smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)c1 ZINC001164425558 718919018 /nfs/dbraw/zinc/91/90/18/718919018.db2.gz SZJSRDGXICRVSY-IBGZPJMESA-N 1 0 469.876 2.835 20 5 JFBDRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164432124 718969381 /nfs/dbraw/zinc/96/93/81/718969381.db2.gz FYYWWVDNGQCPNY-ZIAGYGMSSA-N 1 0 458.771 2.710 20 5 JFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684125 719682429 /nfs/dbraw/zinc/68/24/29/719682429.db2.gz HDEHGFTVESOEJQ-GOSISDBHSA-N 1 0 495.580 2.870 20 5 JFBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164719060 720123359 /nfs/dbraw/zinc/12/33/59/720123359.db2.gz UZFXUEZEGLSBTA-GOSISDBHSA-N 1 0 455.515 2.679 20 5 JFBDRO Cn1nnc2c1CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])[C@H]2COCC[NH+]1CCCC1 ZINC001164719487 720174186 /nfs/dbraw/zinc/17/41/86/720174186.db2.gz VLMJJUJDQIHIIT-HNNXBMFYSA-N 1 0 456.334 2.641 20 5 JFBDRO Cn1nnc2c1CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718228 720201341 /nfs/dbraw/zinc/20/13/41/720201341.db2.gz YPVQKQGLKFHZDE-NRFANRHFSA-N 1 0 482.520 2.536 20 5 JFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CCC2 ZINC001164813496 720217149 /nfs/dbraw/zinc/21/71/49/720217149.db2.gz MXUGNQDGODOTKA-UHFFFAOYSA-N 1 0 457.922 2.999 20 5 JFBDRO CSc1nc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164812026 720225107 /nfs/dbraw/zinc/22/51/07/720225107.db2.gz COSSSTWXINAITN-UHFFFAOYSA-N 1 0 453.956 2.567 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164833924 720322217 /nfs/dbraw/zinc/32/22/17/720322217.db2.gz XZYSKVHPPZPPIV-KBPBESRZSA-N 1 0 454.984 2.672 20 5 JFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842373 720726874 /nfs/dbraw/zinc/72/68/74/720726874.db2.gz YYOROBFXLZLOPG-IBGZPJMESA-N 1 0 454.531 2.912 20 5 JFBDRO COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164757437 720889161 /nfs/dbraw/zinc/88/91/61/720889161.db2.gz URQQEHWODSXNJJ-NTKDMRAZSA-N 1 0 484.557 2.552 20 5 JFBDRO COc1ncnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755670 720889995 /nfs/dbraw/zinc/88/99/95/720889995.db2.gz MKVXIJRONZIUFE-XXBNENTESA-N 1 0 454.531 2.544 20 5 JFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880436 721146604 /nfs/dbraw/zinc/14/66/04/721146604.db2.gz WRJDFEFLPMFSQR-QWHCGFSZSA-N 1 0 458.828 2.932 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)O2)CC1 ZINC001164894065 721395434 /nfs/dbraw/zinc/39/54/34/721395434.db2.gz XBFYOKNFBAZWHA-KXBFYZLASA-N 1 0 459.925 2.954 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C3)O2)CC1 ZINC001164888738 721440828 /nfs/dbraw/zinc/44/08/28/721440828.db2.gz APCJSCKLKQSCGN-DVECYGJZSA-N 1 0 452.559 2.817 20 5 JFBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164789329 721462478 /nfs/dbraw/zinc/46/24/78/721462478.db2.gz WZGVVKZHOIWHKI-SFHVURJKSA-N 1 0 454.955 2.616 20 5 JFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788559 721462938 /nfs/dbraw/zinc/46/29/38/721462938.db2.gz UAAAFNKHETYLLI-FQEVSTJZSA-N 1 0 476.574 2.900 20 5 JFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164932002 721884785 /nfs/dbraw/zinc/88/47/85/721884785.db2.gz HESVBSQHWCMIGJ-DLBZAZTESA-N 