smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164719060 720123369 /nfs/dbraw/zinc/12/33/69/720123369.db2.gz UZFXUEZEGLSBTA-GOSISDBHSA-N 1 1 455.515 2.679 20 5 JFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CCC2 ZINC001164813496 720217156 /nfs/dbraw/zinc/21/71/56/720217156.db2.gz MXUGNQDGODOTKA-UHFFFAOYSA-N 1 1 457.922 2.999 20 5 JFBDMO CSc1nc(Cl)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164812026 720225112 /nfs/dbraw/zinc/22/51/12/720225112.db2.gz COSSSTWXINAITN-UHFFFAOYSA-N 1 1 453.956 2.567 20 5 JFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842373 720726877 /nfs/dbraw/zinc/72/68/77/720726877.db2.gz YYOROBFXLZLOPG-IBGZPJMESA-N 1 1 454.531 2.912 20 5 JFBDMO COc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164757437 720889163 /nfs/dbraw/zinc/88/91/63/720889163.db2.gz URQQEHWODSXNJJ-NTKDMRAZSA-N 1 1 484.557 2.552 20 5 JFBDMO COc1ncnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755670 720889998 /nfs/dbraw/zinc/88/99/98/720889998.db2.gz MKVXIJRONZIUFE-XXBNENTESA-N 1 1 454.531 2.544 20 5 JFBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880436 721146620 /nfs/dbraw/zinc/14/66/20/721146620.db2.gz WRJDFEFLPMFSQR-QWHCGFSZSA-N 1 1 458.828 2.932 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)O2)CC1 ZINC001164894065 721395435 /nfs/dbraw/zinc/39/54/35/721395435.db2.gz XBFYOKNFBAZWHA-KXBFYZLASA-N 1 1 459.925 2.954 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C3)O2)CC1 ZINC001164888738 721440831 /nfs/dbraw/zinc/44/08/31/721440831.db2.gz APCJSCKLKQSCGN-DVECYGJZSA-N 1 1 452.559 2.817 20 5 JFBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164789329 721462480 /nfs/dbraw/zinc/46/24/80/721462480.db2.gz WZGVVKZHOIWHKI-SFHVURJKSA-N 1 1 454.955 2.616 20 5 JFBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788559 721462941 /nfs/dbraw/zinc/46/29/41/721462941.db2.gz UAAAFNKHETYLLI-FQEVSTJZSA-N 1 1 476.574 2.900 20 5 JFBDMO COc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1[N+](=O)[O-] ZINC001164801568 721555674 /nfs/dbraw/zinc/55/56/74/721555674.db2.gz GWTBSKLASOGUBY-KAGYGMCKSA-N 1 1 450.499 2.810 20 5 JFBDMO COc1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1[N+](=O)[O-] ZINC001164801568 721555679 /nfs/dbraw/zinc/55/56/79/721555679.db2.gz GWTBSKLASOGUBY-KAGYGMCKSA-N 1 1 450.499 2.810 20 5 JFBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164910453 721775717 /nfs/dbraw/zinc/77/57/17/721775717.db2.gz BSMIIGKMDVUEHR-QFIPXVFZSA-N 1 1 470.917 2.694 20 5 JFBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164910453 721775724 /nfs/dbraw/zinc/77/57/24/721775724.db2.gz BSMIIGKMDVUEHR-QFIPXVFZSA-N 1 1 470.917 2.694 20 5 JFBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164932002 721884788 /nfs/dbraw/zinc/88/47/88/721884788.db2.gz HESVBSQHWCMIGJ-DLBZAZTESA-N 1 1 470.603 2.676 20 5 JFBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164932002 721884790 /nfs/dbraw/zinc/88/47/90/721884790.db2.gz HESVBSQHWCMIGJ-DLBZAZTESA-N 1 1 470.603 2.676 20 5 JFBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164932007 721884865 /nfs/dbraw/zinc/88/48/65/721884865.db2.gz HESVBSQHWCMIGJ-IRXDYDNUSA-N 1 1 470.603 2.676 20 5 JFBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164932007 721884866 /nfs/dbraw/zinc/88/48/66/721884866.db2.gz HESVBSQHWCMIGJ-IRXDYDNUSA-N 1 1 470.603 2.676 20 5 JFBDMO CSc1nc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164982604 722123704 /nfs/dbraw/zinc/12/37/04/722123704.db2.gz XIHATSYPFJCXRV-LSDHHAIUSA-N 1 1 450.952 2.882 20 5 JFBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n2)CC3)CC1 ZINC001165002314 722240105 /nfs/dbraw/zinc/24/01/05/722240105.db2.gz UESXLPABJCBQRX-UHFFFAOYSA-N 1 1 463.517 2.943 20 5 JFBDMO COc1cc(OCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)ccc1[N+](=O)[O-] ZINC001265246834 1059805066 /nfs/dbraw/zinc/80/50/66/1059805066.db2.gz GPICRQHHFLPSDG-GOSISDBHSA-N 1 1 456.499 2.787 20 5 JFBDMO C[C@@H]1C[C@H](N(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC001265280183 1059815905 /nfs/dbraw/zinc/81/59/05/1059815905.db2.gz VKXSCJHXTWTFJL-SJLPKXTDSA-N 1 1 450.495 2.702 20 5 JFBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001265557022 1059886035 /nfs/dbraw/zinc/88/60/35/1059886035.db2.gz NIIKZTIDNNDYED-LPHOPBHVSA-N 1 1 450.495 2.889 20 5 JFBDMO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286876173 1061293374 /nfs/dbraw/zinc/29/33/74/1061293374.db2.gz ZUWYFEBJVVXLSS-IBGZPJMESA-N 1 1 455.563 2.642 20 5 JFBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001294691732 1062251039 /nfs/dbraw/zinc/25/10/39/1062251039.db2.gz AVOASNBJUVCYFA-JOCHJYFZSA-N 1 1 498.632 2.916 20 5 JFBDMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001294691733 1062251157 /nfs/dbraw/zinc/25/11/57/1062251157.db2.gz AVOASNBJUVCYFA-QFIPXVFZSA-N 1 1 498.632 2.916 20 5 JFBDMO Cc1[nH+]ccn1CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001290514344 1062312963 /nfs/dbraw/zinc/31/29/63/1062312963.db2.gz KYMUSRUXTIAAFF-UHFFFAOYSA-N 1 1 466.546 2.753 20 5 JFBDMO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290744005 1062662729 /nfs/dbraw/zinc/66/27/29/1062662729.db2.gz TZBFRTZYDYMUPM-OAQYLSRUSA-N 1 1 455.563 2.606 20 5 JFBDMO CC(C)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287220733 1062705795 /nfs/dbraw/zinc/70/57/95/1062705795.db2.gz JPEGWTXFSVNGRZ-UHFFFAOYSA-N 1 1 484.649 2.910 20 5 JFBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001290847556 1062734470 /nfs/dbraw/zinc/73/44/70/1062734470.db2.gz QSBPHNODDDEZKX-YRNRMSPPSA-N 1 1 458.563 2.753 20 5 JFBDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001287739473 1063062246 /nfs/dbraw/zinc/06/22/46/1063062246.db2.gz RSVSQFJCQXWGBG-RTBURBONSA-N 1 1 469.590 2.888 20 5 JFBDMO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291214813 1063419670 /nfs/dbraw/zinc/41/96/70/1063419670.db2.gz DWOGULFJWYTOQR-KRWDZBQOSA-N 1 1 455.563 2.642 20 5 JFBDMO C[C@H]1CSCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291310945 1063741017 /nfs/dbraw/zinc/74/10/17/1063741017.db2.gz LOAPRJMQZOLWIW-FXAWDEMLSA-N 1 1 487.630 2.738 20 5 JFBDMO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)CC1)CCC(F)(F)F ZINC001295827096 1063836054 /nfs/dbraw/zinc/83/60/54/1063836054.db2.gz LCLDGOLMVZWUDK-UHFFFAOYSA-N 1 1 474.509 2.696 20 5 JFBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)CC1)CCC(F)(F)F ZINC001295827096 1063836065 /nfs/dbraw/zinc/83/60/65/1063836065.db2.gz LCLDGOLMVZWUDK-UHFFFAOYSA-N 1 1 474.509 2.696 20 5 JFBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)F)CC1)C(C)C ZINC001295827437 1063837342 /nfs/dbraw/zinc/83/73/42/1063837342.db2.gz NSYYYIHPNHKHLU-UHFFFAOYSA-N 1 1 451.522 2.971 20 5 JFBDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001296059357 1064122280 /nfs/dbraw/zinc/12/22/80/1064122280.db2.gz CWESEUSNBBOYFR-LEWJYISDSA-N 1 1 458.563 2.968 20 5 JFBDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001296088328 1064157823 /nfs/dbraw/zinc/15/78/23/1064157823.db2.gz KMJLVDUPPVWVAP-AZUAARDMSA-N 1 1 455.563 2.690 20 5 JFBDMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001296133262 1064233068 /nfs/dbraw/zinc/23/30/68/1064233068.db2.gz YLXLJZBKTMNJBT-HXUWFJFHSA-N 1 1 478.601 2.835 20 5 JFBDMO CC[C@@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291797686 1064307965 /nfs/dbraw/zinc/30/79/65/1064307965.db2.gz QUKFOGQLWPQTNY-YLJYHZDGSA-N 1 1 455.563 2.833 20 5 JFBDMO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001296184104 1064331217 /nfs/dbraw/zinc/33/12/17/1064331217.db2.gz VPJBPFNRQFOEIE-OAQYLSRUSA-N 1 1 457.552 2.787 20 5 JFBDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296186037 1064334390 /nfs/dbraw/zinc/33/43/90/1064334390.db2.gz SHOYGEINPHIPJS-SLFFLAALSA-N 1 1 471.606 2.741 20 5 JFBDMO CCNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001296229136 1064462639 /nfs/dbraw/zinc/46/26/39/1064462639.db2.gz UZAUXAPMKYXBLQ-GOSISDBHSA-N 1 1 499.616 2.705 20 5 JFBDMO CCNC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001296306820 1064586065 /nfs/dbraw/zinc/58/60/65/1064586065.db2.gz QBPLBLATGWDWDW-UHFFFAOYSA-N 1 1 484.605 2.827 20 5 JFBDMO C[C@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)CN1CC[NH+](C)CC1 ZINC001292958885 1065636223 /nfs/dbraw/zinc/63/62/23/1065636223.db2.gz ODAUZOHXKLDSOK-CYBMUJFWSA-N 1 1 455.346 2.701 20 5 JFBDMO C[C@@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)CN1CC[NH+](C)CC1 ZINC001292958886 1065636289 /nfs/dbraw/zinc/63/62/89/1065636289.db2.gz ODAUZOHXKLDSOK-ZDUSSCGKSA-N 1 1 455.346 2.701 20 5 JFBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])CC2 ZINC001164713462 720155772 /nfs/dbraw/zinc/15/57/72/720155772.db2.gz KWDXUXQAWXFKID-LJQANCHMSA-N 1 1 469.546 2.554 20 5 JFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CCC2 ZINC001164810827 720216617 /nfs/dbraw/zinc/21/66/17/720216617.db2.gz DIOYYZPIYLVNQA-UHFFFAOYSA-N 1 1 456.881 2.995 20 5 JFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742743 720814484 /nfs/dbraw/zinc/81/44/84/720814484.db2.gz DLVPPXPQDYIKNI-QLFBSQMISA-N 1 1 464.983 2.731 20 5 JFBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164892890 721386885 /nfs/dbraw/zinc/38/68/85/721386885.db2.gz UGNWOISQGVOAMS-KSFYIVLOSA-N 1 1 481.981 2.585 20 5 JFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889774 721388052 /nfs/dbraw/zinc/38/80/52/721388052.db2.gz MHQTXGWASSUGNC-AUUYWEPGSA-N 1 1 457.000 2.526 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164885589 721398210 /nfs/dbraw/zinc/39/82/10/721398210.db2.gz CQHFPAGNANRRQO-VGOFRKELSA-N 1 1 460.966 2.957 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C3)O2)CC1 ZINC001164889001 721401094 /nfs/dbraw/zinc/40/10/94/721401094.db2.gz QCDYNIBHVDWXKK-APWZRJJASA-N 1 1 459.925 2.954 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164889620 721452432 /nfs/dbraw/zinc/45/24/32/721452432.db2.gz OJYMRGAPFSBUFG-VGOFRKELSA-N 1 1 460.966 2.957 20 5 JFBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164783865 721461479 /nfs/dbraw/zinc/46/14/79/721461479.db2.gz GEIDOUCDACQAQZ-GOSISDBHSA-N 1 1 462.547 2.510 20 5 JFBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979088 722102814 /nfs/dbraw/zinc/10/28/14/722102814.db2.gz HBRAVORSHKFZCF-AEFFLSMTSA-N 1 1 475.933 2.942 20 5 JFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984321 722103276 /nfs/dbraw/zinc/10/32/76/722103276.db2.gz SLVPEVHLXHTUKU-HUUCEWRRSA-N 1 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RLCJVDQNRDEDMJ-LJQANCHMSA-N 1 1 462.547 2.510 20 5 JFBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)CC2 ZINC001164788566 721452006 /nfs/dbraw/zinc/45/20/06/721452006.db2.gz RLCJVDQNRDEDMJ-IBGZPJMESA-N 1 1 462.547 2.510 20 5 JFBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164783871 721461490 /nfs/dbraw/zinc/46/14/90/721461490.db2.gz GEIDOUCDACQAQZ-SFHVURJKSA-N 1 1 462.547 2.510 20 5 JFBDMO COc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2cc1[N+](=O)[O-] ZINC001164801581 721555551 /nfs/dbraw/zinc/55/55/51/721555551.db2.gz GWTBSKLASOGUBY-VCOUNFBDSA-N 1 1 450.499 2.810 20 5 JFBDMO COc1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2cc1[N+](=O)[O-] ZINC001164801581 721555555 /nfs/dbraw/zinc/55/55/55/721555555.db2.gz GWTBSKLASOGUBY-VCOUNFBDSA-N 1 1 450.499 2.810 20 5 JFBDMO COC(=O)c1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904816 721691578 /nfs/dbraw/zinc/69/15/78/721691578.db2.gz GRRUSFAGVZPAOW-IBGZPJMESA-N 1 1 482.875 2.958 20 5 JFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911843 721735550 /nfs/dbraw/zinc/73/55/50/721735550.db2.gz KZNGJDVMTBKHKJ-FQEVSTJZSA-N 1 1 461.473 2.784 20 5 JFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984319 722103286 /nfs/dbraw/zinc/10/32/86/722103286.db2.gz SLVPEVHLXHTUKU-GJZGRUSLSA-N 1 1 450.952 2.882 20 5 JFBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(Cl)nc4ccc([N+](=O)[O-])cc42)CC3)CC1 ZINC001165001051 722237543 /nfs/dbraw/zinc/23/75/43/722237543.db2.gz ADBVIQLJLIYCSV-UHFFFAOYSA-N 1 1 453.934 2.943 20 5 JFBDMO Cc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165002793 722238300 /nfs/dbraw/zinc/23/83/00/722238300.db2.gz YYQWCCAIHDTYSM-UHFFFAOYSA-N 1 1 460.542 2.507 20 5 JFBDMO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C2 ZINC001165006140 722268147 /nfs/dbraw/zinc/26/81/47/722268147.db2.gz HBSQNIVSTKOWRV-WCYCAPIHSA-N 1 1 454.506 2.589 20 5 JFBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001264799542 