/06/44/24/721064424.db2.gz ROUALPCGJDMWTM-UXHICEINSA-N 1 1 419.485 3.326 20 5 HGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867491 721081456 /nfs/dbraw/zinc/08/14/56/721081456.db2.gz YNAUUXMXMRRBQS-ZIAGYGMSSA-N 1 1 424.288 3.171 20 5 HGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164867198 721082058 /nfs/dbraw/zinc/08/20/58/721082058.db2.gz WUOFREMYMRAEDK-OALUTQOASA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1cccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc21 ZINC001164867009 721082870 /nfs/dbraw/zinc/08/28/70/721082870.db2.gz WLUUHNTUTFFSDU-ZWKOTPCHSA-N 1 1 405.458 3.018 20 5 HGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(C)n1)CC2 ZINC001164783544 721450873 /nfs/dbraw/zinc/45/08/73/721450873.db2.gz CGXHQCKJGAAIBS-IBGZPJMESA-N 1 1 418.538 3.032 20 5 HGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C)c1[N+](=O)[O-])CC2 ZINC001164784438 721453709 /nfs/dbraw/zinc/45/37/09/721453709.db2.gz FGVNJMGVVOEGHD-IBGZPJMESA-N 1 1 418.538 3.032 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)cnc2c1 ZINC001164900536 721520479 /nfs/dbraw/zinc/52/04/79/721520479.db2.gz SASQPOLWPBMHAW-FUHWJXTLSA-N 1 1 409.421 3.019 20 5 HGBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164909935 721563460 /nfs/dbraw/zinc/56/34/60/721563460.db2.gz VQWAFLCFUJXDKJ-WBVHZDCISA-N 1 1 409.421 3.019 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC001165023359 721806973 /nfs/dbraw/zinc/80/69/73/721806973.db2.gz JQGIBTDBYNFMKW-BMGDILEWSA-N 1 1 412.450 3.030 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ccccc21 ZINC001164971901 722112298 /nfs/dbraw/zinc/11/22/98/722112298.db2.gz DCJBTNXJQPVCQK-XMSQKQJNSA-N 1 1 419.485 3.265 20 5 HGBDMO CCOc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1[N+](=O)[O-] ZINC001164697542 719896137 /nfs/dbraw/zinc/89/61/37/719896137.db2.gz KRXNQAORRPBYGS-UHFFFAOYSA-N 1 1 418.519 3.321 20 5 HGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC001164710610 720097139 /nfs/dbraw/zinc/09/71/39/720097139.db2.gz JZULARASLDPJMR-IBGZPJMESA-N 1 1 411.506 3.201 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726603 720359357 /nfs/dbraw/zinc/35/93/57/720359357.db2.gz PYZOYUPJWRODEJ-SJORKVTESA-N 1 1 410.865 3.440 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)CC[C@@H]21 ZINC001164840009 720508785 /nfs/dbraw/zinc/50/87/85/720508785.db2.gz VTBKONRZSODLPY-XIRDDKMYSA-N 1 1 404.902 3.218 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2ccccc21 ZINC001164866921 721079477 /nfs/dbraw/zinc/07/94/77/721079477.db2.gz VDKIOQULWGIPHZ-ZWKOTPCHSA-N 1 1 405.458 3.018 20 5 HGBDMO Cc1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164773233 721095883 /nfs/dbraw/zinc/09/58/83/721095883.db2.gz XIYIVIVFBWLZBO-QZTJIDSGSA-N 1 1 406.490 3.143 20 5 HGBDMO Cc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164773236 721096406 /nfs/dbraw/zinc/09/64/06/721096406.db2.gz XIYIVIVFBWLZBO-ROUUACIJSA-N 1 1 406.490 3.143 20 5 HGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(C)c3[N+](=O)[O-])C2)C1 ZINC001164777369 721340583 /nfs/dbraw/zinc/34/05/83/721340583.db2.gz GMFJIDSVRIPMTL-OAQYLSRUSA-N 1 1 415.494 3.022 20 5 HGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(C)c3[N+](=O)[O-])C2)C1 ZINC001164777369 721340586 /nfs/dbraw/zinc/34/05/86/721340586.db2.gz GMFJIDSVRIPMTL-OAQYLSRUSA-N 1 1 415.494 3.022 20 5 HGBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001164792520 721492483 /nfs/dbraw/zinc/49/24/83/721492483.db2.gz QBNINHZWMDMECE-UHFFFAOYSA-N 1 1 412.450 3.174 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001165025924 721817618 /nfs/dbraw/zinc/81/76/18/721817618.db2.gz OHXRFGTXPRZPEF-BMGDILEWSA-N 1 1 417.897 3.014 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044195 721954873 /nfs/dbraw/zinc/95/48/73/721954873.db2.gz IZKXYVZCZIWOMV-UHFFFAOYSA-N 1 1 413.865 3.392 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164976639 722109984 /nfs/dbraw/zinc/10/99/84/722109984.db2.gz LZTOXQUUZUEGNW-WMZOPIPTSA-N 1 1 417.897 3.074 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164976626 722110253 /nfs/dbraw/zinc/11/02/53/722110253.db2.gz LZTOXQUUZUEGNW-AEFFLSMTSA-N 1 1 417.897 3.074 20 5 HGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164983628 722114070 /nfs/dbraw/zinc/11/40/70/722114070.db2.gz YRWFUXCWQKLZJE-PZJWPPBQSA-N 1 1 419.485 3.265 20 5 HGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982624 722130963 /nfs/dbraw/zinc/13/09/63/722130963.db2.gz RUXFIHCWNKOXLI-DENIHFKCSA-N 1 1 419.485 3.265 20 5 HGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001164813336 720108796 /nfs/dbraw/zinc/10/87/96/720108796.db2.gz QHCLCOHOABATDS-ACJLOTCBSA-N 1 1 415.321 3.481 