1 0 470.603 2.676 20 5 JFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164932007 721884863 /nfs/dbraw/zinc/88/48/63/721884863.db2.gz HESVBSQHWCMIGJ-IRXDYDNUSA-N 1 0 470.603 2.676 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164982604 722123703 /nfs/dbraw/zinc/12/37/03/722123703.db2.gz XIHATSYPFJCXRV-LSDHHAIUSA-N 1 0 450.952 2.882 20 5 JFBDRO COc1cc(OCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)ccc1[N+](=O)[O-] ZINC001265246834 1059805042 /nfs/dbraw/zinc/80/50/42/1059805042.db2.gz GPICRQHHFLPSDG-GOSISDBHSA-N 1 0 456.499 2.787 20 5 JFBDRO C[C@@H]1C[C@H](N(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001265280183 1059815879 /nfs/dbraw/zinc/81/58/79/1059815879.db2.gz VKXSCJHXTWTFJL-SJLPKXTDSA-N 1 0 450.495 2.702 20 5 JFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001265557022 1059886022 /nfs/dbraw/zinc/88/60/22/1059886022.db2.gz NIIKZTIDNNDYED-LPHOPBHVSA-N 1 0 450.495 2.889 20 5 JFBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286876173 1061293355 /nfs/dbraw/zinc/29/33/55/1061293355.db2.gz ZUWYFEBJVVXLSS-IBGZPJMESA-N 1 0 455.563 2.642 20 5 JFBDRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001286923977 1061528354 /nfs/dbraw/zinc/52/83/54/1061528354.db2.gz CMWXFVSXBZIMIR-FDDCHVKYSA-N 1 0 487.630 2.643 20 5 JFBDRO CC(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286950173 1061678733 /nfs/dbraw/zinc/67/87/33/1061678733.db2.gz VHLAGQPUYVXBLR-UHFFFAOYSA-N 1 0 457.579 2.938 20 5 JFBDRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC(=O)NC2CC2)CC1 ZINC001287043195 1062014423 /nfs/dbraw/zinc/01/44/23/1062014423.db2.gz SMBGZYSFOHOIIR-UHFFFAOYSA-N 1 0 455.563 2.833 20 5 JFBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001290416424 1062137611 /nfs/dbraw/zinc/13/76/11/1062137611.db2.gz VBXJBZKZCLYPGI-UHFFFAOYSA-N 1 0 452.437 2.533 20 5 JFBDRO CCC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001294655193 1062199141 /nfs/dbraw/zinc/19/91/41/1062199141.db2.gz BRDSTBRITFNQBX-NRFANRHFSA-N 1 0 469.590 2.938 20 5 JFBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001294691732 1062251020 /nfs/dbraw/zinc/25/10/20/1062251020.db2.gz AVOASNBJUVCYFA-JOCHJYFZSA-N 1 0 498.632 2.916 20 5 JFBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001294691733 1062251138 /nfs/dbraw/zinc/25/11/38/1062251138.db2.gz AVOASNBJUVCYFA-QFIPXVFZSA-N 1 0 498.632 2.916 20 5 JFBDRO Cc1nccc(N2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001290501773 1062295438 /nfs/dbraw/zinc/29/54/38/1062295438.db2.gz RSOUWYAOFRSJGT-UHFFFAOYSA-N 1 0 479.589 2.866 20 5 JFBDRO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290744005 1062662720 /nfs/dbraw/zinc/66/27/20/1062662720.db2.gz TZBFRTZYDYMUPM-OAQYLSRUSA-N 1 0 455.563 2.606 20 5 JFBDRO Cc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001290797270 1062701783 /nfs/dbraw/zinc/70/17/83/1062701783.db2.gz GBZVCJAKKVRJAM-UHFFFAOYSA-N 1 0 468.562 2.716 20 5 JFBDRO CC(C)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287220733 1062705777 /nfs/dbraw/zinc/70/57/77/1062705777.db2.gz JPEGWTXFSVNGRZ-UHFFFAOYSA-N 1 0 484.649 2.910 20 5 JFBDRO 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 