1059682353 /nfs/dbraw/zinc/68/23/53/1059682353.db2.gz IURBECWPPNYPBS-UHFFFAOYSA-N 1 1 458.540 2.973 20 5 JFBDMO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286876175 1061293317 /nfs/dbraw/zinc/29/33/17/1061293317.db2.gz ZUWYFEBJVVXLSS-LJQANCHMSA-N 1 1 455.563 2.642 20 5 JFBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001289850456 1061524049 /nfs/dbraw/zinc/52/40/49/1061524049.db2.gz MFYJEQYJVDFXGA-FFZOFVMBSA-N 1 1 459.524 2.741 20 5 JFBDMO C[C@H]([C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C1CCCC1)S(C)(=O)=O ZINC001286973402 1061760648 /nfs/dbraw/zinc/76/06/48/1061760648.db2.gz QPXCNSWVLWQWBF-DLBZAZTESA-N 1 1 478.619 2.986 20 5 JFBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)CC1 ZINC001294697927 1062260129 /nfs/dbraw/zinc/26/01/29/1062260129.db2.gz GSMBSCQUDWJPJZ-OAQYLSRUSA-N 1 1 455.563 2.786 20 5 JFBDMO Cc1[nH+]ccn1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(N)=O)CC1 ZINC001290506024 1062303373 /nfs/dbraw/zinc/30/33/73/1062303373.db2.gz GKUQBBUQUIDNDT-UHFFFAOYSA-N 1 1 452.519 2.540 20 5 JFBDMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001294792124 1062413314 /nfs/dbraw/zinc/41/33/14/1062413314.db2.gz YKUWUWDEKXHNDC-FQEVSTJZSA-N 1 1 499.616 2.707 20 5 JFBDMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291102182 1063075983 /nfs/dbraw/zinc/07/59/83/1063075983.db2.gz ISXNRNTXRISTLO-KRWDZBQOSA-N 1 1 455.563 2.642 20 5 JFBDMO CC(C)C[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001287752214 1063079588 /nfs/dbraw/zinc/07/95/88/1063079588.db2.gz WPLHBEMANWMLEK-UHFFFAOYSA-N 1 1 476.603 2.599 20 5 JFBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291106244 1063092909 /nfs/dbraw/zinc/09/29/09/1063092909.db2.gz UDSGXBPDOPIQMP-VQTJNVASSA-N 1 1 471.606 2.742 20 5 JFBDMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001291108200 1063098931 /nfs/dbraw/zinc/09/89/31/1063098931.db2.gz RICIJRDGOHSQQE-QWFCFKBJSA-N 1 1 490.630 2.845 20 5 JFBDMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001291136112 1063189784 /nfs/dbraw/zinc/18/97/84/1063189784.db2.gz PZQYDSKLHZXPAB-GOSISDBHSA-N 1 1 455.563 2.586 20 5 JFBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@H]1C)CCC(F)(F)F ZINC001295828182 1063838725 /nfs/dbraw/zinc/83/87/25/1063838725.db2.gz WJPJULGTHORKJJ-OAHLLOKOSA-N 1 1 483.495 2.795 20 5 JFBDMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001296037231 1064097590 /nfs/dbraw/zinc/09/75/90/1064097590.db2.gz LSACHSJXWRZYOR-UYAOXDASSA-N 1 1 469.590 2.936 20 5 JFBDMO CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291610869 1064148321 /nfs/dbraw/zinc/14/83/21/1064148321.db2.gz RAHVROYZRMBAEW-PMACEKPBSA-N 1 1 486.621 2.922 20 5 JFBDMO CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291610872 1064148770 /nfs/dbraw/zinc/14/87/70/1064148770.db2.gz RAHVROYZRMBAEW-WOJBJXKFSA-N 1 1 486.621 2.922 20 5 JFBDMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001296183578 1064328960 /nfs/dbraw/zinc/32/89/60/1064328960.db2.gz FSFVRTNGZSPQNF-IBGZPJMESA-N 1 1 471.606 2.816 20 5 JFBDMO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001296184102 1064331055 /nfs/dbraw/zinc/33/10/55/1064331055.db2.gz VPJBPFNRQFOEIE-NRFANRHFSA-N 1 1 457.552 2.787 20 5 JFBDMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CCn1cc[nH+]c1C ZINC001292117642 1064844999 /nfs/dbraw/zinc/84/49/99/1064844999.db2.gz ODLYFCNHJDNVRT-UHFFFAOYSA-N 1 1 495.588 2.636 20 5 JFBDMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001293220085 1065869380 /nfs/dbraw/zinc/86/93/80/1065869380.db2.gz QLRCPCRANBQBKR-YLJYHZDGSA-N 1 1 455.563 2.689 20 5 JFBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001293363116 1065967104 /nfs/dbraw/zinc/96/71/04/1065967104.db2.gz HFQLJLJKUOGRGI-PKOBYXMFSA-N 1 1 455.563 2.785 20 5 JFBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293364234 1065968276 /nfs/dbraw/zinc/96/82/76/1065968276.db2.gz MGPSPMPRUXPIAI-QUCCMNQESA-N 1 1 476.603 2.741 20 5 JFBDMO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)cc1OC ZINC001294064974 1066535423 /nfs/dbraw/zinc/53/54/23/1066535423.db2.gz UTRDZJFQOZKGSN-UHFFFAOYSA-N 1 1 458.515 2.881 20 5 JFBDMO COC(=O)c1nc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164694918 719888529 /nfs/dbraw/zinc/88/85/29/719888529.db2.gz HGSJFFJFQMANNN-UHFFFAOYSA-N 1 1 467.935 2.758 20 5 JFBDMO COC(=O)c1nc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164694918 719888530 /nfs/dbraw/zinc/88/85/30/719888530.db2.gz HGSJFFJFQMANNN-UHFFFAOYSA-N 1 1 467.935 2.758 20 5 JFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842378 720725947 /nfs/dbraw/zinc/72/59/47/720725947.db2.gz YYOROBFXLZLOPG-LJQANCHMSA-N 1 1 454.531 2.912 20 5 JFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742744 720814422 /nfs/dbraw/zinc/81/44/22/720814422.db2.gz DLVPPXPQDYIKNI-RBSFLKMASA-N 1 1 464.983 2.731 20 5 JFBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748060 720874070 /nfs/dbraw/zinc/87/40/70/720874070.db2.gz DOMRYSBVBVZFJS-NBGIEHNGSA-N 1 1 481.553 2.927 20 5 JFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750764 720897454 /nfs/dbraw/zinc/89/74/54/720897454.db2.gz BTFCZWAIEXVFQK-QPPBQGQZSA-N 1 1 453.543 2.687 20 5 JFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754259 720937682 /nfs/dbraw/zinc/93/76/82/720937682.db2.gz VOYWKBYTPQUFNF-CPJSRVTESA-N 1 1 481.553 2.927 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)O2)CC1 ZINC001164893545 721384378 /nfs/dbraw/zinc/38/43/78/721384378.db2.gz VABHXQPPDPQJRP-VQIMIIECSA-N 1 1 459.925 2.954 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)O2)CC1 ZINC001164894062 721395316 /nfs/dbraw/zinc/39/53/16/721395316.db2.gz XBFYOKNFBAZWHA-BEFAXECRSA-N 1 1 459.925 2.954 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164885590 721398176 /nfs/dbraw/zinc/39/81/76/721398176.db2.gz CQHFPAGNANRRQO-VGSWGCGISA-N 1 1 460.966 2.957 20 5 JFBDMO COc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1[N+](=O)[O-] ZINC001164801575 721555772 /nfs/dbraw/zinc/55/57/72/721555772.db2.gz GWTBSKLASOGUBY-RCZSKKKRSA-N 1 1 450.499 2.810 20 5 JFBDMO COc1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1[N+](=O)[O-] ZINC001164801575 721555777 /nfs/dbraw/zinc/55/57/77/721555777.db2.gz GWTBSKLASOGUBY-RCZSKKKRSA-N 1 1 450.499 2.810 20 5 JFBDMO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001286873442 1061286227 /nfs/dbraw/zinc/28/62/27/1061286227.db2.gz GHKJBYQEUWHTDH-QRVBRYPASA-N 1 1 499.616 2.798 20 5 JFBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001294216953 1061726655 /nfs/dbraw/zinc/72/66/55/1061726655.db2.gz MDCJRHAXIWIVAS-PMACEKPBSA-N 1 1 455.563 2.833 20 5 JFBDMO CCCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001294217980 1061728843 /nfs/dbraw/zinc/72/88/43/1061728843.db2.gz DJIBJEMSRJRKAA-UHFFFAOYSA-N 1 1 453.551 2.635 20 5 JFBDMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC001294333097 1061863156 /nfs/dbraw/zinc/86/31/56/1061863156.db2.gz XESHDVPUJKTFSL-UHFFFAOYSA-N 1 1 452.511 2.903 20 5 JFBDMO CC(C)(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287034597 1061997405 /nfs/dbraw/zinc/99/74/05/1061997405.db2.gz YJAKOTKLFPSFGK-UHFFFAOYSA-N 1 1 486.621 2.607 20 5 JFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nncn2CC)C1 ZINC001294457182 1062004562 /nfs/dbraw/zinc/00/45/62/1062004562.db2.gz MAEZVSHNFIJJQL-KRWDZBQOSA-N 1 1 453.551 2.681 20 5 JFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)COCCO2)C1 ZINC001294458632 1062006136 /nfs/dbraw/zinc/00/61/36/1062006136.db2.gz QSCIRWWWMWSHFT-MBSDFSHPSA-N 1 1 458.563 2.827 20 5 JFBDMO CCC[N@@H+](CC)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001294514070 1062048866 /nfs/dbraw/zinc/04/88/66/1062048866.db2.gz MONBEQWKCBCZFY-UHFFFAOYSA-N 1 1 467.578 2.645 20 5 JFBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001290467345 1062251450 /nfs/dbraw/zinc/25/14/50/1062251450.db2.gz XXVIKBBTOLHHSV-UHFFFAOYSA-N 1 1 453.495 2.844 20 5 JFBDMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001294692449 1062252372 /nfs/dbraw/zinc/25/23/72/1062252372.db2.gz JTADSHNMPLNHOO-QFIPXVFZSA-N 1 1 498.632 2.916 20 5 JFBDMO CC(C)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287181543 1062606765 /nfs/dbraw/zinc/60/67/65/1062606765.db2.gz NCERIFAXIAWNAN-FQEVSTJZSA-N 1 1 457.579 2.889 20 5 JFBDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001287739471 1063062509 /nfs/dbraw/zinc/06/25/09/1063062509.db2.gz RSVSQFJCQXWGBG-OALUTQOASA-N 1 1 469.590 2.888 20 5 JFBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105484 1063088157 /nfs/dbraw/zinc/08/81/57/1063088157.db2.gz JUTBWQYHBHXCPV-AOIWGVFYSA-N 1 1 455.563 2.675 20 5 JFBDMO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001291108199 1063098812 /nfs/dbraw/zinc/09/88/12/1063098812.db2.gz RICIJRDGOHSQQE-HBFSDRIKSA-N 1 1 490.630 2.845 20 5 JFBDMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001291125916 1063151256 /nfs/dbraw/zinc/15/12/56/1063151256.db2.gz DEHRCSPHSMTEHK-IBGZPJMESA-N 1 1 469.590 2.833 20 5 JFBDMO CC(C)NC(=O)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126076 1063153538 /nfs/dbraw/zinc/15/35/38/1063153538.db2.gz GHZCNSRPVHZMRV-GOSISDBHSA-N 1 1 457.579 2.735 20 5 JFBDMO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291214814 1063419566 /nfs/dbraw/zinc/41/95/66/1063419566.db2.gz DWOGULFJWYTOQR-QGZVFWFLSA-N 1 1 455.563 2.642 20 5 JFBDMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001291308479 1063729366 /nfs/dbraw/zinc/72/93/66/1063729366.db2.gz NYERYPHMHSCZHY-GOSISDBHSA-N 1 1 451.531 2.648 20 5 JFBDMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001291308479 1063729376 /nfs/dbraw/zinc/72/93/76/1063729376.db2.gz NYERYPHMHSCZHY-GOSISDBHSA-N 1 1 451.531 2.648 20 5 JFBDMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001291308965 1063732502 /nfs/dbraw/zinc/73/25/02/1063732502.db2.gz WFGFGFADWJZXNW-GOSISDBHSA-N 1 1 453.547 2.591 20 5 JFBDMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001291308965 1063732519 /nfs/dbraw/zinc/73/25/19/1063732519.db2.gz WFGFGFADWJZXNW-GOSISDBHSA-N 1 1 453.547 2.591 20 5 JFBDMO CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001296031090 1064088658 /nfs/dbraw/zinc/08/86/58/1064088658.db2.gz PTKKRFJYFIAYJQ-KRWDZBQOSA-N 1 1 455.563 2.835 20 5 JFBDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCNC(=O)C(C)C ZINC001296088305 1064157760 /nfs/dbraw/zinc/15/77/60/1064157760.db2.gz KICVCBULWWSXPB-FQEVSTJZSA-N 1 1 457.579 2.936 20 5 JFBDMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001292116519 1064839002 /nfs/dbraw/zinc/83/90/02/1064839002.db2.gz RFJGDPDCNCNVFV-UHFFFAOYSA-N 1 1 496.616 2.693 20 5 JFBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164711069 720104197 /nfs/dbraw/zinc/10/41/97/720104197.db2.gz NUOOZZYZLBPKAV-MRXNPFEDSA-N 1 1 490.948 2.727 20 5 JFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CCC2 ZINC001164814712 720219134 /nfs/dbraw/zinc/21/91/34/720219134.db2.gz WFQUUSLIQJZXEB-UHFFFAOYSA-N 1 1 456.881 2.995 20 5 JFBDMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740015 720832174 /nfs/dbraw/zinc/83/21/74/720832174.db2.gz BNPZACZKHFFIMT-RBSFLKMASA-N 1 1 464.983 2.731 20 5 JFBDMO COc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164757436 720889014 /nfs/dbraw/zinc/88/90/14/720889014.db2.gz URQQEHWODSXNJJ-DVECYGJZSA-N 1 1 484.557 2.552 20 5 JFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758786 720889967 /nfs/dbraw/zinc/88/99/67/720889967.db2.gz ZKSOPTBTRYGMAH-YKSBVNFPSA-N 1 1 468.558 2.852 20 5 JFBDMO CCc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164877153 721288457 /nfs/dbraw/zinc/28/84/57/721288457.db2.gz LRIJKRDBNXTVFO-UHFFFAOYSA-N 1 1 482.585 2.621 20 5 JFBDMO COC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c([N+](=O)[O-])c1 ZINC001164776869 721342837 /nfs/dbraw/zinc/34/28/37/721342837.db2.gz DVKDWCQYUFDHPD-QFIPXVFZSA-N 1 1 459.503 2.500 20 5 JFBDMO COC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c([N+](=O)[O-])c1 ZINC001164776869 721342843 /nfs/dbraw/zinc/34/28/43/721342843.db2.gz DVKDWCQYUFDHPD-QFIPXVFZSA-N 1 1 459.503 2.500 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)O2)CC1 ZINC001164893542 721384308 /nfs/dbraw/zinc/38/43/08/721384308.db2.gz VABHXQPPDPQJRP-APWZRJJASA-N 1 1 459.925 2.954 20 5 JFBDMO CSc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164891161 721416032 /nfs/dbraw/zinc/41/60/32/721416032.db2.gz VKADASGTHUENKA-IFXJQAMLSA-N 