20 5 HGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164722014 720343106 /nfs/dbraw/zinc/34/31/06/720343106.db2.gz DOJUOXISMFLGLO-OLZOCXBDSA-N 1 1 406.899 3.008 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726600 720359774 /nfs/dbraw/zinc/35/97/74/720359774.db2.gz PYZOYUPJWRODEJ-DLBZAZTESA-N 1 1 410.865 3.440 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164728482 720360047 /nfs/dbraw/zinc/36/00/47/720360047.db2.gz VUSAOEYHHHFPGM-QZTJIDSGSA-N 1 1 410.865 3.440 20 5 HGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nn2)ccc1F ZINC001164729502 720466478 /nfs/dbraw/zinc/46/64/78/720466478.db2.gz RGDWTQYGNJIESC-VQTJNVASSA-N 1 1 420.448 3.439 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC001164834356 720519664 /nfs/dbraw/zinc/51/96/64/720519664.db2.gz FROSVGITFFPCOE-MDKPJZGXSA-N 1 1 421.505 3.112 20 5 HGBDMO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164773231 721096205 /nfs/dbraw/zinc/09/62/05/721096205.db2.gz XIYIVIVFBWLZBO-MSOLQXFVSA-N 1 1 406.490 3.143 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786639 721401106 /nfs/dbraw/zinc/40/11/06/721401106.db2.gz OMBJIZCKDXPTFG-AOOOYVTPSA-N 1 1 400.291 3.321 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786639 721401108 /nfs/dbraw/zinc/40/11/08/721401108.db2.gz OMBJIZCKDXPTFG-AOOOYVTPSA-N 1 1 400.291 3.321 20 5 HGBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164796380 721497269 /nfs/dbraw/zinc/49/72/69/721497269.db2.gz SJOKUGUECDXEGB-UHFFFAOYSA-N 1 1 417.897 3.158 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164897136 721526049 /nfs/dbraw/zinc/52/60/49/721526049.db2.gz DUJRGADPAOSOMR-GDBMZVCRSA-N 1 1 406.845 3.433 20 5 HGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@H]12 ZINC001164799663 721572697 /nfs/dbraw/zinc/57/26/97/721572697.db2.gz DBHUMLGLOQJMQL-VSKRKVRLSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@H]12 ZINC001164799663 721572700 /nfs/dbraw/zinc/57/27/00/721572700.db2.gz DBHUMLGLOQJMQL-VSKRKVRLSA-N 1 1 419.485 3.406 20 5 HGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027796 721804803 /nfs/dbraw/zinc/80/48/03/721804803.db2.gz XRJYQBJTCCITOB-XIRDDKMYSA-N 1 1 416.913 3.479 20 5 HGBDMO O=[N+]([O-])c1ccc2ncc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164954600 722013961 /nfs/dbraw/zinc/01/39/61/722013961.db2.gz MUGWANWPTVHIGU-UHFFFAOYSA-N 1 1 404.474 3.426 20 5 HGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164976466 722114484 /nfs/dbraw/zinc/11/44/84/722114484.db2.gz LQOYCSJMXKLSCX-GCJKJVERSA-N 1 1 419.485 3.265 20 5 HGBDMO NC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000583621537 560777004 /nfs/dbraw/zinc/77/70/04/560777004.db2.gz YUYGBKISCPTXQI-KRWDZBQOSA-N 1 1 405.458 3.259 20 5 HGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001164814407 720162344 /nfs/dbraw/zinc/16/23/44/720162344.db2.gz GEGFMPLGCJCMSO-AUSIDOKSSA-N 1 1 423.517 3.237 20 5 HGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cnc1Cl ZINC001164727293 720334781 /nfs/dbraw/zinc/33/47/81/720334781.db2.gz SRQRSSZVSICDAA-HUUCEWRRSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cnc1Cl ZINC001164727293 720334786 /nfs/dbraw/zinc/33/47/86/720334786.db2.gz SRQRSSZVSICDAA-HUUCEWRRSA-N 1 1 409.824 3.436 20 5 HGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164722016 720341819 /nfs/dbraw/zinc/34/18/19/720341819.db2.gz DOJUOXISMFLGLO-STQMWFEESA-N 1 1 406.899 3.008 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833257 720518619 /nfs/dbraw/zinc/51/86/19/720518619.db2.gz CIERZGYTIOVCGE-OWCLPIDISA-N 1 1 404.902 3.218 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834049 720574506 /nfs/dbraw/zinc/57/45/06/720574506.db2.gz CJVDTWPLIAIISF-SOLBZPMBSA-N 1 1 409.494 3.045 20 5 HGBDMO COc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164841986 720682760 /nfs/dbraw/zinc/68/27/60/720682760.db2.gz KSUOEDQIERLPIC-GOSISDBHSA-N 1 1 412.490 3.258 20 5 HGBDMO O=[N+]([O-])c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164749037 720870830 /nfs/dbraw/zinc/87/08/30/720870830.db2.gz GLGMPXBCFHXJAB-NFBKMPQASA-N 1 1 423.517 3.140 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868407 721066951 /nfs/dbraw/zinc/06/69/51/721066951.db2.gz OIKJWWMIJQFPLO-ZIAGYGMSSA-N 1 1 424.288 3.171 20 5 HGBDMO O=[N+]([O-])c1cccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc21 ZINC001164867008 721083718 /nfs/dbraw/zinc/08/37/18/721083718.db2.gz WLUUHNTUTFFSDU-ROUUACIJSA-N 1 1 405.458 3.018 20 5 HGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3C)C2)C1 ZINC001164777409 721334542 /nfs/dbraw/zinc/33/45/42/721334542.db2.gz MZHJCUDWEILBBG-OAQYLSRUSA-N 1 1 415.494 3.022 20 5 HGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3C)C2)C1 ZINC001164777409 721334545 /nfs/dbraw/zinc/33/45/45/721334545.db2.gz MZHJCUDWEILBBG-OAQYLSRUSA-N 1 1 415.494 3.022 20 5 HGBDMO O=[N+]([O-])c1ccc(-c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nn2)cc1 ZINC001164783908 721424811 /nfs/dbraw/zinc/42/48/11/721424811.db2.gz JZKARLDBLBZGJO-HOTGVXAUSA-N 1 1 408.487 3.077 20 5 HGBDMO Cc1cc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164783456 721430109 /nfs/dbraw/zinc/43/01/09/721430109.db2.gz IPGRKTAQAXKDHI-IAGOWNOFSA-N 1 1 422.514 3.385 20 5 HGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC001164783228 721450814 /nfs/dbraw/zinc/45/08/14/721450814.db2.gz AHFLOCIOKBYXAU-IBGZPJMESA-N 1 1 418.538 3.032 20 5 HGBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903993 721529507 /nfs/dbraw/zinc/52/95/07/721529507.db2.gz DRXHHAQYLLCOSV-WMZOPIPTSA-N 1 1 409.421 3.019 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)[C@H]2CCCO[C@H]12 ZINC001164800597 721550831 /nfs/dbraw/zinc/55/08/31/721550831.db2.gz CNTIMZRTBPGIQX-XJUOHMSHSA-N 1 1 419.485 3.406 20 5 HGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907086 721584657 /nfs/dbraw/zinc/58/46/57/721584657.db2.gz RFTUJJGIYDOTDG-LJQANCHMSA-N 1 1 403.433 3.431 20 5 HGBDMO Cc1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164907463 721692477 /nfs/dbraw/zinc/69/24/77/721692477.db2.gz TYUVSSDKYQCAMM-IBGZPJMESA-N 1 1 403.433 3.431 20 5 HGBDMO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165023326 721800422 /nfs/dbraw/zinc/80/04/22/721800422.db2.gz JLBSKZHAPYMWGY-USXIJHARSA-N 1 1 416.913 3.479 20 5 HGBDMO COc1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165021673 721809942 /nfs/dbraw/zinc/80/99/42/721809942.db2.gz FYVBSHJWOBPJRQ-WDSOQIARSA-N 1 1 411.506 3.439 20 5 HGBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164952470 722016707 /nfs/dbraw/zinc/01/67/07/722016707.db2.gz LGOSFBDHSODLKT-UHFFFAOYSA-N 1 1 404.474 3.426 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164979152 722109856 /nfs/dbraw/zinc/10/98/56/722109856.db2.gz PFMAAFHPASJIKT-SJLPKXTDSA-N 1 1 417.897 3.074 20 5 HGBDMO COC(=O)c1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164993805 722201936 /nfs/dbraw/zinc/20/19/36/722201936.db2.gz BTBXSVVQNJMWSM-OAQYLSRUSA-N 1 1 414.437 3.160 20 5 HGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164630924 719086681 /nfs/dbraw/zinc/08/66/81/719086681.db2.gz XNZFIDJDMSSUEE-YLJYHZDGSA-N 1 1 410.474 3.267 20 5 HGBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC3)cs1 ZINC001164693995 719808893 /nfs/dbraw/zinc/80/88/93/719808893.db2.gz TUWWIGNXGDKQSC-UHFFFAOYSA-N 1 1 423.926 3.282 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839103 720515980 /nfs/dbraw/zinc/51/59/80/720515980.db2.gz STMHCRAOTVCUKV-PLMTUMEDSA-N 1 1 421.505 3.112 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834354 720519365 /nfs/dbraw/zinc/51/93/65/720519365.db2.gz FROSVGITFFPCOE-DJPFJPOOSA-N 1 1 421.505 3.112 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838033 720535036 /nfs/dbraw/zinc/53/50/36/720535036.db2.gz NJIRNMYVTRVRPE-DJPFJPOOSA-N 1 1 421.505 3.112 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC[C@@H]21 ZINC001164834047 720575105 /nfs/dbraw/zinc/57/51/05/720575105.db2.gz CJVDTWPLIAIISF-BQFCYCMXSA-N 1 1 409.494 3.045 20 5 HGBDMO O=[N+]([O-])c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164749038 720871192 /nfs/dbraw/zinc/87/11/92/720871192.db2.gz GLGMPXBCFHXJAB-NZQKXSOJSA-N 1 1 423.517 3.140 20 5 HGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@H]2C ZINC001164857956 720940973 /nfs/dbraw/zinc/94/09/73/720940973.db2.gz ILZYTCKCQITFRV-JTQLQIEISA-N 1 1 414.297 3.310 20 5 HGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164867201 721082382 /nfs/dbraw/zinc/08/23/82/721082382.db2.gz WUOFREMYMRAEDK-RTBURBONSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1cccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc21 ZINC001164867007 721083425 /nfs/dbraw/zinc/08/34/25/721083425.db2.gz WLUUHNTUTFFSDU-QZTJIDSGSA-N 1 1 405.458 3.018 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)[C@@H]2CCCO[C@H]12 ZINC001164804495 721545279 /nfs/dbraw/zinc/54/52/79/721545279.db2.gz JZYOPEDNZQLOCS-XPNTWCBSSA-N 1 1 419.485 3.406 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164801595 721546207 /nfs/dbraw/zinc/54/62/07/721546207.db2.gz FUFYHRYNALGTQI-ZIFCJYIRSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164801595 721546211 /nfs/dbraw/zinc/54/62/11/721546211.db2.gz FUFYHRYNALGTQI-ZIFCJYIRSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164904168 721584638 /nfs/dbraw/zinc/58/46/38/721584638.db2.gz DKSKGCADJHGSLZ-LJQANCHMSA-N 1 1 403.433 3.431 