1 1 457.000 2.526 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164893091 721435584 /nfs/dbraw/zinc/43/55/84/721435584.db2.gz IZSCUIMWJOJJFW-FZKQIMNGSA-N 1 1 478.903 2.822 20 5 JFBDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165011450 721745110 /nfs/dbraw/zinc/74/51/10/721745110.db2.gz XOTCGIXTTLOMSA-UHFFFAOYSA-N 1 1 450.849 2.580 20 5 JFBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164910441 721776330 /nfs/dbraw/zinc/77/63/30/721776330.db2.gz BSMIIGKMDVUEHR-JOCHJYFZSA-N 1 1 470.917 2.694 20 5 JFBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164910441 721776335 /nfs/dbraw/zinc/77/63/35/721776335.db2.gz BSMIIGKMDVUEHR-JOCHJYFZSA-N 1 1 470.917 2.694 20 5 JFBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979093 722103112 /nfs/dbraw/zinc/10/31/12/722103112.db2.gz HBRAVORSHKFZCF-SJLPKXTDSA-N 1 1 475.933 2.942 20 5 JFBDMO C[C@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001264708165 1059653360 /nfs/dbraw/zinc/65/33/60/1059653360.db2.gz MKLLCSAOZYBQIS-INIZCTEOSA-N 1 1 458.490 2.815 20 5 JFBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC001265127836 1059774903 /nfs/dbraw/zinc/77/49/03/1059774903.db2.gz FFVHTRAQSNQFNU-IXDOHACOSA-N 1 1 452.577 2.514 20 5 JFBDMO CC[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265836651 1059933263 /nfs/dbraw/zinc/93/32/63/1059933263.db2.gz MPLUPPXBHJXIEV-WOJBJXKFSA-N 1 1 450.499 2.585 20 5 JFBDMO CC[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265836651 1059933289 /nfs/dbraw/zinc/93/32/89/1059933289.db2.gz MPLUPPXBHJXIEV-WOJBJXKFSA-N 1 1 450.499 2.585 20 5 JFBDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCc2cccs2)CC1 ZINC001286888767 1061343604 /nfs/dbraw/zinc/34/36/04/1061343604.db2.gz FFHHLFATRLYHEA-UHFFFAOYSA-N 1 1 483.598 2.758 20 5 JFBDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001286888760 1061343720 /nfs/dbraw/zinc/34/37/20/1061343720.db2.gz DTFBPIMEUUZGME-NRFANRHFSA-N 1 1 487.630 2.595 20 5 JFBDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001286889322 1061347587 /nfs/dbraw/zinc/34/75/87/1061347587.db2.gz JMUSKFMNSHNTFR-HXUWFJFHSA-N 1 1 467.574 2.810 20 5 JFBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001294216956 1061726387 /nfs/dbraw/zinc/72/63/87/1061726387.db2.gz MDCJRHAXIWIVAS-WOJBJXKFSA-N 1 1 455.563 2.833 20 5 JFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCSC2)C1 ZINC001294456091 1062003070 /nfs/dbraw/zinc/00/30/70/1062003070.db2.gz HNDZYDVSFQMLBO-VGOFRKELSA-N 1 1 460.604 2.889 20 5 JFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nncn2CC)C1 ZINC001294457185 1062004729 /nfs/dbraw/zinc/00/47/29/1062004729.db2.gz MAEZVSHNFIJJQL-QGZVFWFLSA-N 1 1 453.551 2.681 20 5 JFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)COCCO2)C1 ZINC001294458635 1062006034 /nfs/dbraw/zinc/00/60/34/1062006034.db2.gz QSCIRWWWMWSHFT-WZONZLPQSA-N 1 1 458.563 2.827 20 5 JFBDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001294648582 1062187865 /nfs/dbraw/zinc/18/78/65/1062187865.db2.gz KGRBVZCRMSTUNY-VQTJNVASSA-N 1 1 469.590 2.938 20 5 JFBDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)CC1 ZINC001294697926 1062259894 /nfs/dbraw/zinc/25/98/94/1062259894.db2.gz GSMBSCQUDWJPJZ-NRFANRHFSA-N 1 1 455.563 2.786 20 5 JFBDMO Cc1[nH+]ccn1CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001290515198 1062314374 /nfs/dbraw/zinc/31/43/74/1062314374.db2.gz VNCLDZHLSZGYKH-HZPDHXFCSA-N 1 1 475.575 2.706 20 5 JFBDMO CC(C)C(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001287120427 1062363094 /nfs/dbraw/zinc/36/30/94/1062363094.db2.gz LHUCYNAKSIOSMZ-UHFFFAOYSA-N 1 1 499.616 2.705 20 5 JFBDMO CC(C)C(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001287120427 1062363118 /nfs/dbraw/zinc/36/31/18/1062363118.db2.gz LHUCYNAKSIOSMZ-UHFFFAOYSA-N 1 1 499.616 2.705 20 5 JFBDMO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290744003 1062662575 /nfs/dbraw/zinc/66/25/75/1062662575.db2.gz TZBFRTZYDYMUPM-NRFANRHFSA-N 1 1 455.563 2.606 20 5 JFBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291106082 1063091388 /nfs/dbraw/zinc/09/13/88/1063091388.db2.gz RJFBTAFFBRMXQM-FGTMMUONSA-N 1 1 455.563 2.641 20 5 JFBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106243 1063092342 /nfs/dbraw/zinc/09/23/42/1063092342.db2.gz UDSGXBPDOPIQMP-UXHICEINSA-N 1 1 471.606 2.742 20 5 JFBDMO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001291108201 1063098658 /nfs/dbraw/zinc/09/86/58/1063098658.db2.gz RICIJRDGOHSQQE-WSTZPKSXSA-N 1 1 490.630 2.845 20 5 JFBDMO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001291152873 1063243196 /nfs/dbraw/zinc/24/31/96/1063243196.db2.gz VWIFIVJVYQQUFB-XLIONFOSSA-N 1 1 455.563 2.642 20 5 JFBDMO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+](C)C2CCCCC2)CC(=O)N1C ZINC001291215690 1063428353 /nfs/dbraw/zinc/42/83/53/1063428353.db2.gz UIFHNZUBRJPBGQ-QGZVFWFLSA-N 1 1 455.563 2.785 20 5 JFBDMO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+](C)C2CCCCC2)CC(=O)N1C ZINC001291215689 1063428456 /nfs/dbraw/zinc/42/84/56/1063428456.db2.gz UIFHNZUBRJPBGQ-KRWDZBQOSA-N 1 1 455.563 2.785 20 5 JFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)C(C)(C)C ZINC001291294902 1063692570 /nfs/dbraw/zinc/69/25/70/1063692570.db2.gz RBRXIGJZKCEJAC-VQIMIIECSA-N 1 1 455.563 2.689 20 5 JFBDMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001291307415 1063722995 /nfs/dbraw/zinc/72/29/95/1063722995.db2.gz SUUPOTBVFYYQAS-GOSISDBHSA-N 1 1 451.531 2.648 20 5 JFBDMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001291307415 1063723004 /nfs/dbraw/zinc/72/30/04/1063723004.db2.gz SUUPOTBVFYYQAS-GOSISDBHSA-N 1 1 451.531 2.648 20 5 JFBDMO C[C@H]1CSCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291310946 1063740972 /nfs/dbraw/zinc/74/09/72/1063740972.db2.gz LOAPRJMQZOLWIW-PXNSSMCTSA-N 1 1 487.630 2.738 20 5 JFBDMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cc[nH+]c2C)C1 ZINC001291337592 1063805232 /nfs/dbraw/zinc/80/52/32/1063805232.db2.gz CLIUMEKXWDOHGT-LJQANCHMSA-N 1 1 466.546 2.944 20 5 JFBDMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001296036245 1064095702 /nfs/dbraw/zinc/09/57/02/1064095702.db2.gz HWZPQQQTBVGUNX-GOSISDBHSA-N 1 1 484.605 2.825 20 5 JFBDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001296059968 1064124007 /nfs/dbraw/zinc/12/40/07/1064124007.db2.gz LTMAAGDQTNHSHG-FUHWJXTLSA-N 1 1 495.506 2.842 20 5 JFBDMO CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001291608486 1064145896 /nfs/dbraw/zinc/14/58/96/1064145896.db2.gz DEWABZUGOGMRSG-CTNGQTDRSA-N 1 1 486.621 2.778 20 5 JFBDMO CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001291608489 1064145911 /nfs/dbraw/zinc/14/59/11/1064145911.db2.gz DEWABZUGOGMRSG-FPOVZHCZSA-N 1 1 486.621 2.778 20 5 JFBDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001296088333 1064157817 /nfs/dbraw/zinc/15/78/17/1064157817.db2.gz KMJLVDUPPVWVAP-QUCCMNQESA-N 1 1 455.563 2.690 20 5 JFBDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001291772237 1064255545 /nfs/dbraw/zinc/25/55/45/1064255545.db2.gz PKQFJTGCTNRFMJ-GOSISDBHSA-N 1 1 465.562 2.700 20 5 JFBDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296182905 1064325365 /nfs/dbraw/zinc/32/53/65/1064325365.db2.gz AUQJYTKQFUHEBR-IBGZPJMESA-N 1 1 495.632 2.805 20 5 JFBDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296184320 1064331654 /nfs/dbraw/zinc/33/16/54/1064331654.db2.gz JQBHYWHMPDLRES-KNQAVFIVSA-N 1 1 471.606 2.742 20 5 JFBDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296184322 1064331722 /nfs/dbraw/zinc/33/17/22/1064331722.db2.gz JQBHYWHMPDLRES-SIKLNZKXSA-N 1 1 471.606 2.742 20 5 JFBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2)CCO1 ZINC001291990925 1064607077 /nfs/dbraw/zinc/60/70/77/1064607077.db2.gz OJALMQPWZWOVLG-GOSISDBHSA-N 1 1 454.527 2.582 20 5 JFBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2)CCO1 ZINC001291990925 1064607082 /nfs/dbraw/zinc/60/70/82/1064607082.db2.gz OJALMQPWZWOVLG-GOSISDBHSA-N 1 1 454.527 2.582 20 5 JFBDMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC001292004043 1064624267 /nfs/dbraw/zinc/62/42/67/1064624267.db2.gz GXMVHEVTJQVINS-INIZCTEOSA-N 1 1 450.492 3.000 20 5 JFBDMO CCC(O)(CC)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001292272044 1065049543 /nfs/dbraw/zinc/04/95/43/1065049543.db2.gz LNPLOCKWFNEJCI-QFIPXVFZSA-N 1 1 458.563 2.705 20 5 JFBDMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001293220082 1065868632 /nfs/dbraw/zinc/86/86/32/1065868632.db2.gz QLRCPCRANBQBKR-FXAWDEMLSA-N 1 1 455.563 2.689 20 5 JFBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001293279754 1065931472 /nfs/dbraw/zinc/93/14/72/1065931472.db2.gz CAMCLZNXHYVLDQ-GOSISDBHSA-N 1 1 456.568 2.882 20 5 JFBDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293364232 1065968468 /nfs/dbraw/zinc/96/84/68/1065968468.db2.gz MGPSPMPRUXPIAI-AZUAARDMSA-N 1 1 476.603 2.741 20 5 JFBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CC[N@H+]1CCOC ZINC001293540909 1066060293 /nfs/dbraw/zinc/06/02/93/1066060293.db2.gz RKIUUYLBRRRHIN-PZJWPPBQSA-N 1 1 458.563 2.969 20 5 JFBDMO CCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001293806563 1066316126 /nfs/dbraw/zinc/31/61/26/1066316126.db2.gz OAVWRWSLPVKYNM-MBSDFSHPSA-N 1 1 458.563 2.563 20 5 JFBDMO CCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001293806561 1066316262 /nfs/dbraw/zinc/31/62/62/1066316262.db2.gz OAVWRWSLPVKYNM-FDDCHVKYSA-N 1 1 458.563 2.563 20 5 JFBDMO CCOC(=O)c1nc(Cl)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC001164648773 719307612 /nfs/dbraw/zinc/30/76/12/719307612.db2.gz RKDSYFPAQJXTLQ-UHFFFAOYSA-N 1 1 451.915 2.617 20 5 JFBDMO CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164838505 720511220 /nfs/dbraw/zinc/51/12/20/720511220.db2.gz RNDFKPLXGLDHCI-HRCADAONSA-N 1 1 477.953 2.789 20 5 JFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742745 720814700 /nfs/dbraw/zinc/81/47/00/720814700.db2.gz DLVPPXPQDYIKNI-RRFJBIMHSA-N 1 1 464.983 2.731 20 5 JFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742141 720819925 /nfs/dbraw/zinc/81/99/25/720819925.db2.gz PYWRKGLJWDZFDE-HZSPNIEDSA-N 1 1 453.334 2.663 20 5 JFBDMO COc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164749127 720868872 /nfs/dbraw/zinc/86/88/72/720868872.db2.gz GZZADNMBQNGSFC-WMZHIEFXSA-N 1 1 454.531 2.544 20 5 JFBDMO COc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164749126 720869182 /nfs/dbraw/zinc/86/91/82/720869182.db2.gz GZZADNMBQNGSFC-CVDCTZTESA-N 1 1 454.531 2.544 20 5 JFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758785 720889856 /nfs/dbraw/zinc/88/98/56/720889856.db2.gz ZKSOPTBTRYGMAH-RDPSFJRHSA-N 1 1 468.558 2.852 20 5 JFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750775 720897115 /nfs/dbraw/zinc/89/71/15/720897115.db2.gz BTFCZWAIEXVFQK-URXFXBBRSA-N 1 1 453.543 2.687 20 5 JFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750781 720897303 /nfs/dbraw/zinc/89/73/03/720897303.db2.gz BTFCZWAIEXVFQK-XUZZJYLKSA-N 1 1 453.543 2.687 20 5 JFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164751445 720934642 /nfs/dbraw/zinc/93/46/42/720934642.db2.gz MLIKSAJUQLGUKD-OFVILXPXSA-N 1 1 495.584 2.802 20 5 JFBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880435 721146028 /nfs/dbraw/zinc/14/60/28/721146028.db2.gz WRJDFEFLPMFSQR-OLZOCXBDSA-N 1 1 458.828 2.932 20 5 JFBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880434 721147574 /nfs/dbraw/zinc/14/75/74/721147574.db2.gz WRJDFEFLPMFSQR-CHWSQXEVSA-N 1 1 458.828 2.932 20 5 JFBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164892889 721386827 /nfs/dbraw/zinc/38/68/27/721386827.db2.gz UGNWOISQGVOAMS-AOMKIAJQSA-N 1 1 481.981 2.585 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886252 721398434 /nfs/dbraw/zinc/39/84/34/721398434.db2.gz DSBNEBNKYFVOOP-ZHRRBRCNSA-N 1 1 460.966 2.957 20 5 JFBDMO CSc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164891162 721416333 /nfs/dbraw/zinc/41/63/33/721416333.db2.gz VKADASGTHUENKA-KUHUBIRLSA-N 1 1 457.000 2.526 20 5 JFBDMO CCOC(=O)c1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164896921 721513501 /nfs/dbraw/zinc/51/35/01/721513501.db2.gz CKQLNHIITVKWDC-HIFRSBDPSA-N 1 1 465.869 2.696 20 5 JFBDMO CCOC(=O)c1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164896920 721513834 /nfs/dbraw/zinc/51/38/34/721513834.db2.gz CKQLNHIITVKWDC-DZGCQCFKSA-N 1 1 465.869 2.696 20 5 JFBDMO COc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164906066 721704361 /nfs/dbraw/zinc/70/43/61/721704361.db2.gz JPOPBGWZRMOQSU-IBGZPJMESA-N 1 1 450.446 2.535 20 5 JFBDMO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1[N+](=O)[O-] ZINC001164959713 722052119 /nfs/dbraw/zinc/05/21/19/722052119.db2.gz NKOWUIDKBARAEI-UHFFFAOYSA-N 1 1 490.948 2.729 20 5 JFBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979096 722102880 /nfs/dbraw/zinc/10/28/80/722102880.db2.gz HBRAVORSHKFZCF-WMZOPIPTSA-N 1 1 475.933 2.942 20 5 JFBDMO CSc1nc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164982599 722123837 /nfs/dbraw/zinc/12/38/37/722123837.db2.gz XIHATSYPFJCXRV-CABCVRRESA-N 1 1 450.952 2.882 20 5 JFBDMO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1)C2 ZINC001165006137 722268159 /nfs/dbraw/zinc/26/81/59/722268159.db2.gz HBSQNIVSTKOWRV-HKPHNFCXSA-N 1 1 454.506 2.589 20 5 JFBDMO CC[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265836649 1059932581 /nfs/dbraw/zinc/93/25/81/1059932581.db2.gz MPLUPPXBHJXIEV-UXHICEINSA-N 1 1 450.499 2.585 20 5 JFBDMO CC[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265836649 1059932606 /nfs/dbraw/zinc/93/26/06/1059932606.db2.gz MPLUPPXBHJXIEV-UXHICEINSA-N 1 1 450.499 2.585 20 5 JFBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001279867650 1059996087 /nfs/dbraw/zinc/99/60/87/1059996087.db2.gz KVOXMKASCCCNHU-SJLPKXTDSA-N 1 1 458.540 2.660 20 5 JFBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001279867650 1059996111 /nfs/dbraw/zinc/99/61/11/1059996111.db2.gz KVOXMKASCCCNHU-SJLPKXTDSA-N 1 1 458.540 2.660 20 5 JFBDMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286906233 1061424460 /nfs/dbraw/zinc/42/44/60/1061424460.db2.gz GSMVRJJFNYPLSA-YLJYHZDGSA-N 1 1 455.563 2.690 20 5 JFBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001294216955 1061726783 /nfs/dbraw/zinc/72/67/83/1061726783.db2.gz MDCJRHAXIWIVAS-VQTJNVASSA-N 1 1 455.563 2.833 20 5 JFBDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001294648583 1062187936 /nfs/dbraw/zinc/18/79/36/1062187936.db2.gz KGRBVZCRMSTUNY-WOJBJXKFSA-N 1 1 469.590 2.938 20 5 JFBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001294692448 1062252462 /nfs/dbraw/zinc/25/24/62/1062252462.db2.gz JTADSHNMPLNHOO-JOCHJYFZSA-N 1 1 498.632 2.916 20 5 JFBDMO CCCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CC=CCC2)CC1=O ZINC001294721632 1062298538 /nfs/dbraw/zinc/29/85/38/1062298538.db2.gz PULRVACRXGUING-UHFFFAOYSA-N 1 1 453.547 2.564 20 5 JFBDMO Cc1[nH+]ccn1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001290507519 1062305643 /nfs/dbraw/zinc/30/56/43/1062305643.db2.gz PDKXIVQKYNVTLS-UHFFFAOYSA-N 1 1 466.546 2.930 20 5 JFBDMO CN1CC[NH+](Cc2ccc(CNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)cc2)CC1 ZINC001290921069 1062796463 /nfs/dbraw/zinc/79/64/63/1062796463.db2.gz TULJGSCQZNMIJO-UHFFFAOYSA-N 1 1 452.490 2.597 20 5 JFBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291105287 1063086439 /nfs/dbraw/zinc/08/64/39/1063086439.db2.gz HHDDGCXLCOSERN-SQNIBIBYSA-N 1 1 455.563 2.641 20 5 JFBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291105285 1063086882 /nfs/dbraw/zinc/08/68/82/1063086882.db2.gz HHDDGCXLCOSERN-KURKYZTESA-N 1 1 455.563 2.641 20 5 JFBDMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001291105939 1063089495 /nfs/dbraw/zinc/08/94/95/1063089495.db2.gz PSOSKLARPDGTNS-LMMKCTJWSA-N 1 1 455.563 2.894 20 5 JFBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106245 1063092736 /nfs/dbraw/zinc/09/27/36/1063092736.db2.gz UDSGXBPDOPIQMP-WOJBJXKFSA-N 1 1 471.606 2.742 20 5 JFBDMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001291135921 1063189821 /nfs/dbraw/zinc/18/98/21/1063189821.db2.gz MPDQOEVTXWCWET-SFHVURJKSA-N 1 1 478.557 2.997 20 5 JFBDMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001291135920 1063189868 /nfs/dbraw/zinc/18/98/68/1063189868.db2.gz MPDQOEVTXWCWET-GOSISDBHSA-N 1 1 478.557 2.997 20 5 JFBDMO C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001291152871 1063243127 /nfs/dbraw/zinc/24/31/27/1063243127.db2.gz VWIFIVJVYQQUFB-FXAWDEMLSA-N 1 1 455.563 2.642 20 5 JFBDMO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291215984 1063431961 /nfs/dbraw/zinc/43/19/61/1063431961.db2.gz ZULWIERYEPPQSP-GHTZIAJQSA-N 1 1 499.616 2.800 20 5 JFBDMO CC(C)c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287418 1063638895 /nfs/dbraw/zinc/63/88/95/1063638895.db2.gz BEGHFKWQCHBNLX-HDICACEKSA-N 1 1 460.583 2.847 20 5 JFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)C(C)(C)C ZINC001291294899 1063692553 /nfs/dbraw/zinc/69/25/53/1063692553.db2.gz RBRXIGJZKCEJAC-APWZRJJASA-N 1 1 455.563 2.689 20 5 JFBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001295980262 1064029997 /nfs/dbraw/zinc/02/99/97/1064029997.db2.gz YJDLVJCTCMAWCK-SJORKVTESA-N 1 1 476.603 2.597 20 5 JFBDMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)C1 ZINC001296037228 1064097601 /nfs/dbraw/zinc/09/76/01/1064097601.db2.gz LSACHSJXWRZYOR-ICSRJNTNSA-N 1 1 469.590 2.936 20 5 JFBDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCNC(=O)C(C)C ZINC001296088306 1064157750 /nfs/dbraw/zinc/15/77/50/1064157750.db2.gz KICVCBULWWSXPB-HXUWFJFHSA-N 1 1 457.579 2.936 20 5 JFBDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001291763800 1064244771 /nfs/dbraw/zinc/24/47/71/1064244771.db2.gz XKNRBPDRWBJWKY-LJQANCHMSA-N 1 1 484.605 2.921 20 5 JFBDMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001291781407 1064268393 /nfs/dbraw/zinc/26/83/93/1064268393.db2.gz FQRCEXNJTNGHEV-IBGZPJMESA-N 1 1 479.589 2.624 20 5 JFBDMO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)CC1)[NH+]1CCOCC1 ZINC001291955490 1064569974 /nfs/dbraw/zinc/56/99/74/1064569974.db2.gz VODDCLHFQSAZNY-NRFANRHFSA-N 1 1 490.630 2.559 20 5 JFBDMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001292116272 1064837630 /nfs/dbraw/zinc/83/76/30/1064837630.db2.gz QTNLUUDJLQNQBL-LJQANCHMSA-N 1 1 498.632 2.916 20 5 JFBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001293279755 1065931522 /nfs/dbraw/zinc/93/15/22/1065931522.db2.gz CAMCLZNXHYVLDQ-SFHVURJKSA-N 1 1 456.568 2.882 20 5 JFBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001293839661 1066343700 /nfs/dbraw/zinc/34/37/00/1066343700.db2.gz ZQXHKCMEVBFKLX-IBGZPJMESA-N 1 1 454.527 2.704 20 5 JFBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)CC2 ZINC001164712959 720099023 /nfs/dbraw/zinc/09/90/23/720099023.db2.gz ZCYUXGQGSFGJNM-IBGZPJMESA-N 1 1 455.515 2.679 20 5 JFBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164752070 720793642 /nfs/dbraw/zinc/79/36/42/720793642.db2.gz YMZGPJGHJUCGPG-HZPDHXFCSA-N 1 1 453.890 2.837 20 5 JFBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)ccc1Cl ZINC001164752072 720795751 /nfs/dbraw/zinc/79/57/51/720795751.db2.gz YMZGPJGHJUCGPG-JKSUJKDBSA-N 1 1 453.890 2.837 20 5 JFBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752818 720814057 /nfs/dbraw/zinc/81/40/57/720814057.db2.gz ZYYBTQFELOFESL-LZLYRXPVSA-N 1 1 489.964 2.791 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164893093 721435841 /nfs/dbraw/zinc/43/58/41/721435841.db2.gz IZSCUIMWJOJJFW-SCLBCKFNSA-N 1 1 478.903 2.822 20 5 JFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912536 721765446 /nfs/dbraw/zinc/76/54/46/721765446.db2.gz YYYZONJEKGGXML-UHFFFAOYSA-N 1 1 451.487 2.834 20 5 JFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912536 721765450 /nfs/dbraw/zinc/76/54/50/721765450.db2.gz YYYZONJEKGGXML-UHFFFAOYSA-N 1 1 451.487 2.834 20 5 JFBDMO CN(C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001265246586 1059805235 /nfs/dbraw/zinc/80/52/35/1059805235.db2.gz AUXGCSKISCKNMN-QGZVFWFLSA-N 1 1 454.483 2.785 20 5 JFBDMO CN(CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001265868892 1059936825 /nfs/dbraw/zinc/93/68/25/1059936825.db2.gz XGRNWNVEAGWLDB-HOTGVXAUSA-N 1 1 455.353 2.553 20 5 JFBDMO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001265868893 1059936932 /nfs/dbraw/zinc/93/69/32/1059936932.db2.gz XGRNWNVEAGWLDB-HZPDHXFCSA-N 1 1 455.353 2.553 20 5 JFBDMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286906232 1061424446 /nfs/dbraw/zinc/42/44/46/1061424446.db2.gz GSMVRJJFNYPLSA-XLIONFOSSA-N 1 1 455.563 2.690 20 5 JFBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1 ZINC001289850458 1061523939 /nfs/dbraw/zinc/52/39/39/1061523939.db2.gz MFYJEQYJVDFXGA-LSTHTHJFSA-N 1 1 459.524 2.741 20 5 JFBDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294307877 1061795207 /nfs/dbraw/zinc/79/52/07/1061795207.db2.gz GLPFIRAMTQRCOP-QFIPXVFZSA-N 1 1 499.616 2.803 20 5 JFBDMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCOCC2)C1 ZINC001286980469 1061813051 /nfs/dbraw/zinc/81/30/51/1061813051.db2.gz BYSYINVNAYVHPT-FQEVSTJZSA-N 1 1 499.616 2.707 20 5 JFBDMO CC(C)(C)c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287000037 1061913479 /nfs/dbraw/zinc/91/34/79/1061913479.db2.gz VVJYPFKVBASDGZ-UHFFFAOYSA-N 1 1 460.583 2.633 20 5 JFBDMO CCCCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001294353153 1061919244 /nfs/dbraw/zinc/91/92/44/1061919244.db2.gz CGUBXRIBNGRARO-IBGZPJMESA-N 1 1 499.616 2.707 20 5 JFBDMO CCCCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001294353153 1061919261 /nfs/dbraw/zinc/91/92/61/1061919261.db2.gz CGUBXRIBNGRARO-IBGZPJMESA-N 1 1 499.616 2.707 20 5 JFBDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294700521 1062266730 /nfs/dbraw/zinc/26/67/30/1062266730.db2.gz TYJVVSQMNKJCEF-XLIONFOSSA-N 1 1 455.563 2.785 20 5 JFBDMO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290742531 1062662690 /nfs/dbraw/zinc/66/26/90/1062662690.db2.gz BMAOPWGPDQQFOL-OAQYLSRUSA-N 1 1 457.579 2.852 20 5 JFBDMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)cc2)CC1 ZINC001290920172 1062795210 /nfs/dbraw/zinc/79/52/10/1062795210.db2.gz DZRZBYARBPPCCV-UHFFFAOYSA-N 1 1 454.527 2.824 20 5 JFBDMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1 ZINC001291096339 1063057482 /nfs/dbraw/zinc/05/74/82/1063057482.db2.gz CHQAMLUHBWZXFP-SFHVURJKSA-N 1 1 455.563 2.834 20 5 JFBDMO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001291105940 1063090202 /nfs/dbraw/zinc/09/02/02/1063090202.db2.gz PSOSKLARPDGTNS-ZHALLVOQSA-N 1 1 455.563 2.894 20 5 JFBDMO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001291152874 1063243299 /nfs/dbraw/zinc/24/32/99/1063243299.db2.gz VWIFIVJVYQQUFB-YLJYHZDGSA-N 1 1 455.563 2.642 20 5 JFBDMO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291215985 1063431921 /nfs/dbraw/zinc/43/19/21/1063431921.db2.gz ZULWIERYEPPQSP-NQIIRXRSSA-N 1 1 499.616 2.800 20 5 JFBDMO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001295724690 1063740354 /nfs/dbraw/zinc/74/03/54/1063740354.db2.gz YSBWJDCJENQEGJ-FQEVSTJZSA-N 1 1 458.563 2.969 20 5 JFBDMO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001295724690 1063740367 /nfs/dbraw/zinc/74/03/67/1063740367.db2.gz YSBWJDCJENQEGJ-FQEVSTJZSA-N 1 1 458.563 2.969 20 5 JFBDMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+](CC)C2CC2)C1 ZINC001291337982 1063806632 /nfs/dbraw/zinc/80/66/32/1063806632.db2.gz KJNCNLKJFYYBGS-SFHVURJKSA-N 1 1 455.563 2.833 20 5 JFBDMO CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001291608493 1064145875 /nfs/dbraw/zinc/14/58/75/1064145875.db2.gz DEWABZUGOGMRSG-TZIWHRDSSA-N 1 1 486.621 2.778 20 5 JFBDMO CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001291608491 1064145888 /nfs/dbraw/zinc/14/58/88/1064145888.db2.gz DEWABZUGOGMRSG-PZJWPPBQSA-N 1 1 486.621 2.778 20 5 JFBDMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001296131820 1064227414 /nfs/dbraw/zinc/22/74/14/1064227414.db2.gz NTNTZKPHZMAICZ-OAQYLSRUSA-N 1 1 484.649 2.737 20 5 JFBDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291762505 1064243274 /nfs/dbraw/zinc/24/32/74/1064243274.db2.gz TXOBLUNYJJCDKH-INIZCTEOSA-N 1 1 464.592 2.597 20 5 JFBDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001291763799 1064244674 /nfs/dbraw/zinc/24/46/74/1064244674.db2.gz XKNRBPDRWBJWKY-IBGZPJMESA-N 1 1 484.605 2.921 20 5 JFBDMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001291781408 1064268887 /nfs/dbraw/zinc/26/88/87/1064268887.db2.gz FQRCEXNJTNGHEV-LJQANCHMSA-N 1 1 479.589 2.624 20 5 JFBDMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCCOC(F)F)C2)CC1 ZINC001296179861 1064309949 /nfs/dbraw/zinc/30/99/49/1064309949.db2.gz