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001165025095 721800824 /nfs/dbraw/zinc/80/08/24/721800824.db2.gz NNMKLGHPXKIJPB-CWRNSKLLSA-N 1 1 402.886 3.170 20 5 HGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027792 721804783 /nfs/dbraw/zinc/80/47/83/721804783.db2.gz XRJYQBJTCCITOB-BHYGNILZSA-N 1 1 416.913 3.479 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ccccc21 ZINC001164971900 722111966 /nfs/dbraw/zinc/11/19/66/722111966.db2.gz DCJBTNXJQPVCQK-PGRDOPGGSA-N 1 1 419.485 3.265 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994470 722203533 /nfs/dbraw/zinc/20/35/33/722203533.db2.gz HLSYVUABNLYMTM-LJQANCHMSA-N 1 1 406.845 3.266 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994470 722203535 /nfs/dbraw/zinc/20/35/35/722203535.db2.gz HLSYVUABNLYMTM-LJQANCHMSA-N 1 1 406.845 3.266 20 5 HGBDMO NC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000583621538 560777037 /nfs/dbraw/zinc/77/70/37/560777037.db2.gz YUYGBKISCPTXQI-QGZVFWFLSA-N 1 1 405.458 3.259 20 5 HGBDMO COC1(c2nc(CC(F)(F)F)no2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000555985277 568785174 /nfs/dbraw/zinc/78/51/74/568785174.db2.gz KMUCYUDXKJRRNW-UHFFFAOYSA-N 1 1 400.357 3.220 20 5 HGBDMO CCOC(=O)c1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164623448 719108471 /nfs/dbraw/zinc/10/84/71/719108471.db2.gz DDPPAPZCNDNGOI-PKOBYXMFSA-N 1 1 410.474 3.267 20 5 HGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164727776 720364221 /nfs/dbraw/zinc/36/42/21/720364221.db2.gz RJYXQDKVMVYOIH-CVEARBPZSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164727776 720364227 /nfs/dbraw/zinc/36/42/27/720364227.db2.gz RJYXQDKVMVYOIH-CVEARBPZSA-N 1 1 409.824 3.436 20 5 HGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164843308 720659330 /nfs/dbraw/zinc/65/93/30/720659330.db2.gz VYZHAQLXICUPHN-INIZCTEOSA-N 1 1 417.897 3.298 20 5 HGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C)c3[N+](=O)[O-])C2)C1 ZINC001164777368 721340985 /nfs/dbraw/zinc/34/09/85/721340985.db2.gz GMFJIDSVRIPMTL-NRFANRHFSA-N 1 1 415.494 3.022 20 5 HGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C)c3[N+](=O)[O-])C2)C1 ZINC001164777368 721340990 /nfs/dbraw/zinc/34/09/90/721340990.db2.gz GMFJIDSVRIPMTL-NRFANRHFSA-N 1 1 415.494 3.022 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164785816 721401820 /nfs/dbraw/zinc/40/18/20/721401820.db2.gz MZQVNVIKQWVDHI-RYUDHWBXSA-N 1 1 416.894 3.216 20 5 HGBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164792460 721496049 /nfs/dbraw/zinc/49/60/49/721496049.db2.gz PDKGIADSEPAVAY-UHFFFAOYSA-N 1 1 417.897 3.158 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC001165020630 721814054 /nfs/dbraw/zinc/81/40/54/721814054.db2.gz CENAXLKZHDVTMA-BHYGNILZSA-N 1 1 417.897 3.014 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164976634 722109961 /nfs/dbraw/zinc/10/99/61/722109961.db2.gz LZTOXQUUZUEGNW-SJLPKXTDSA-N 1 1 417.897 3.074 20 5 HGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164975482 722156327 /nfs/dbraw/zinc/15/63/27/722156327.db2.gz SZZLGSRRSCSPJK-KNQAVFIVSA-N 1 1 419.485 3.265 20 5 HGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C2 ZINC001164814770 720092833 /nfs/dbraw/zinc/09/28/33/720092833.db2.gz WOBRGSQVFJCHRP-ACJLOTCBSA-N 1 1 415.321 3.481 20 5 HGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(C)c1[N+](=O)[O-])CC2 ZINC001164713018 720105048 /nfs/dbraw/zinc/10/50/48/720105048.db2.gz ZYUQDTYWEVBDFL-LJQANCHMSA-N 1 1 411.506 3.201 20 5 HGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001164813349 720109502 /nfs/dbraw/zinc/10/95/02/720109502.db2.gz QHCLCOHOABATDS-SCLBCKFNSA-N 1 1 415.321 3.481 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834360 720519573 /nfs/dbraw/zinc/51/95/73/720519573.db2.gz FROSVGITFFPCOE-PLMTUMEDSA-N 1 1 421.505 3.112 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@@H]21 ZINC001164835611 720636823 /nfs/dbraw/zinc/63/68/23/720636823.db2.gz BUNVYBQNTIAUNG-AOIWGVFYSA-N 1 1 421.505 3.112 20 5 HGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164869740 721130533 /nfs/dbraw/zinc/13/05/33/721130533.db2.gz ANCIUYHRRUUIHK-VQTJNVASSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nn1 ZINC001164788848 721430449 /nfs/dbraw/zinc/43/04/49/721430449.db2.gz TUWNMTVCLMYMHA-GASCZTMLSA-N 1 1 408.487 3.077 20 5 HGBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nn1 ZINC001164788848 721430454 /nfs/dbraw/zinc/43/04/54/721430454.db2.gz TUWNMTVCLMYMHA-GASCZTMLSA-N 1 1 408.487 3.077 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164897167 721526103 /nfs/dbraw/zinc/52/61/03/721526103.db2.gz DUJRGADPAOSOMR-ZBFHGGJFSA-N 1 1 406.845 3.433 20 5 HGBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908350 721693163 /nfs/dbraw/zinc/69/31/63/721693163.db2.gz YKHVKORGNIUMRR-SFHVURJKSA-N 1 1 407.396 3.262 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC001165023363 721806888 /nfs/dbraw/zinc/80/68/88/721806888.db2.gz JQGIBTDBYNFMKW-JCGIZDLHSA-N 1 1 412.450 3.030 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC001165023361 721806963 /nfs/dbraw/zinc/80/69/63/721806963.db2.gz JQGIBTDBYNFMKW-FHLIZLRMSA-N 1 1 412.450 3.030 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cnc2c1 ZINC001164952938 722014364 /nfs/dbraw/zinc/01/43/64/722014364.db2.gz PIUXGHGOYFMBKU-UHFFFAOYSA-N 1 1 404.474 3.426 20 5 HGBDMO CN(C)/C=C/c1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164955900 722021101 /nfs/dbraw/zinc/02/11/01/722021101.db2.gz RSDOAURQQQLQLK-BJMVGYQFSA-N 1 1 422.533 3.410 20 5 HGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982626 722130636 /nfs/dbraw/zinc/13/06/36/722130636.db2.gz RUXFIHCWNKOXLI-KNQAVFIVSA-N 1 1 419.485 3.265 20 5 HGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994348 722213369 /nfs/dbraw/zinc/21/33/69/722213369.db2.gz AWKAVVKGBHRTSU-OAQYLSRUSA-N 1 1 414.437 3.160 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839469 720509916 /nfs/dbraw/zinc/50/99/16/720509916.db2.gz UVFXDKFZQSCLIC-BHYGNILZSA-N 1 1 404.902 3.218 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC001164834931 720510180 /nfs/dbraw/zinc/51/01/80/720510180.db2.gz IKYYSGQTMJORNS-HFTRVMKXSA-N 1 1 404.902 3.218 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839100 720515762 /nfs/dbraw/zinc/51/57/62/720515762.db2.gz STMHCRAOTVCUKV-DJPFJPOOSA-N 1 1 421.505 3.112 20 5 HGBDMO COc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164841987 720683418 /nfs/dbraw/zinc/68/34/18/720683418.db2.gz KSUOEDQIERLPIC-SFHVURJKSA-N 1 1 412.490 3.258 20 5 HGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)[C@H]2C ZINC001164857159 720998686 /nfs/dbraw/zinc/99/86/86/720998686.db2.gz CNPKMRYVEDWGJT-PTZVLDCSSA-N 1 1 413.526 3.140 20 5 HGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164867432 721073544 /nfs/dbraw/zinc/07/35/44/721073544.db2.gz IXTFAXUWNUPRHV-WOJBJXKFSA-N 1 1 405.458 3.018 20 5 HGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)C1 ZINC001164775774 721334691 /nfs/dbraw/zinc/33/46/91/721334691.db2.gz ABYCNADJXRALOO-NRFANRHFSA-N 1 1 415.494 3.022 20 5 HGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)C1 ZINC001164775774 721334695 /nfs/dbraw/zinc/33/46/95/721334695.db2.gz ABYCNADJXRALOO-NRFANRHFSA-N 1 1 415.494 3.022 20 5 HGBDMO Cc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164808383 721543383 /nfs/dbraw/zinc/54/33/83/721543383.db2.gz RUIIIODFBHBFRD-JTDSTZFVSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164808383 721543384 /nfs/dbraw/zinc/54/33/84/721543384.db2.gz RUIIIODFBHBFRD-JTDSTZFVSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164803078 721544974 /nfs/dbraw/zinc/54/49/74/721544974.db2.gz HWCDWGXWZNRNSH-NJAFHUGGSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164803078 721544976 /nfs/dbraw/zinc/54/49/76/721544976.db2.gz HWCDWGXWZNRNSH-NJAFHUGGSA-N 1 1 417.897 3.215 20 5 HGBDMO COc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164903596 721699108 /nfs/dbraw/zinc/69/91/08/721699108.db2.gz AQBWCTJTMRGVPN-LJQANCHMSA-N 1 1 419.432 3.131 20 5 HGBDMO COc1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c([N+](=O)[O-])c1 ZINC001164909993 721753750 /nfs/dbraw/zinc/75/37/50/721753750.db2.gz WXSXPMUTCUENCK-UHFFFAOYSA-N 1 1 409.446 3.181 20 5 HGBDMO COc1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c([N+](=O)[O-])c1 ZINC001164909993 721753754 /nfs/dbraw/zinc/75/37/54/721753754.db2.gz WXSXPMUTCUENCK-UHFFFAOYSA-N 1 1 409.446 3.181 20 5 HGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164971894 722109955 /nfs/dbraw/zinc/10/99/55/722109955.db2.gz DCFGFALARFKVCR-DENIHFKCSA-N 1 1 419.485 3.265 20 5 HGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(C)n1)CC2 ZINC001164713015 720095017 /nfs/dbraw/zinc/09/50/17/720095017.db2.gz ZYSWHEZVNHVIQK-IBGZPJMESA-N 1 1 411.506 3.201 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])CC[C@@H]21 ZINC001164833258 720519102 /nfs/dbraw/zinc/51/91/02/720519102.db2.gz CIERZGYTIOVCGE-PMPSAXMXSA-N 1 1 404.902 3.218 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2ccccc21 ZINC001164866918 721078908 /nfs/dbraw/zinc/07/89/08/721078908.db2.gz VDKIOQULWGIPHZ-MSOLQXFVSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867489 721082230 /nfs/dbraw/zinc/08/22/30/721082230.db2.gz YNAUUXMXMRRBQS-UONOGXRCSA-N 1 1 424.288 3.171 20 5 HGBDMO O=[N+]([O-])c1cccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc21 