JKQYVCDCSKELRS-IBGZPJMESA-N 1 1 479.532 2.699 20 5 JFBDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001296183579 1064328858 /nfs/dbraw/zinc/32/88/58/1064328858.db2.gz FSFVRTNGZSPQNF-LJQANCHMSA-N 1 1 471.606 2.816 20 5 JFBDMO CC[NH+]1CCN(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001296205894 1064392578 /nfs/dbraw/zinc/39/25/78/1064392578.db2.gz FIPCTNLBPWBLCP-QFIPXVFZSA-N 1 1 471.606 2.742 20 5 JFBDMO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001293137232 1065787693 /nfs/dbraw/zinc/78/76/93/1065787693.db2.gz LSXSSSLOFWLUJA-UHFFFAOYSA-N 1 1 450.499 2.540 20 5 JFBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(F)cn2)CC[N@H+]1CCOC ZINC001293542240 1066062282 /nfs/dbraw/zinc/06/22/82/1066062282.db2.gz ZEWFZRBAPVCQPL-FQEVSTJZSA-N 1 1 469.521 2.983 20 5 JFBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])CC2 ZINC001164714530 720158077 /nfs/dbraw/zinc/15/80/77/720158077.db2.gz QIJTZXXBXXXBBH-GOSISDBHSA-N 1 1 455.515 2.679 20 5 JFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC001164810932 720210364 /nfs/dbraw/zinc/21/03/64/720210364.db2.gz FPPXMXNPTSRRDB-UHFFFAOYSA-N 1 1 456.881 2.995 20 5 JFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742747 720814321 /nfs/dbraw/zinc/81/43/21/720814321.db2.gz DLVPPXPQDYIKNI-SOUVJXGZSA-N 1 1 464.983 2.731 20 5 JFBDMO COc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164749125 720868422 /nfs/dbraw/zinc/86/84/22/720868422.db2.gz GZZADNMBQNGSFC-AUSIDOKSSA-N 1 1 454.531 2.544 20 5 JFBDMO COC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755699 720894719 /nfs/dbraw/zinc/89/47/19/720894719.db2.gz MTBHDOZDCJLRQG-CJFMBICVSA-N 1 1 481.553 2.927 20 5 JFBDMO CCOC(=O)c1nc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164854559 720928758 /nfs/dbraw/zinc/92/87/58/720928758.db2.gz FXCOUJDGZXQOGJ-LBPRGKRZSA-N 1 1 451.915 2.833 20 5 JFBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164776566 721336556 /nfs/dbraw/zinc/33/65/56/721336556.db2.gz GOEMWGQBEXYNQT-QFIPXVFZSA-N 1 1 459.503 2.500 20 5 JFBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164776566 721336558 /nfs/dbraw/zinc/33/65/58/721336558.db2.gz GOEMWGQBEXYNQT-QFIPXVFZSA-N 1 1 459.503 2.500 20 5 JFBDMO COC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776860 721353805 /nfs/dbraw/zinc/35/38/05/721353805.db2.gz DPGRWSTXDHIBPI-JOCHJYFZSA-N 1 1 459.503 2.500 20 5 JFBDMO COC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776860 721353808 /nfs/dbraw/zinc/35/38/08/721353808.db2.gz DPGRWSTXDHIBPI-JOCHJYFZSA-N 1 1 459.503 2.500 20 5 JFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889779 721388177 /nfs/dbraw/zinc/38/81/77/721388177.db2.gz MHQTXGWASSUGNC-KUHUBIRLSA-N 1 1 457.000 2.526 20 5 JFBDMO CSc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164891158 721416656 /nfs/dbraw/zinc/41/66/56/721416656.db2.gz VKADASGTHUENKA-AUUYWEPGSA-N 1 1 457.000 2.526 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C3)O2)CC1 ZINC001164888741 721441547 /nfs/dbraw/zinc/44/15/47/721441547.db2.gz APCJSCKLKQSCGN-NTKDMRAZSA-N 1 1 452.559 2.817 20 5 JFBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])CC2 ZINC001164786480 721473788 /nfs/dbraw/zinc/47/37/88/721473788.db2.gz BLPKNXAUJVRJRH-GOSISDBHSA-N 1 1 462.547 2.510 20 5 JFBDMO CCOC(=O)c1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164896922 721513296 /nfs/dbraw/zinc/51/32/96/721513296.db2.gz CKQLNHIITVKWDC-UKRRQHHQSA-N 1 1 465.869 2.696 20 5 JFBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])CC1 ZINC001165031114 721845045 /nfs/dbraw/zinc/84/50/45/721845045.db2.gz SRSXIJRVHJCJDW-UHFFFAOYSA-N 1 1 458.519 2.770 20 5 JFBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164932009 721885004 /nfs/dbraw/zinc/88/50/04/721885004.db2.gz HESVBSQHWCMIGJ-SJORKVTESA-N 1 1 470.603 2.676 20 5 JFBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164932009 721885005 /nfs/dbraw/zinc/88/50/05/721885005.db2.gz HESVBSQHWCMIGJ-SJORKVTESA-N 1 1 470.603 2.676 20 5 JFBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC001265127838 1059774943 /nfs/dbraw/zinc/77/49/43/1059774943.db2.gz FFVHTRAQSNQFNU-YESZJQIVSA-N 1 1 452.577 2.514 20 5 JFBDMO CC[C@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265836650 1059933568 /nfs/dbraw/zinc/93/35/68/1059933568.db2.gz MPLUPPXBHJXIEV-VQTJNVASSA-N 1 1 450.499 2.585 20 5 JFBDMO CC[C@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265836650 1059933583 /nfs/dbraw/zinc/93/35/83/1059933583.db2.gz MPLUPPXBHJXIEV-VQTJNVASSA-N 1 1 450.499 2.585 20 5 JFBDMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCOC(C)C)C[C@H]2C)CC1 ZINC001286872528 1061278636 /nfs/dbraw/zinc/27/86/36/1061278636.db2.gz VZIUSEXOBPPGLM-AUSIDOKSSA-N 1 1 499.616 2.657 20 5 JFBDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001286889321 1061347445 /nfs/dbraw/zinc/34/74/45/1061347445.db2.gz JMUSKFMNSHNTFR-FQEVSTJZSA-N 1 1 467.574 2.810 20 5 JFBDMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CC1 ZINC001294206037 1061710095 /nfs/dbraw/zinc/71/00/95/1061710095.db2.gz LLPPFSWTYQIQFW-UHFFFAOYSA-N 1 1 499.616 2.660 20 5 JFBDMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001286973428 1061761377 /nfs/dbraw/zinc/76/13/77/1061761377.db2.gz RBKCCEIZJLNRIO-ARFHVFGLSA-N 1 1 464.592 2.594 20 5 JFBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001286973430 1061762145 /nfs/dbraw/zinc/76/21/45/1061762145.db2.gz RBKCCEIZJLNRIO-OAGGEKHMSA-N 1 1 464.592 2.594 20 5 JFBDMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001286973431 1061762258 /nfs/dbraw/zinc/76/22/58/1061762258.db2.gz RBKCCEIZJLNRIO-XHSDSOJGSA-N 1 1 464.592 2.594 20 5 JFBDMO C[C@@H]1C[N@H+](CCCCNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001294417627 1061984008 /nfs/dbraw/zinc/98/40/08/1061984008.db2.gz RMANDHHPSDDVSO-GASCZTMLSA-N 1 1 457.369 2.799 20 5 JFBDMO Cc1[nH+]ccn1CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001290515199 1062314274 /nfs/dbraw/zinc/31/42/74/1062314274.db2.gz VNCLDZHLSZGYKH-JKSUJKDBSA-N 1 1 475.575 2.706 20 5 JFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291010643 1062909633 /nfs/dbraw/zinc/90/96/33/1062909633.db2.gz YHZPPGANCAWJMD-KDURUIRLSA-N 1 1 469.590 2.890 20 5 JFBDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001287736541 1063059621 /nfs/dbraw/zinc/05/96/21/1063059621.db2.gz BBWKOJJDUVRROU-MOPGFXCFSA-N 1 1 469.590 2.888 20 5 JFBDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001287739470 1063062550 /nfs/dbraw/zinc/06/25/50/1063062550.db2.gz RSVSQFJCQXWGBG-MOPGFXCFSA-N 1 1 469.590 2.888 20 5 JFBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291105284 1063086652 /nfs/dbraw/zinc/08/66/52/1063086652.db2.gz HHDDGCXLCOSERN-FGTMMUONSA-N 1 1 455.563 2.641 20 5 JFBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105487 1063087877 /nfs/dbraw/zinc/08/78/77/1063087877.db2.gz JUTBWQYHBHXCPV-ZIFCJYIRSA-N 1 1 455.563 2.675 20 5 JFBDMO 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1 1 455.563 2.642 20 5 JFBDMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001290541872 1062343022 /nfs/dbraw/zinc/34/30/22/1062343022.db2.gz MBQZFGNHUWHEMF-MRXNPFEDSA-N 1 1 468.562 2.561 20 5 JFBDMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001294792126 1062413341 /nfs/dbraw/zinc/41/33/41/1062413341.db2.gz YKUWUWDEKXHNDC-HXUWFJFHSA-N 1 1 499.616 2.707 20 5 JFBDMO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001295056721 1062861621 /nfs/dbraw/zinc/86/16/21/1062861621.db2.gz FLATWJBOWIENTP-QGZVFWFLSA-N 1 1 455.563 2.642 20 5 JFBDMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291102183 1063076271 /nfs/dbraw/zinc/07/62/71/1063076271.db2.gz ISXNRNTXRISTLO-QGZVFWFLSA-N 1 1 455.563 2.642 20 5 JFBDMO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001291105938 1063089677 /nfs/dbraw/zinc/08/96/77/1063089677.db2.gz PSOSKLARPDGTNS-AOIWGVFYSA-N 1 1 455.563 2.894 20 5 JFBDMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)CC2)C1 ZINC001291123632 1063139421 /nfs/dbraw/zinc/13/94/21/1063139421.db2.gz OCXBLQCXLMNXKP-GOSISDBHSA-N 1 1 455.563 2.692 20 5 JFBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(O)CCC2)CC1 ZINC001295330411 1063230214 /nfs/dbraw/zinc/23/02/14/1063230214.db2.gz XMHJYYJRXPDAJX-UHFFFAOYSA-N 1 1 499.616 2.539 20 5 JFBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(O)CCC2)CC1 ZINC001295330411 1063230233 /nfs/dbraw/zinc/23/02/33/1063230233.db2.gz XMHJYYJRXPDAJX-UHFFFAOYSA-N 1 1 499.616 2.539 20 5 JFBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001295980257 1064030084 /nfs/dbraw/zinc/03/00/84/1064030084.db2.gz YJDLVJCTCMAWCK-IRXDYDNUSA-N 1 1 476.603 2.597 20 5 JFBDMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001296133261 1064233093 /nfs/dbraw/zinc/23/30/93/1064233093.db2.gz YLXLJZBKTMNJBT-FQEVSTJZSA-N 1 1 478.601 2.835 20 5 JFBDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(n3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001296191579 1064342539 /nfs/dbraw/zinc/34/25/39/1064342539.db2.gz JSIRGTMDXIHXDV-HXUWFJFHSA-N 1 1 487.653 2.696 20 5 JFBDMO CC[NH+]1CCN(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296194785 1064358258 /nfs/dbraw/zinc/35/82/58/1064358258.db2.gz FXOJMGLIDOZSQQ-BGYRXZFFSA-N 1 1 471.606 2.885 20 5 JFBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])CC2 ZINC001164714532 720157354 /nfs/dbraw/zinc/15/73/54/720157354.db2.gz QIJTZXXBXXXBBH-SFHVURJKSA-N 1 1 455.515 2.679 20 5 JFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CCC2 ZINC001164813869 720236469 /nfs/dbraw/zinc/23/64/69/720236469.db2.gz QQPRHUMALITESL-UHFFFAOYSA-N 1 1 475.859 2.864 20 5 JFBDMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740016 720832303 /nfs/dbraw/zinc/83/23/03/720832303.db2.gz BNPZACZKHFFIMT-RRFJBIMHSA-N 1 1 464.983 2.731 20 5 JFBDMO COc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164757438 720888787 /nfs/dbraw/zinc/88/87/87/720888787.db2.gz URQQEHWODSXNJJ-YADARESESA-N 1 1 484.557 2.552 20 5 JFBDMO COc1ncnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755669 720889977 /nfs/dbraw/zinc/88/99/77/720889977.db2.gz MKVXIJRONZIUFE-WMZHIEFXSA-N 1 1 454.531 2.544 20 5 JFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754260 720938217 /nfs/dbraw/zinc/93/82/17/720938217.db2.gz VOYWKBYTPQUFNF-NBGIEHNGSA-N 1 1 481.553 2.927 20 5 JFBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866572 721053564 /nfs/dbraw/zinc/05/35/64/721053564.db2.gz FQCGVLHIDVYPFY-HZPDHXFCSA-N 1 1 461.906 2.695 20 5 JFBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780241 721358475 /nfs/dbraw/zinc/35/84/75/721358475.db2.gz DPZBDIXXZWBTGW-HSZRJFAPSA-N 1 1 473.530 2.890 20 5 JFBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780241 721358482 /nfs/dbraw/zinc/35/84/82/721358482.db2.gz DPZBDIXXZWBTGW-HSZRJFAPSA-N 1 1 473.530 2.890 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164885588 721398389 /nfs/dbraw/zinc/39/83/89/721398389.db2.gz CQHFPAGNANRRQO-JTSKRJEESA-N 1 1 460.966 2.957 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C3)O2)CC1 ZINC001164889004 721401404 /nfs/dbraw/zinc/40/14/04/721401404.db2.gz QCDYNIBHVDWXKK-LPHOPBHVSA-N 1 1 459.925 2.954 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C3)O2)CC1 ZINC001164888736 721440651 /nfs/dbraw/zinc/44/06/51/721440651.db2.gz APCJSCKLKQSCGN-CYFREDJKSA-N 1 1 452.559 2.817 20 5 JFBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164967698 722076430 /nfs/dbraw/zinc/07/64/30/722076430.db2.gz JLNGRLSWPPDYPO-CALCHBBNSA-N 1 1 469.571 2.761 20 5 JFBDMO COc1cc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164975077 722120131 /nfs/dbraw/zinc/12/01/31/722120131.db2.gz JGLHQHJJOIUNOI-VGOFRKELSA-N 1 1 450.499 2.669 20 5 JFBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc4ccccc4c(Cl)c2[N+](=O)[O-])CC3)CC1 ZINC001164997223 722232559 /nfs/dbraw/zinc/23/25/59/722232559.db2.gz OCWAOSFSQRBJHB-UHFFFAOYSA-N 1 1 453.934 2.943 20 5 JFBDMO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1)C2 ZINC001165006139 722268089 /nfs/dbraw/zinc/26/80/89/722268089.db2.gz HBSQNIVSTKOWRV-LSYMRDCYSA-N 1 1 454.506 2.589 20 5 JFBDMO C[C@@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001264708166 1059654473 /nfs/dbraw/zinc/65/44/73/1059654473.db2.gz MKLLCSAOZYBQIS-MRXNPFEDSA-N 1 1 458.490 2.815 20 5 JFBDMO COc1cc(OCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)ccc1[N+](=O)[O-] ZINC001265246835 1059806146 /nfs/dbraw/zinc/80/61/46/1059806146.db2.gz GPICRQHHFLPSDG-SFHVURJKSA-N 