ZINC001164867006 721083764 /nfs/dbraw/zinc/08/37/64/721083764.db2.gz WLUUHNTUTFFSDU-MSOLQXFVSA-N 1 1 405.458 3.018 20 5 HGBDMO Cc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164773238 721096603 /nfs/dbraw/zinc/09/66/03/721096603.db2.gz XIYIVIVFBWLZBO-ZWKOTPCHSA-N 1 1 406.490 3.143 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164785821 721401430 /nfs/dbraw/zinc/40/14/30/721401430.db2.gz MZQVNVIKQWVDHI-VXGBXAGGSA-N 1 1 416.894 3.216 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1Cl ZINC001164803081 721544922 /nfs/dbraw/zinc/54/49/22/721544922.db2.gz HWCDWGXWZNRNSH-SZMVWBNQSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1Cl ZINC001164803081 721544927 /nfs/dbraw/zinc/54/49/27/721544927.db2.gz HWCDWGXWZNRNSH-SZMVWBNQSA-N 1 1 417.897 3.215 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)[C@H]2CCCO[C@H]12 ZINC001164804492 721545222 /nfs/dbraw/zinc/54/52/22/721545222.db2.gz JZYOPEDNZQLOCS-XJUOHMSHSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]12 ZINC001164799666 721573189 /nfs/dbraw/zinc/57/31/89/721573189.db2.gz DBHUMLGLOQJMQL-YPAWHYETSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]12 ZINC001164799666 721573190 /nfs/dbraw/zinc/57/31/90/721573190.db2.gz DBHUMLGLOQJMQL-YPAWHYETSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001165025925 721817358 /nfs/dbraw/zinc/81/73/58/721817358.db2.gz OHXRFGTXPRZPEF-FHLIZLRMSA-N 1 1 417.897 3.014 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164979147 722109659 /nfs/dbraw/zinc/10/96/59/722109659.db2.gz PFMAAFHPASJIKT-AEFFLSMTSA-N 1 1 417.897 3.074 20 5 HGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164971895 722110215 /nfs/dbraw/zinc/11/02/15/722110215.db2.gz DCFGFALARFKVCR-KNQAVFIVSA-N 1 1 419.485 3.265 20 5 HGBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164652126 719316172 /nfs/dbraw/zinc/31/61/72/719316172.db2.gz NXHOQYTXUQWQSB-UHFFFAOYSA-N 1 1 421.505 3.454 20 5 HGBDMO C[N@H+]1CCO[C@@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001164667771 719394024 /nfs/dbraw/zinc/39/40/24/719394024.db2.gz PJBGUMQZOHUOGZ-NVXWUHKLSA-N 1 1 408.817 3.094 20 5 HGBDMO COc1nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC001164691152 719805358 /nfs/dbraw/zinc/80/53/58/719805358.db2.gz DZGCSMCRGHTBAW-UHFFFAOYSA-N 1 1 403.508 3.398 20 5 HGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001164813352 720108702 /nfs/dbraw/zinc/10/87/02/720108702.db2.gz QHCLCOHOABATDS-UGSOOPFHSA-N 1 1 415.321 3.481 20 5 HGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164867197 721081701 /nfs/dbraw/zinc/08/17/01/721081701.db2.gz WUOFREMYMRAEDK-MOPGFXCFSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865987 721113408 /nfs/dbraw/zinc/11/34/08/721113408.db2.gz QUCZCCSBBHLKPE-OALUTQOASA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164869739 721131019 /nfs/dbraw/zinc/13/10/19/721131019.db2.gz ANCIUYHRRUUIHK-UXHICEINSA-N 1 1 405.458 3.018 20 5 HGBDMO Cc1ccc(-c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164784008 721420333 /nfs/dbraw/zinc/42/03/33/721420333.db2.gz JTYSLLSPYZLXIO-IAGOWNOFSA-N 1 1 422.514 3.385 20 5 HGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1C)CC2 ZINC001164789223 721450907 /nfs/dbraw/zinc/45/09/07/721450907.db2.gz UCUBJJFECGODRC-HXUWFJFHSA-N 1 1 418.538 3.032 20 5 HGBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903992 721529279 /nfs/dbraw/zinc/52/92/79/721529279.db2.gz DRXHHAQYLLCOSV-SJLPKXTDSA-N 1 1 409.421 3.019 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1Cl ZINC001164803080 721545250 /nfs/dbraw/zinc/54/52/50/721545250.db2.gz HWCDWGXWZNRNSH-RYQLBKOJSA-N 1 1 417.897 3.215 20 5 HGBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1Cl ZINC001164803080 721545252 /nfs/dbraw/zinc/54/52/52/721545252.db2.gz HWCDWGXWZNRNSH-RYQLBKOJSA-N 1 1 417.897 3.215 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001165025101 721800819 /nfs/dbraw/zinc/80/08/19/721800819.db2.gz NNMKLGHPXKIJPB-VNQPRFMTSA-N 1 1 402.886 3.170 20 5 HGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nn2)ccc1F ZINC001165044268 721961424 /nfs/dbraw/zinc/96/14/24/721961424.db2.gz HEDXKNWDINFHLA-UHFFFAOYSA-N 1 1 423.448 3.392 20 5 HGBDMO O=[N+]([O-])c1cc(Cl)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963878 722054814 /nfs/dbraw/zinc/05/48/14/722054814.db2.gz PKPATQIURCOJLB-UHFFFAOYSA-N 1 1 417.897 3.157 20 5 HGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001164814412 720163512 /nfs/dbraw/zinc/16/35/12/720163512.db2.gz GEGFMPLGCJCMSO-XXBNENTESA-N 1 1 423.517 3.237 20 5 HGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cnc1Cl ZINC001164727294 720334671 /nfs/dbraw/zinc/33/46/71/720334671.db2.gz