1 1 456.499 2.787 20 5 JFBDMO CN(CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001265868891 1059936973 /nfs/dbraw/zinc/93/69/73/1059936973.db2.gz XGRNWNVEAGWLDB-CVEARBPZSA-N 1 1 455.353 2.553 20 5 JFBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001279867652 1059996558 /nfs/dbraw/zinc/99/65/58/1059996558.db2.gz KVOXMKASCCCNHU-WMZOPIPTSA-N 1 1 458.540 2.660 20 5 JFBDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001279867652 1059996582 /nfs/dbraw/zinc/99/65/82/1059996582.db2.gz KVOXMKASCCCNHU-WMZOPIPTSA-N 1 1 458.540 2.660 20 5 JFBDMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286906230 1061424513 /nfs/dbraw/zinc/42/45/13/1061424513.db2.gz GSMVRJJFNYPLSA-FXAWDEMLSA-N 1 1 455.563 2.690 20 5 JFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)COCCO2)C1 ZINC001294458630 1062005832 /nfs/dbraw/zinc/00/58/32/1062005832.db2.gz QSCIRWWWMWSHFT-JPYJTQIMSA-N 1 1 458.563 2.827 20 5 JFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)COCCO2)C1 ZINC001294458627 1062006187 /nfs/dbraw/zinc/00/61/87/1062006187.db2.gz QSCIRWWWMWSHFT-FDDCHVKYSA-N 1 1 458.563 2.827 20 5 JFBDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294701437 1062267207 /nfs/dbraw/zinc/26/72/07/1062267207.db2.gz ZXQZYRDCWITGKC-QUCCMNQESA-N 1 1 455.563 2.820 20 5 JFBDMO CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001287276739 1062752410 /nfs/dbraw/zinc/75/24/10/1062752410.db2.gz BESKASACHLODTD-FQEVSTJZSA-N 1 1 458.563 2.825 20 5 JFBDMO CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001287276739 1062752432 /nfs/dbraw/zinc/75/24/32/1062752432.db2.gz BESKASACHLODTD-FQEVSTJZSA-N 1 1 458.563 2.825 20 5 JFBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291105286 1063086687 /nfs/dbraw/zinc/08/66/87/1063086687.db2.gz HHDDGCXLCOSERN-KZNAEPCWSA-N 1 1 455.563 2.641 20 5 JFBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291106242 1063091937 /nfs/dbraw/zinc/09/19/37/1063091937.db2.gz UDSGXBPDOPIQMP-PMACEKPBSA-N 1 1 471.606 2.742 20 5 JFBDMO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001295720774 1063735723 /nfs/dbraw/zinc/73/57/23/1063735723.db2.gz BHZLZYDKUYIPRF-HXUWFJFHSA-N 1 1 458.563 2.969 20 5 JFBDMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001291338425 1063808545 /nfs/dbraw/zinc/80/85/45/1063808545.db2.gz TUBLHIGEKWZOEO-HKUYNNGSSA-N 1 1 455.563 2.690 20 5 JFBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@@H]1C)CCC(F)(F)F ZINC001295828180 1063838690 /nfs/dbraw/zinc/83/86/90/1063838690.db2.gz WJPJULGTHORKJJ-HNNXBMFYSA-N 1 1 483.495 2.795 20 5 JFBDMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)C1 ZINC001296037229 1064097637 /nfs/dbraw/zinc/09/76/37/1064097637.db2.gz LSACHSJXWRZYOR-QUCCMNQESA-N 1 1 469.590 2.936 20 5 JFBDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001291772238 1064255522 /nfs/dbraw/zinc/25/55/22/1064255522.db2.gz PKQFJTGCTNRFMJ-SFHVURJKSA-N 1 1 465.562 2.700 20 5 JFBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(OCCOC)CCOCC2)C[C@@H]1C ZINC001296147376 1064258325 /nfs/dbraw/zinc/25/83/25/1064258325.db2.gz OAOCSIYOSXLVBH-IBGZPJMESA-N 1 1 488.589 2.596 20 5 JFBDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293364233 1065968380 /nfs/dbraw/zinc/96/83/80/1065968380.db2.gz MGPSPMPRUXPIAI-ICSRJNTNSA-N 1 1 476.603 2.741 20 5 JFBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CCO1 ZINC001293538586 1066056005 /nfs/dbraw/zinc/05/60/05/1066056005.db2.gz DMUHKRQFCZPFLE-UGKGYDQZSA-N 1 1 471.606 2.742 20 5 JFBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc(Cl)cn2)CC[N@H+]1CCOC ZINC001293540979 1066060838 /nfs/dbraw/zinc/06/08/38/1066060838.db2.gz RWIHAETZLDWABR-IBGZPJMESA-N 1 1 488.980 2.950 20 5 JFBDMO COc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164749128 720868976 /nfs/dbraw/zinc/86/89/76/720868976.db2.gz GZZADNMBQNGSFC-XXBNENTESA-N 1 1 454.531 2.544 20 5 JFBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748056 720873844 /nfs/dbraw/zinc/87/38/44/720873844.db2.gz DOMRYSBVBVZFJS-CJFMBICVSA-N 1 1 481.553 2.927 20 5 JFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758784 720889486 /nfs/dbraw/zinc/88/94/86/720889486.db2.gz ZKSOPTBTRYGMAH-HYBUGGRVSA-N 1 1 468.558 2.852 20 5 JFBDMO CCOC(=O)c1nc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164854557 720927651 /nfs/dbraw/zinc/92/76/51/720927651.db2.gz FXCOUJDGZXQOGJ-GFCCVEGCSA-N 1 1 451.915 2.833 20 5 JFBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866570 721052728 /nfs/dbraw/zinc/05/27/28/721052728.db2.gz FQCGVLHIDVYPFY-CVEARBPZSA-N 1 1 461.906 2.695 20 5 JFBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC2)C1 ZINC001164869850 721270448 /nfs/dbraw/zinc/27/04/48/721270448.db2.gz QAXUQCPFAOMQHX-UHFFFAOYSA-N 1 1 461.950 2.803 20 5 JFBDMO COC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776861 721353356 /nfs/dbraw/zinc/35/33/56/721353356.db2.gz DPGRWSTXDHIBPI-QFIPXVFZSA-N 1 1 459.503 2.500 20 5 JFBDMO COC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776861 721353360 /nfs/dbraw/zinc/35/33/60/721353360.db2.gz DPGRWSTXDHIBPI-QFIPXVFZSA-N 1 1 459.503 2.500 20 5 JFBDMO CCOC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164787100 721372011 /nfs/dbraw/zinc/37/20/11/721372011.db2.gz ZAEAVZCATKRAHG-QHCPKHFHSA-N 1 1 473.530 2.890 20 5 JFBDMO CCOC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164787100 721372016 /nfs/dbraw/zinc/37/20/16/721372016.db2.gz ZAEAVZCATKRAHG-QHCPKHFHSA-N 1 1 473.530 2.890 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886241 721398373 /nfs/dbraw/zinc/39/83/73/721398373.db2.gz DSBNEBNKYFVOOP-AOMKIAJQSA-N 1 1 460.966 2.957 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899077 721444245 /nfs/dbraw/zinc/44/42/45/721444245.db2.gz XVENKFSATYXVQQ-NTKDMRAZSA-N 1 1 470.549 2.956 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164889622 721452652 /nfs/dbraw/zinc/45/26/52/721452652.db2.gz OJYMRGAPFSBUFG-VGSWGCGISA-N 1 1 460.966 2.957 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164889613 721453001 /nfs/dbraw/zinc/45/30/01/721453001.db2.gz OJYMRGAPFSBUFG-HTAPYJJXSA-N 1 1 460.966 2.957 20 5 JFBDMO COC(=O)c1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904819 721692279 /nfs/dbraw/zinc/69/22/79/721692279.db2.gz GRRUSFAGVZPAOW-LJQANCHMSA-N 1 1 482.875 2.958 20 5 JFBDMO COc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164906070 721703594 /nfs/dbraw/zinc/70/35/94/721703594.db2.gz JPOPBGWZRMOQSU-LJQANCHMSA-N 1 1 450.446 2.535 20 5 JFBDMO CN(CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001265868894 1059936884 /nfs/dbraw/zinc/93/68/84/1059936884.db2.gz XGRNWNVEAGWLDB-JKSUJKDBSA-N 1 1 455.353 2.553 20 5 JFBDMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cc[nH+]c2C)C1 ZINC001286845790 1061146563 /nfs/dbraw/zinc/14/65/63/1061146563.db2.gz RUPUWAUUOCLLTF-LJQANCHMSA-N 1 1 466.546 2.753 20 5 JFBDMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cc[nH+]c2C)C1 ZINC001286929187 1061550816 /nfs/dbraw/zinc/55/08/16/1061550816.db2.gz WFMNOKQJPWDTBN-IBGZPJMESA-N 1 1 466.546 2.801 20 5 JFBDMO CC(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001286949389 1061669993 /nfs/dbraw/zinc/66/99/93/1061669993.db2.gz IOKLKVSVMSYWFF-UHFFFAOYSA-N 1 1 469.571 2.763 20 5 JFBDMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C1CCCC1 ZINC001286973404 1061760709 /nfs/dbraw/zinc/76/07/09/1061760709.db2.gz QPXCNSWVLWQWBF-IRXDYDNUSA-N 1 1 478.619 2.986 20 5 JFBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001286973429 1061761627 /nfs/dbraw/zinc/76/16/27/1061761627.db2.gz RBKCCEIZJLNRIO-BZUAXINKSA-N 1 1 464.592 2.594 20 5 JFBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294701438 1062267490 /nfs/dbraw/zinc/26/74/90/1062267490.db2.gz ZXQZYRDCWITGKC-UYAOXDASSA-N 1 1 455.563 2.820 20 5 JFBDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294745671 1062338533 /nfs/dbraw/zinc/33/85/33/1062338533.db2.gz SSBBJXOROLNINA-PMACEKPBSA-N 1 1 476.603 2.741 20 5 JFBDMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001287117151 1062349769 /nfs/dbraw/zinc/34/97/69/1062349769.db2.gz ZJWOCEQIJDGYND-HXUWFJFHSA-N 1 1 499.616 2.705 20 5 JFBDMO Cc1cc(C)n(Cc2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001290605898 1062444074 /nfs/dbraw/zinc/44/40/74/1062444074.db2.gz PULGYGAITKEEFV-UHFFFAOYSA-N 1 1 496.616 2.838 20 5 JFBDMO Cc1cc(C)n(Cc2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001290605898 1062444081 /nfs/dbraw/zinc/44/40/81/1062444081.db2.gz PULGYGAITKEEFV-UHFFFAOYSA-N 1 1 496.616 2.838 20 5 JFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291010505 1062909110 /nfs/dbraw/zinc/90/91/10/1062909110.db2.gz WCWFYYURZHTNEV-KDURUIRLSA-N 1 1 490.630 2.846 20 5 JFBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105485 1063087965 /nfs/dbraw/zinc/08/79/65/1063087965.db2.gz JUTBWQYHBHXCPV-LMMKCTJWSA-N 1 1 455.563 2.675 20 5 JFBDMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001291108198 1063099090 /nfs/dbraw/zinc/09/90/90/1063099090.db2.gz RICIJRDGOHSQQE-GGPKGHCWSA-N 1 1 490.630 2.845 20 5 JFBDMO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291215986 1063431891 /nfs/dbraw/zinc/43/18/91/1063431891.db2.gz ZULWIERYEPPQSP-RXVVDRJESA-N 1 1 499.616 2.800 20 5 JFBDMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001291308480 1063729609 /nfs/dbraw/zinc/72/96/09/1063729609.db2.gz NYERYPHMHSCZHY-SFHVURJKSA-N 1 1 451.531 2.648 20 5 JFBDMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001291308480 1063729621 /nfs/dbraw/zinc/72/96/21/1063729621.db2.gz NYERYPHMHSCZHY-SFHVURJKSA-N 1 1 451.531 2.648 20 5 JFBDMO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001295724691 1063740448 /nfs/dbraw/zinc/74/04/48/1063740448.db2.gz YSBWJDCJENQEGJ-HXUWFJFHSA-N 1 1 458.563 2.969 20 5 JFBDMO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001295724691 1063740458 /nfs/dbraw/zinc/74/04/58/1063740458.db2.gz YSBWJDCJENQEGJ-HXUWFJFHSA-N 1 1 458.563 2.969 20 5 JFBDMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001291338428 1063808672 /nfs/dbraw/zinc/80/86/72/1063808672.db2.gz TUBLHIGEKWZOEO-PKOBYXMFSA-N 1 1 455.563 2.690 20 5 JFBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)C(C)=O)CC1)C1CC1 ZINC001295827779 1063838033 /nfs/dbraw/zinc/83/80/33/1063838033.db2.gz RFMIADLWAALBNA-UHFFFAOYSA-N 1 1 455.563 2.785 20 5 JFBDMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296037235 1064097616 /nfs/dbraw/zinc/09/76/16/1064097616.db2.gz LVSFBRFLQXGORR-QGZVFWFLSA-N 1 1 476.603 2.599 20 5 JFBDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001296059359 1064122245 /nfs/dbraw/zinc/12/22/45/1064122245.db2.gz CWESEUSNBBOYFR-RTWAWAEBSA-N 1 1 458.563 2.968 20 5 JFBDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001296088337 1064157776 /nfs/dbraw/zinc/15/77/76/1064157776.db2.gz KOECQRNEPRGVCE-FXAWDEMLSA-N 1 1 455.563 2.820 20 5 JFBDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296126414 1064219923 /nfs/dbraw/zinc/21/99/23/1064219923.db2.gz PVXWUSAZPQGXDS-KRWDZBQOSA-N 1 1 468.562 2.812 20 5 JFBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(OCCOC)CCOCC2)C[C@H]1C ZINC001296147378 1064258372 /nfs/dbraw/zinc/25/83/72/1064258372.db2.gz OAOCSIYOSXLVBH-LJQANCHMSA-N 1 1 488.589 2.596 20 5 JFBDMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCCOC(F)F)C2)CC1 ZINC001296179863 1064310295 /nfs/dbraw/zinc/31/02/95/1064310295.db2.gz JKQYVCDCSKELRS-LJQANCHMSA-N 1 1 479.532 2.699 20 5 JFBDMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(n3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001296191578 1064342594 /nfs/dbraw/zinc/34/25/94/1064342594.db2.gz JSIRGTMDXIHXDV-FQEVSTJZSA-N 1 1 487.653 2.696 20 5 JFBDMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292116271 1064837682 /nfs/dbraw/zinc/83/76/82/1064837682.db2.gz QTNLUUDJLQNQBL-IBGZPJMESA-N 1 1 498.632 2.916 20 5 JFBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])CC2 ZINC001164718082 720109597 /nfs/dbraw/zinc/10/95/97/720109597.db2.gz ROKXGFATTNZUHE-IBGZPJMESA-N 1 1 455.515 2.679 20 5 JFBDMO CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164838507 720511018 /nfs/dbraw/zinc/51/10/18/720511018.db2.gz RNDFKPLXGLDHCI-OWCLPIDISA-N 1 1 477.953 2.789 20 5 JFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742144 720819609 /nfs/dbraw/zinc/81/96/09/720819609.db2.gz PYWRKGLJWDZFDE-MELADBBJSA-N 1 1 453.334 2.663 20 5 JFBDMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740014 720831960 /nfs/dbraw/zinc/83/19/60/720831960.db2.gz BNPZACZKHFFIMT-QLFBSQMISA-N 1 1 464.983 2.731 20 5 JFBDMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740017 720833042 /nfs/dbraw/zinc/83/30/42/720833042.db2.gz BNPZACZKHFFIMT-SOUVJXGZSA-N 1 1 464.983 2.731 20 5 JFBDMO COC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164753462 720881629 /nfs/dbraw/zinc/88/16/29/720881629.db2.gz PNJODBWBXVNGJU-BWKNWUBXSA-N 1 1 481.553 2.927 20 5 JFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164751440 720935091 /nfs/dbraw/zinc/93/50/91/720935091.db2.gz MLIKSAJUQLGUKD-BWKNWUBXSA-N 1 1 495.584 2.802 20 5 JFBDMO COC(=O)c1nc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776719 721339053 /nfs/dbraw/zinc/33/90/53/721339053.db2.gz CDQRVFNZWYZKLM-OAQYLSRUSA-N 1 1 494.936 2.549 20 5 JFBDMO COC(=O)c1nc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776719 721339056 /nfs/dbraw/zinc/33/90/56/721339056.db2.gz CDQRVFNZWYZKLM-OAQYLSRUSA-N 1 1 494.936 2.549 20 5 JFBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C2)C1 ZINC001164782243 721357264 /nfs/dbraw/zinc/35/72/64/721357264.db2.gz LMZGEXNJOGBJAH-FQEVSTJZSA-N 1 1 451.911 2.605 20 5 JFBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C2)C1 ZINC001164782243 721357268 /nfs/dbraw/zinc/35/72/68/721357268.db2.gz LMZGEXNJOGBJAH-FQEVSTJZSA-N 1 1 451.911 2.605 20 5 JFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889777 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JFBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001294216857 1061725872 /nfs/dbraw/zinc/72/58/72/1061725872.db2.gz JBCXRMWZKSHJLC-DEOSSOPVSA-N 1 1 471.606 2.886 20 5 JFBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294701435 1062267297 /nfs/dbraw/zinc/26/72/97/1062267297.db2.gz ZXQZYRDCWITGKC-AZUAARDMSA-N 1 1 455.563 2.820 20 5 JFBDMO Cc1[nH+]ccn1CCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001290511393 1062311082 /nfs/dbraw/zinc/31/10/82/1062311082.db2.gz SZMYLZHCNWKIQN-UHFFFAOYSA-N 1 1 452.519 2.654 20 5 JFBDMO CC(C)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001287113840 1062334238 /nfs/dbraw/zinc/33/42/38/1062334238.db2.gz OQGRQSPWIJFEBH-GOSISDBHSA-N 1 1 455.563 2.642 20 5 JFBDMO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287216415 1062691632 /nfs/dbraw/zinc/69/16/32/1062691632.db2.gz DOKDQDRHBQDYKC-UHFFFAOYSA-N 1 1 484.649 2.910 20 5 JFBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105486 1063087908 /nfs/dbraw/zinc/08/79/08/1063087908.db2.gz JUTBWQYHBHXCPV-ZHALLVOQSA-N 1 1 455.563 2.675 20 5 JFBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291106084 1063091428 /nfs/dbraw/zinc/09/14/28/1063091428.db2.gz RJFBTAFFBRMXQM-KZNAEPCWSA-N 1 1 455.563 2.641 20 5 JFBDMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001296031091 1064089130 /nfs/dbraw/zinc/08/91/30/1064089130.db2.gz PTKKRFJYFIAYJQ-QGZVFWFLSA-N 1 1 455.563 2.835 20 5 JFBDMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001296037227 1064097239 /nfs/dbraw/zinc/09/72/39/1064097239.db2.gz LSACHSJXWRZYOR-AZUAARDMSA-N 1 1 469.590 2.936 20 5 JFBDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001296059358 1064122251 /nfs/dbraw/zinc/12/22/51/1064122251.db2.gz CWESEUSNBBOYFR-NHCUHLMSSA-N 1 1 458.563 2.968 20 5 JFBDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296184325 1064331709 /nfs/dbraw/zinc/33/17/09/1064331709.db2.gz JQBHYWHMPDLRES-UGKGYDQZSA-N 1 1 471.606 2.742 20 5 JFBDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296184319 1064331733 /nfs/dbraw/zinc/33/17/33/1064331733.db2.gz JQBHYWHMPDLRES-DENIHFKCSA-N 1 1 471.606 2.742 20 5 JFBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2)CCO1 ZINC001291990926 1064607557 /nfs/dbraw/zinc/60/75/57/1064607557.db2.gz OJALMQPWZWOVLG-SFHVURJKSA-N 1 1 454.527 2.582 20 5 JFBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2)CCO1 ZINC001291990926 1064607562 /nfs/dbraw/zinc/60/75/62/1064607562.db2.gz OJALMQPWZWOVLG-SFHVURJKSA-N 1 1 454.527 2.582 20 5 JFBDMO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001293137268 1065787600 /nfs/dbraw/zinc/78/76/00/1065787600.db2.gz MXNWFNJYYUUGFD-UHFFFAOYSA-N 1 1 450.442 2.956 20 5 JFBDMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001293359132 1065963457 /nfs/dbraw/zinc/96/34/57/1065963457.db2.gz LFMOFMSSOGFFCW-SFHVURJKSA-N 1 1 487.609 2.627 20 5 JFBDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001293363114 1065967025 /nfs/dbraw/zinc/96/70/25/1065967025.db2.gz HFQLJLJKUOGRGI-MJGOQNOKSA-N 1 1 455.563 2.785 20 5 JFBDMO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CC[N@H+]1CCOC ZINC001293540904 1066060012 /nfs/dbraw/zinc/06/00/12/1066060012.db2.gz RKIUUYLBRRRHIN-CTNGQTDRSA-N 1 1 458.563 2.969 20 5 JFBDMO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(F)cn2)CC[N@H+]1CCOC ZINC001293542241 1066062242 /nfs/dbraw/zinc/06/22/42/1066062242.db2.gz ZEWFZRBAPVCQPL-HXUWFJFHSA-N 1 1 469.521 2.983 20 5 JFBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164711065 720105001 /nfs/dbraw/zinc/10/50/01/720105001.db2.gz NUOOZZYZLBPKAV-INIZCTEOSA-N 1 1 490.948 2.727 20 5 JFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164812112 720213198 /nfs/dbraw/zinc/21/31/98/720213198.db2.gz KTFPJOVXADTKON-UHFFFAOYSA-N 1 1 453.956 2.567 20 5 JFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CCC2 ZINC001164815602 720241900 /nfs/dbraw/zinc/24/19/00/720241900.db2.gz CURBNKLINCYIMK-UHFFFAOYSA-N 1 1 467.505 2.998 20 5 JFBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752816 720813968 /nfs/dbraw/zinc/81/39/68/720813968.db2.gz ZYYBTQFELOFESL-JFIYKMOQSA-N 1 1 489.964 2.791 20 5 JFBDMO COc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164757435 720888857 /nfs/dbraw/zinc/88/88/57/720888857.db2.gz URQQEHWODSXNJJ-CYFREDJKSA-N 1 1 484.557 2.552 20 5 JFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758783 720889526 /nfs/dbraw/zinc/88/95/26/720889526.db2.gz ZKSOPTBTRYGMAH-GBXCKJPGSA-N 1 1 468.558 2.852 20 5 JFBDMO COC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755700 720894639 /nfs/dbraw/zinc/89/46/39/720894639.db2.gz MTBHDOZDCJLRQG-CPJSRVTESA-N 1 1 481.553 2.927 20 5 JFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164751448 720934582 /nfs/dbraw/zinc/93/45/82/720934582.db2.gz MLIKSAJUQLGUKD-PXDATVDWSA-N 1 1 495.584 2.802 20 5 JFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754258 720938295 /nfs/dbraw/zinc/93/82/95/720938295.db2.gz VOYWKBYTPQUFNF-CJFMBICVSA-N 1 1 481.553 2.927 20 5 JFBDMO COC(=O)c1nc(Cl)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776701 721339574 /nfs/dbraw/zinc/33/95/74/721339574.db2.gz CDQRVFNZWYZKLM-NRFANRHFSA-N 1 1 494.936 2.549 20 5 JFBDMO COC(=O)c1nc(Cl)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776701 721339576 /nfs/dbraw/zinc/33/95/76/721339576.db2.gz CDQRVFNZWYZKLM-NRFANRHFSA-N 1 1 494.936 2.549 20 5 JFBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C2)C1 ZINC001164778223 721352595 /nfs/dbraw/zinc/35/25/95/721352595.db2.gz LLDSJFQBZXMJLD-HXUWFJFHSA-N 1 1 451.911 2.605 20 5 JFBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C2)C1 ZINC001164778223 721352598 /nfs/dbraw/zinc/35/25/98/721352598.db2.gz LLDSJFQBZXMJLD-HXUWFJFHSA-N 1 1 451.911 2.605 20 5 JFBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780242 721358945 /nfs/dbraw/zinc/35/89/45/721358945.db2.gz DPZBDIXXZWBTGW-QHCPKHFHSA-N 1 1 473.530 2.890 20 5 JFBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780242 721358946 /nfs/dbraw/zinc/35/89/46/721358946.db2.gz DPZBDIXXZWBTGW-QHCPKHFHSA-N 1 1 473.530 2.890 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)O2)CC1 ZINC001164894064 721395831 /nfs/dbraw/zinc/39/58/31/721395831.db2.gz XBFYOKNFBAZWHA-HNAYVOBHSA-N 1 1 459.925 2.954 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886245 721398731 /nfs/dbraw/zinc/39/87/31/721398731.db2.gz DSBNEBNKYFVOOP-KSFYIVLOSA-N 1 1 460.966 2.957 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164889618 721452483 /nfs/dbraw/zinc/45/24/83/721452483.db2.gz OJYMRGAPFSBUFG-JTSKRJEESA-N 1 1 460.966 2.957 20 5 JFBDMO CCOC(=O)c1ccnc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1[N+](=O)[O-] ZINC001164786817 721470607 /nfs/dbraw/zinc/47/06/07/721470607.db2.gz CIIDGQGDKZUHCV-IBGZPJMESA-N 1 1 476.574 2.900 20 5 JFBDMO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1[N+](=O)[O-] ZINC001164959987 722061497 /nfs/dbraw/zinc/06/14/97/722061497.db2.gz BOVZBLZTAPNZHB-UHFFFAOYSA-N 1 1 455.515 2.681 20 5 JFBDMO COc1cc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164975075 722119714 /nfs/dbraw/zinc/11/97/14/722119714.db2.gz JGLHQHJJOIUNOI-JTSKRJEESA-N 1 1 450.499 2.669 20 5 JFBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC001265486046 1059871291 /nfs/dbraw/zinc/87/12/91/1059871291.db2.gz XTYDJLNBBVJBCL-INIZCTEOSA-N 1 1 456.455 2.868 20 5 JFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001265557021 1059885380 /nfs/dbraw/zinc/88/53/80/1059885380.db2.gz NIIKZTIDNNDYED-APWZRJJASA-N 1 1 450.495 2.889 20 5 JFBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001279867648 1059996264 /nfs/dbraw/zinc/99/62/64/1059996264.db2.gz KVOXMKASCCCNHU-FUHWJXTLSA-N 1 1 458.540 2.660 20 5 JFBDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001279867648 1059996282 /nfs/dbraw/zinc/99/62/82/1059996282.db2.gz KVOXMKASCCCNHU-FUHWJXTLSA-N 1 1 458.540 2.660 20 5 JFBDMO CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001286864982 1061245102 /nfs/dbraw/zinc/24/51/02/1061245102.db2.gz YTUBTVBJYZOYLG-UHFFFAOYSA-N 1 1 466.546 2.897 20 5 JFBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001289850464 1061523879 /nfs/dbraw/zinc/52/38/79/1061523879.db2.gz MFYJEQYJVDFXGA-PWIZWCRZSA-N 1 1 459.524 2.741 20 5 JFBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1 ZINC001289850461 1061523965 /nfs/dbraw/zinc/52/39/65/1061523965.db2.gz MFYJEQYJVDFXGA-NSISKUIASA-N 1 1 459.524 2.741 20 5 JFBDMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C1CCCC1 ZINC001286973403 1061760539 /nfs/dbraw/zinc/76/05/39/1061760539.db2.gz QPXCNSWVLWQWBF-IAGOWNOFSA-N 1 1 478.619 2.986 20 5 JFBDMO CC(C)N1CC[NH+](CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC001290121270 1061851909 /nfs/dbraw/zinc/85/19/09/1061851909.db2.gz ITGUCGAFFKHFNS-UHFFFAOYSA-N 1 1 457.497 2.678 20 5 JFBDMO CCCCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001294353154 1061919151 /nfs/dbraw/zinc/91/91/51/1061919151.db2.gz CGUBXRIBNGRARO-LJQANCHMSA-N 1 1 499.616 2.707 20 5 JFBDMO CCCCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001294353154 1061919174 /nfs/dbraw/zinc/91/91/74/1061919174.db2.gz CGUBXRIBNGRARO-LJQANCHMSA-N 1 1 499.616 2.707 20 5 JFBDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294700519 1062266068 /nfs/dbraw/zinc/26/60/68/1062266068.db2.gz TYJVVSQMNKJCEF-PXNSSMCTSA-N 1 1 455.563 2.785 20 5 JFBDMO Cc1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC001290964768 1062839651 /nfs/dbraw/zinc/83/96/51/1062839651.db2.gz IYDXUPHRZBFXDY-CALCHBBNSA-N 1 1 455.519 2.743 20 5 JFBDMO Cc1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC001290964768 1062839658 /nfs/dbraw/zinc/83/96/58/1062839658.db2.gz IYDXUPHRZBFXDY-CALCHBBNSA-N 1 1 455.519 2.743 20 5 JFBDMO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001295056717 1062861521 /nfs/dbraw/zinc/86/15/21/1062861521.db2.gz FLATWJBOWIENTP-KRWDZBQOSA-N 1 1 455.563 2.642 20 5 JFBDMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1 ZINC001291096338 1063057868 /nfs/dbraw/zinc/05/78/68/1063057868.db2.gz CHQAMLUHBWZXFP-GOSISDBHSA-N 1 1 455.563 2.834 20 5 JFBDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001287736543 1063060203 /nfs/dbraw/zinc/06/02/03/1063060203.db2.gz BBWKOJJDUVRROU-RBUKOAKNSA-N 1 1 469.590 2.888 20 5 JFBDMO C[C@@H]1CCC[N@@H+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001291125917 1063151296 /nfs/dbraw/zinc/15/12/96/1063151296.db2.gz DEHRCSPHSMTEHK-LJQANCHMSA-N 1 1 469.590 2.833 20 5 JFBDMO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291215987 1063431824 /nfs/dbraw/zinc/43/18/24/1063431824.db2.gz ZULWIERYEPPQSP-WIYYLYMNSA-N 1 1 499.616 2.800 20 5 JFBDMO C[C@@H]1CSCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291310948 1063741474 /nfs/dbraw/zinc/74/14/74/1063741474.db2.gz LOAPRJMQZOLWIW-YLJYHZDGSA-N 1 1 487.630 2.738 20 5 JFBDMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cc[nH+]c2C)C1 ZINC001291337591 1063805127 /nfs/dbraw/zinc/80/51/27/1063805127.db2.gz CLIUMEKXWDOHGT-IBGZPJMESA-N 1 1 466.546 2.944 20 5 JFBDMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001291338426 1063808579 /nfs/dbraw/zinc/80/85/79/1063808579.db2.gz TUBLHIGEKWZOEO-IEBWSBKVSA-N 1 1 455.563 2.690 20 5 JFBDMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001296036246 1064095802 /nfs/dbraw/zinc/09/58/02/1064095802.db2.gz HWZPQQQTBVGUNX-SFHVURJKSA-N 1 1 484.605 2.825 20 5 JFBDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001296059970 1064123991 /nfs/dbraw/zinc/12/39/91/1064123991.db2.gz LTMAAGDQTNHSHG-WMZOPIPTSA-N 1 1 495.506 2.842 20 5 JFBDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001296088341 1064158140 /nfs/dbraw/zinc/15/81/40/1064158140.db2.gz KOECQRNEPRGVCE-XLIONFOSSA-N 1 1 455.563 2.820 20 5 JFBDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001296088339 1064158178 /nfs/dbraw/zinc/15/81/78/1064158178.db2.gz KOECQRNEPRGVCE-PXNSSMCTSA-N 1 1 455.563 2.820 20 5 JFBDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001296088343 1064158199 /nfs/dbraw/zinc/15/81/99/1064158199.db2.gz KOECQRNEPRGVCE-YLJYHZDGSA-N 1 1 455.563 2.820 20 5 JFBDMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001296131819 1064227506 /nfs/dbraw/zinc/22/75/06/1064227506.db2.gz NTNTZKPHZMAICZ-NRFANRHFSA-N 1 1 484.649 2.737 20 5 JFBDMO CC[C@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291797681 1064307656 /nfs/dbraw/zinc/30/76/56/1064307656.db2.gz QUKFOGQLWPQTNY-PXNSSMCTSA-N 1 1 455.563 2.833 20 5 JFBDMO CC[C@@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291797684 1064308090 /nfs/dbraw/zinc/30/80/90/1064308090.db2.gz QUKFOGQLWPQTNY-XLIONFOSSA-N 1 1 455.563 2.833 20 5 JFBDMO CCc1noc(C)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001293192528 1065820702 /nfs/dbraw/zinc/82/07/02/1065820702.db2.gz QXLXDQZTBRDALX-UHFFFAOYSA-N 1 1 455.519 2.529 20 5 JFBDMO CCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001293806564 1066316517 /nfs/dbraw/zinc/31/65/17/1066316517.db2.gz OAVWRWSLPVKYNM-WZONZLPQSA-N 1 1 458.563 2.563 20 5 JFBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cn3cnc([N+](=O)[O-])c3)nc3sc(C)c(C)c31)CC2 ZINC001164690213 719748856 /nfs/dbraw/zinc/74/88/56/719748856.db2.gz VDPSNOPNJNKJEN-UHFFFAOYSA-N 1 1 498.613 2.642 20 5 JFBDMO Cc1nc(CN2CCN(C)C3(CCN(c4cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn4)CC3)C2=O)cs1 ZINC001164820650 720378333 /nfs/dbraw/zinc/37/83/33/720378333.db2.gz QJIQZYDYWKRNET-VMPITWQZSA-N 1 1 485.614 2.600 20 5 JFBDMO Cc1nc(CN2CCN(C)C3(CCN(c4cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn4)CC3)C2=O)cs1 ZINC001164820655 720379767 /nfs/dbraw/zinc/37/97/67/720379767.db2.gz QJIQZYDYWKRNET-YVMONPNESA-N 1 1 485.614 2.600 20 5 JFBDMO CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164838503 720510946 /nfs/dbraw/zinc/51/09/46/720510946.db2.gz RNDFKPLXGLDHCI-BZUAXINKSA-N 1 1 477.953 2.789 20 5 JFBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748057 720874353 /nfs/dbraw/zinc/87/43/53/720874353.db2.gz DOMRYSBVBVZFJS-CPJSRVTESA-N 1 1 481.553 2.927 20 5 JFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754261 720937643 /nfs/dbraw/zinc/93/76/43/720937643.db2.gz VOYWKBYTPQUFNF-NLFFAJNJSA-N 1 1 481.553 2.927 20 5 JFBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880437 721148243 /nfs/dbraw/zinc/14/82/43/721148243.db2.gz WRJDFEFLPMFSQR-STQMWFEESA-N 1 1 458.828 2.932 20 5 JFBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886248 721398533 /nfs/dbraw/zinc/39/85/33/721398533.db2.gz DSBNEBNKYFVOOP-OPAMFIHVSA-N 1 1 460.966 2.957 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C3)O2)CC1 ZINC001164888744 721441071 /nfs/dbraw/zinc/44/10/71/721441071.db2.gz APCJSCKLKQSCGN-YADARESESA-N 1 1 452.559 2.817 20 5 JFBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899056 721444260 /nfs/dbraw/zinc/44/42/60/721444260.db2.gz XVENKFSATYXVQQ-CYFREDJKSA-N 1 1 470.549 2.956 20 5 JFBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788560 721463248 /nfs/dbraw/zinc/46/32/48/721463248.db2.gz UAAAFNKHETYLLI-HXUWFJFHSA-N 1 1 476.574 2.900 20 5 JFBDMO COc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2cc1[N+](=O)[O-] ZINC001164801562 721555648 /nfs/dbraw/zinc/55/56/48/721555648.db2.gz GWTBSKLASOGUBY-CBQOVEMMSA-N 1 1 450.499 2.810 20 5 JFBDMO COc1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2cc1[N+](=O)[O-] ZINC001164801562 721555652 /nfs/dbraw/zinc/55/56/52/721555652.db2.gz GWTBSKLASOGUBY-CBQOVEMMSA-N 1 1 450.499 2.810 20 5 JFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164941779 721932951 /nfs/dbraw/zinc/93/29/51/721932951.db2.gz IYUSCFJFMXFNOD-UHFFFAOYSA-N 1 1 454.531 2.831 20 5 JFBDMO Cc1ccc(-c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nn2)cc1[N+](=O)[O-] ZINC001164997564 722236247 /nfs/dbraw/zinc/23/62/47/722236247.db2.gz QAXXFEXQSMHUDC-UHFFFAOYSA-N 1 1 460.542 2.507 20 5 JFBDMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)cc2)CC1 ZINC001264847209 1059704856 /nfs/dbraw/zinc/70/48/56/1059704856.db2.gz GBFKHWDAAWBPDR-UHFFFAOYSA-N 1 1 454.483 2.786 20 5 JFBDMO CN(C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001265246585 1059804619 /nfs/dbraw/zinc/80/46/19/1059804619.db2.gz AUXGCSKISCKNMN-KRWDZBQOSA-N 1 1 454.483 2.785 20 5 JFBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC001265486047 1059871139 /nfs/dbraw/zinc/87/11/39/1059871139.db2.gz XTYDJLNBBVJBCL-MRXNPFEDSA-N 1 1 456.455 2.868 20 5 JFBDMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCOC(C)C)C[C@H]2C)CC1 ZINC001286872531 1061278578 /nfs/dbraw/zinc/27/85/78/1061278578.db2.gz VZIUSEXOBPPGLM-XXBNENTESA-N 1 1 499.616 2.657 20 5 JFBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001294216858 1061725637 /nfs/dbraw/zinc/72/56/37/1061725637.db2.gz JBCXRMWZKSHJLC-XMMPIXPASA-N 1 1 471.606 2.886 20 5 JFBDMO CC(C)(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001287034083 1061994172 /nfs/dbraw/zinc/99/41/72/1061994172.db2.gz PDYQDXPQKJOHIC-UHFFFAOYSA-N 1 1 454.579 2.758 20 5 JFBDMO CCC[N@@H+](CC)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001294507844 1062045306 /nfs/dbraw/zinc/04/53/06/1062045306.db2.gz VNZPBDBLBZUJAY-UHFFFAOYSA-N 1 1 457.535 2.664 20 5 JFBDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001294651816 1062198086 /nfs/dbraw/zinc/19/80/86/1062198086.db2.gz SYEVNKCBLSGRPY-SFHVURJKSA-N 1 1 452.563 2.998 20 5 JFBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294700523 1062266805 /nfs/dbraw/zinc/26/68/05/1062266805.db2.gz TYJVVSQMNKJCEF-YLJYHZDGSA-N 1 1 455.563 2.785 20 5 JFBDMO Cc1[nH+]ccn1CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001290515197 1062314230 /nfs/dbraw/zinc/31/42/30/1062314230.db2.gz VNCLDZHLSZGYKH-HOTGVXAUSA-N 1 1 475.575 2.706 20 5 JFBDMO Cc1[nH+]ccn1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001290522097 1062323204 /nfs/dbraw/zinc/32/32/04/1062323204.db2.gz VJFSBMIZHOGITB-UHFFFAOYSA-N 1 1 466.546 2.753 20 5 JFBDMO Cc1cc(C)n(Cc2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001290605890 1062444102 /nfs/dbraw/zinc/44/41/02/1062444102.db2.gz PKCGAIRWRACQOB-UHFFFAOYSA-N 1 1 496.616 2.838 20 5 JFBDMO Cc1cc(C)n(Cc2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001290605890 1062444112 /nfs/dbraw/zinc/44/41/12/1062444112.db2.gz PKCGAIRWRACQOB-UHFFFAOYSA-N 1 1 496.616 2.838 20 5 JFBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001290847553 1062733606 /nfs/dbraw/zinc/73/36/06/1062733606.db2.gz QSBPHNODDDEZKX-GQIGUUNPSA-N 1 1 458.563 2.753 20 5 JFBDMO CC[NH+](CC)CCN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC001295183650 1063006508 /nfs/dbraw/zinc/00/65/08/1063006508.db2.gz KTPOPPOPZHVOSD-GOSISDBHSA-N 1 1 455.580 2.652 20 5 JFBDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001287736544 1063060149 /nfs/dbraw/zinc/06/01/49/1063060149.db2.gz BBWKOJJDUVRROU-RTBURBONSA-N 1 1 469.590 2.888 20 5 JFBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291106083 1063091470 /nfs/dbraw/zinc/09/14/70/1063091470.db2.gz RJFBTAFFBRMXQM-KURKYZTESA-N 1 1 455.563 2.641 20 5 JFBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291106085 1063091571 /nfs/dbraw/zinc/09/15/71/1063091571.db2.gz RJFBTAFFBRMXQM-SQNIBIBYSA-N 1 1 455.563 2.641 20 5 JFBDMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)CC2)C1 ZINC001291123633 1063139145 /nfs/dbraw/zinc/13/91/45/1063139145.db2.gz OCXBLQCXLMNXKP-SFHVURJKSA-N 1 1 455.563 2.692 20 5 JFBDMO 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CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001294216954 1061726700 /nfs/dbraw/zinc/72/67/00/1061726700.db2.gz MDCJRHAXIWIVAS-UXHICEINSA-N 1 1 455.563 2.833 20 5 JFBDMO CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001294221863 1061731946 /nfs/dbraw/zinc/73/19/46/1061731946.db2.gz XCEZMMBRVRTZMN-UHFFFAOYSA-N 1 1 465.562 2.702 20 5 JFBDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294307876 1061794829 /nfs/dbraw/zinc/79/48/29/1061794829.db2.gz GLPFIRAMTQRCOP-JOCHJYFZSA-N 1 1 499.616 2.803 20 5 JFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCSC2)C1 ZINC001294456090 1062003216 /nfs/dbraw/zinc/00/32/16/1062003216.db2.gz HNDZYDVSFQMLBO-JTSKRJEESA-N 1 1 460.604 2.889 20 5 JFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCSC2)C1 ZINC001294456089 1062003446 /nfs/dbraw/zinc/00/34/46/1062003446.db2.gz HNDZYDVSFQMLBO-HTAPYJJXSA-N 1 1 460.604 2.889 20 5 JFBDMO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCOCC2)CC1 ZINC001287042768 1062013314 /nfs/dbraw/zinc/01/33/14/1062013314.db2.gz GPLAZXZRCDQBLT-UHFFFAOYSA-N 1 1 471.606 2.886 20 5 JFBDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294745672 1062338356 /nfs/dbraw/zinc/33/83/56/1062338356.db2.gz SSBBJXOROLNINA-VQTJNVASSA-N 1 1 476.603 2.741 20 5 JFBDMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001290541870 1062342599 /nfs/dbraw/zinc/34/25/99/1062342599.db2.gz MBQZFGNHUWHEMF-INIZCTEOSA-N 1 1 468.562 2.561 20 5 JFBDMO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001291105941 1063090284 /nfs/dbraw/zinc/09/02/84/1063090284.db2.gz PSOSKLARPDGTNS-ZIFCJYIRSA-N 1 1 455.563 2.894 20 5 JFBDMO C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001291152872 1063243262 /nfs/dbraw/zinc/24/32/62/1063243262.db2.gz VWIFIVJVYQQUFB-PXNSSMCTSA-N 1 1 455.563 2.642 20 5 JFBDMO C[C@@H]1C[N@@H+](CCCn2c(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295497 1063696328 /nfs/dbraw/zinc/69/63/28/1063696328.db2.gz ZSEMRSJKGHJHOO-LJQANCHMSA-N 1 1 486.621 2.706 20 5 JFBDMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+](CC)C2CC2)C1 ZINC001291337981 1063806664 /nfs/dbraw/zinc/80/66/64/1063806664.db2.gz KJNCNLKJFYYBGS-GOSISDBHSA-N 1 1 455.563 2.833 20 5 JFBDMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001296041147 1064100769 /nfs/dbraw/zinc/10/07/69/1064100769.db2.gz YQXFHRNOKIIRJH-INIZCTEOSA-N 1 1 467.496 2.879 20 5 JFBDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001296059967 1064123483 /nfs/dbraw/zinc/12/34/83/1064123483.db2.gz LTMAAGDQTNHSHG-AEFFLSMTSA-N 1 1 495.506 2.842 20 5 JFBDMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001296076266 1064144455 /nfs/dbraw/zinc/14/44/55/1064144455.db2.gz UTOFJRJXIYJJFF-OAQYLSRUSA-N 1 1 484.605 2.526 20 5 JFBDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001296088330 1064157769 /nfs/dbraw/zinc/15/77/69/1064157769.db2.gz KMJLVDUPPVWVAP-ICSRJNTNSA-N 1 1 455.563 2.690 20 5 JFBDMO CC[C@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291797679 1064307538 /nfs/dbraw/zinc/30/75/38/1064307538.db2.gz QUKFOGQLWPQTNY-FXAWDEMLSA-N 1 1 455.563 2.833 20 5 JFBDMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC001296192360 1064344669 /nfs/dbraw/zinc/34/46/69/1064344669.db2.gz DJOYKYRVIKMKGV-UHFFFAOYSA-N 1 1 473.626 2.765 20 5 JFBDMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292115635 1064833674 /nfs/dbraw/zinc/83/36/74/1064833674.db2.gz KHUIXDIIWDYYQE-IBGZPJMESA-N 1 1 498.632 2.773 20 5 JFBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293364235 1065968537 /nfs/dbraw/zinc/96/85/37/1065968537.db2.gz MGPSPMPRUXPIAI-UYAOXDASSA-N 1 1 476.603 2.741 20 5 JFBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CC[N@H+]1CCOC ZINC001293540906 1066060080 /nfs/dbraw/zinc/06/00/80/1066060080.db2.gz RKIUUYLBRRRHIN-FPOVZHCZSA-N 1 1 458.563 2.969 20 5 JFBDMO CCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001293806562 1066316180 /nfs/dbraw/zinc/31/61/80/1066316180.db2.gz OAVWRWSLPVKYNM-JPYJTQIMSA-N 1 1 458.563 2.563 20 5 JFBDMO