SRQRSSZVSICDAA-LSDHHAIUSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cnc1Cl ZINC001164727294 720334677 /nfs/dbraw/zinc/33/46/77/720334677.db2.gz SRQRSSZVSICDAA-LSDHHAIUSA-N 1 1 409.824 3.436 20 5 HGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164722008 720342001 /nfs/dbraw/zinc/34/20/01/720342001.db2.gz DOJUOXISMFLGLO-CHWSQXEVSA-N 1 1 406.899 3.008 20 5 HGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nn2)ccc1F ZINC001164729503 720465897 /nfs/dbraw/zinc/46/58/97/720465897.db2.gz RGDWTQYGNJIESC-WOJBJXKFSA-N 1 1 420.448 3.439 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC001164838035 720534472 /nfs/dbraw/zinc/53/44/72/720534472.db2.gz NJIRNMYVTRVRPE-MDKPJZGXSA-N 1 1 421.505 3.112 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@@H]21 ZINC001164835613 720635413 /nfs/dbraw/zinc/63/54/13/720635413.db2.gz BUNVYBQNTIAUNG-LNLFQRSKSA-N 1 1 421.505 3.112 20 5 HGBDMO O=[N+]([O-])c1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nn2)cc1 ZINC001164783915 721425121 /nfs/dbraw/zinc/42/51/21/721425121.db2.gz JZKARLDBLBZGJO-IYBDPMFKSA-N 1 1 408.487 3.077 20 5 HGBDMO O=[N+]([O-])c1ccc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nn2)cc1 ZINC001164783915 721425123 /nfs/dbraw/zinc/42/51/23/721425123.db2.gz JZKARLDBLBZGJO-IYBDPMFKSA-N 1 1 408.487 3.077 20 5 HGBDMO COc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164907507 721692577 /nfs/dbraw/zinc/69/25/77/721692577.db2.gz UYLSWUJSFDDGRC-IBGZPJMESA-N 1 1 419.432 3.131 20 5 HGBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001164908897 721750379 /nfs/dbraw/zinc/75/03/79/721750379.db2.gz NVXFVJMFQUOZSD-UHFFFAOYSA-N 1 1 424.417 3.081 20 5 HGBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001164908897 721750383 /nfs/dbraw/zinc/75/03/83/721750383.db2.gz NVXFVJMFQUOZSD-UHFFFAOYSA-N 1 1 424.417 3.081 20 5 HGBDMO COc1cc(C)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164908936 721753457 /nfs/dbraw/zinc/75/34/57/721753457.db2.gz OUQQVUPBNKDUPO-UHFFFAOYSA-N 1 1 423.473 3.490 20 5 HGBDMO COc1cc(C)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164908936 721753462 /nfs/dbraw/zinc/75/34/62/721753462.db2.gz OUQQVUPBNKDUPO-UHFFFAOYSA-N 1 1 423.473 3.490 20 5 HGBDMO Cc1c(C)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164964158 722056744 /nfs/dbraw/zinc/05/67/44/722056744.db2.gz SEALWNFFUUANIP-UHFFFAOYSA-N 1 1 411.506 3.121 20 5 HGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164971897 722110120 /nfs/dbraw/zinc/11/01/20/722110120.db2.gz DCFGFALARFKVCR-UGKGYDQZSA-N 1 1 419.485 3.265 20 5 HGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164983624 722113674 /nfs/dbraw/zinc/11/36/74/722113674.db2.gz YRWFUXCWQKLZJE-FPOVZHCZSA-N 1 1 419.485 3.265 20 5 HGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164983621 722113850 /nfs/dbraw/zinc/11/38/50/722113850.db2.gz YRWFUXCWQKLZJE-CTNGQTDRSA-N 1 1 419.485 3.265 20 5 HGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164975485 722156324 /nfs/dbraw/zinc/15/63/24/722156324.db2.gz SZZLGSRRSCSPJK-UGKGYDQZSA-N 1 1 419.485 3.265 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164994835 722196114 /nfs/dbraw/zinc/19/61/14/722196114.db2.gz QANUOXCIJVSXRY-IBGZPJMESA-N 1 1 401.398 3.282 20 5 HGBDMO O=[N+]([O-])c1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164994835 722196116 /nfs/dbraw/zinc/19/61/16/722196116.db2.gz QANUOXCIJVSXRY-IBGZPJMESA-N 1 1 401.398 3.282 20 5 HGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001473748893 1126198690 /nfs/dbraw/zinc/19/86/90/1126198690.db2.gz BBFCEGZOEVLDNP-RDJZCZTQSA-N 1 1 412.364 3.006 20 5 HGBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164648196 719309011 /nfs/dbraw/zinc/30/90/11/719309011.db2.gz QKQWQNJIMVRQQU-UHFFFAOYSA-N 1 1 414.297 3.093 20 5 HGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC001164710612 720096156 /nfs/dbraw/zinc/09/61/56/720096156.db2.gz JZULARASLDPJMR-LJQANCHMSA-N 1 1 411.506 3.201 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836637 720563329 /nfs/dbraw/zinc/56/33/29/720563329.db2.gz KLNQDOOXXDQTPF-SOLBZPMBSA-N 1 1 409.494 3.045 20 5 HGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@@H]2C ZINC001164857957 720941552 /nfs/dbraw/zinc/94/15/52/720941552.db2.gz ILZYTCKCQITFRV-SNVBAGLBSA-N 1 1 414.297 3.310 20 5 HGBDMO Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164869102 721064601 /nfs/dbraw/zinc/06/46/01/721064601.db2.gz ROUALPCGJDMWTM-WOJBJXKFSA-N 1 1 419.485 3.326 20 5 HGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164867426 721073320 /nfs/dbraw/zinc/07/33/20/721073320.db2.gz IXTFAXUWNUPRHV-PMACEKPBSA-N 1 1 405.458 3.018 20 5 HGBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903990 721529632 /nfs/dbraw/zinc/52/96/32/721529632.db2.gz DRXHHAQYLLCOSV-AEFFLSMTSA-N 1 1 409.421 3.019 20 5 HGBDMO COc1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165021671 721810071 /nfs/dbraw/zinc/81/00/71/721810071.db2.gz FYVBSHJWOBPJRQ-QXAKKESOSA-N 1 1 411.506 3.439 20 5 HGBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nn1 ZINC001165044006 721960665 /nfs/dbraw/zinc/96/06/65/721960665.db2.gz BVFQXULBLAVPHI-UHFFFAOYSA-N 1 1 405.458 3.253 20 5 HGBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960529 722053392 /nfs/dbraw/zinc/05/33/92/722053392.db2.gz RLVMZPVAPIBGKG-UHFFFAOYSA-N 1 1 417.897 3.157 20 5 HGBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164992836 722193412 /nfs/dbraw/zinc/19/34/12/722193412.db2.gz BDDCRJZZPPQFEG-NRFANRHFSA-N 1 1 414.437 3.160 20 5 HGBDMO Cc1ccc(-c2nc3sccc3c(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164669201 719446316 /nfs/dbraw/zinc/44/63/16/719446316.db2.gz LEMOYKFDOIEQCY-DLBZAZTESA-N 1 1 411.487 3.094 20 5 HGBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC3)cs1 ZINC001164692808 719811190 /nfs/dbraw/zinc/81/11/90/719811190.db2.gz NEQJXCAOIITBEM-UHFFFAOYSA-N 1 1 423.926 3.282 20 5 HGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1Cl ZINC001164730363 720354140 /nfs/dbraw/zinc/35/41/40/720354140.db2.gz ZDLKFWBFWGOGED-KBPBESRZSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1Cl ZINC001164730363 720354142 /nfs/dbraw/zinc/35/41/42/720354142.db2.gz ZDLKFWBFWGOGED-KBPBESRZSA-N 1 1 409.824 3.436 20 5 HGBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nn1 ZINC001164735727 720455996 /nfs/dbraw/zinc/45/59/96/720455996.db2.gz YDFGAKPSVXZAQU-LEWJYISDSA-N 1 1 402.458 3.300 20 5 HGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)CC[C@@H]21 ZINC001164839102 720516285 /nfs/dbraw/zinc/51/62/85/720516285.db2.gz STMHCRAOTVCUKV-MMOPVJDHSA-N 1 1 421.505 3.112 20 5 HGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836639 720563402 /nfs/dbraw/zinc/56/34/02/720563402.db2.gz KLNQDOOXXDQTPF-XYJFISCASA-N 1 1 409.494 3.045 20 5 HGBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164844232 720672028 /nfs/dbraw/zinc/67/20/28/720672028.db2.gz ZAQHBYHLCFNIII-GOSISDBHSA-N 1 1 400.454 3.389 20 5 HGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164762869 721238761 /nfs/dbraw/zinc/23/87/61/721238761.db2.gz LOMCJANNZNLEQG-WOJBJXKFSA-N 1 1 418.501 3.349 20 5 HGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)C1 ZINC001164775775 721334182 /nfs/dbraw/zinc/33/41/82/721334182.db2.gz ABYCNADJXRALOO-OAQYLSRUSA-N 1 1 415.494 3.022 20 5 HGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)C1 ZINC001164775775 721334187 /nfs/dbraw/zinc/33/41/87/721334187.db2.gz ABYCNADJXRALOO-OAQYLSRUSA-N 1 1 415.494 3.022 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785819 721401450 /nfs/dbraw/zinc/40/14/50/721401450.db2.gz MZQVNVIKQWVDHI-TXEJJXNPSA-N 1 1 416.894 3.216 20 5 HGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785819 721401455 /nfs/dbraw/zinc/40/14/55/721401455.db2.gz MZQVNVIKQWVDHI-TXEJJXNPSA-N 1 1 416.894 3.216 20 5 HGBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)cnc2c1 ZINC001164900537 721520702 /nfs/dbraw/zinc/52/07/02/721520702.db2.gz SASQPOLWPBMHAW-SJLPKXTDSA-N 1 1 409.421 3.019 20 5 HGBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164902861 721529474 /nfs/dbraw/zinc/52/94/74/721529474.db2.gz BMWKZUDLRTVQBH-FUHWJXTLSA-N 1 1 409.421 3.019 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)[C@H]2CCCO[C@@H]12 ZINC001164804491 721545411 /nfs/dbraw/zinc/54/54/11/721545411.db2.gz JZYOPEDNZQLOCS-QZNHQXDQSA-N 1 1 419.485 3.406 20 5 HGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)[C@H]2CCCO[C@@H]12 ZINC001164808441 721550259 /nfs/dbraw/zinc/55/02/59/721550259.db2.gz SJCMCKBWYVBNPZ-MIZPHKNDSA-N 1 1 419.485 3.406 20 5 HGBDMO COc1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165021674 721809915 /nfs/dbraw/zinc/80/99/15/721809915.db2.gz FYVBSHJWOBPJRQ-YTQUADARSA-N 1 1 411.506 3.439 20 5 HGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC001165020631 721813926 /nfs/dbraw/zinc/81/39/26/721813926.db2.gz CENAXLKZHDVTMA-DJIMGWMZSA-N 1 1 417.897 3.014 20 5 HGBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960504 722052129 /nfs/dbraw/zinc/05/21/29/722052129.db2.gz QAOGSLJJZAOWHO-UHFFFAOYSA-N 1 1 417.897 3.157 20 5 HGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164976630 722110128 /nfs/dbraw/zinc/11/01/28/722110128.db2.gz LZTOXQUUZUEGNW-FUHWJXTLSA-N 1 1 417.897 3.074 20 5 HGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164976474 722114924 /nfs/dbraw/zinc/11/49/24/722114924.db2.gz LQOYCSJMXKLSCX-PGRDOPGGSA-N 1 1 419.485 3.265 20 5 HGBDMO