1062734452 /nfs/dbraw/zinc/73/44/52/1062734452.db2.gz QSBPHNODDDEZKX-YRNRMSPPSA-N 1 0 458.563 2.753 20 5 JFBDRO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC001287329008 1062804702 /nfs/dbraw/zinc/80/47/02/1062804702.db2.gz QPABNIBSDPYSTJ-FQEVSTJZSA-N 1 0 481.605 2.890 20 5 JFBDRO CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001287334361 1062811775 /nfs/dbraw/zinc/81/17/75/1062811775.db2.gz RBNGFTDCUORWFV-MJGOQNOKSA-N 1 0 460.583 2.705 20 5 JFBDRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC001287338814 1062816233 /nfs/dbraw/zinc/81/62/33/1062816233.db2.gz OAJGRWATVURRDQ-JOCHJYFZSA-N 1 0 498.632 2.612 20 5 JFBDRO C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)(c2ccccc2)CC1 ZINC001287359871 1062828820 /nfs/dbraw/zinc/82/88/20/1062828820.db2.gz LZOIEEAYDKWIIS-QGZVFWFLSA-N 1 0 454.502 2.867 20 5 JFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291010507 1062909018 /nfs/dbraw/zinc/90/90/18/1062909018.db2.gz WCWFYYURZHTNEV-RTBURBONSA-N 1 0 490.630 2.846 20 5 JFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@@H]3Cc4ccccc4N3C(C)=O)cc([N+](=O)[O-])c2)CC1 ZINC001287671534 1063034167 /nfs/dbraw/zinc/03/41/67/1063034167.db2.gz SVFWLPMTUAUOEA-QHCPKHFHSA-N 1 0 451.527 2.677 20 5 JFBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001287739473 1063062220 /nfs/dbraw/zinc/06/22/20/1063062220.db2.gz RSVSQFJCQXWGBG-RTBURBONSA-N 1 0 469.590 2.888 20 5 JFBDRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141028 1063213082 /nfs/dbraw/zinc/21/30/82/1063213082.db2.gz HYTJNQWVXHXCPD-ROUUACIJSA-N 1 0 493.634 2.553 20 5 JFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291143577 1063222222 /nfs/dbraw/zinc/22/22/22/1063222222.db2.gz YMPIFEMAWQJPRT-YLJYHZDGSA-N 1 0 476.603 2.597 20 5 JFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291143576 1063222279 /nfs/dbraw/zinc/22/22/79/1063222279.db2.gz YMPIFEMAWQJPRT-XLIONFOSSA-N 1 0 476.603 2.597 20 5 JFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291143575 1063222316 /nfs/dbraw/zinc/22/23/16/1063222316.db2.gz YMPIFEMAWQJPRT-PXNSSMCTSA-N 1 0 476.603 2.597 20 5 JFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC1 ZINC001295343987 1063275656 /nfs/dbraw/zinc/27/56/56/1063275656.db2.gz WXHICFPXEMFAAX-AWEZNQCLSA-N 1 0 459.453 2.770 20 5 JFBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291214813 1063419653 /nfs/dbraw/zinc/41/96/53/1063419653.db2.gz DWOGULFJWYTOQR-KRWDZBQOSA-N 1 0 455.563 2.642 20 5 JFBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(O)CC2)C[C@@H](C(F)(F)F)O1 ZINC001291215345 1063424987 /nfs/dbraw/zinc/42/49/87/1063424987.db2.gz NJHROKBSHVWPMT-KXBFYZLASA-N 1 0 498.506 2.856 20 5 JFBDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001295466878 1063472867 /nfs/dbraw/zinc/47/28/67/1063472867.db2.gz YXQAEVASSARLMA-KRWDZBQOSA-N 1 0 476.603 2.599 20 5 JFBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCOCC2)C1 ZINC001295505404 1063541230 /nfs/dbraw/zinc/54/12/30/1063541230.db2.gz DGGBTZZSWIYLGS-GOSISDBHSA-N 1 0 458.563 2.563 20 5 JFBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001295527116 1063564751 /nfs/dbraw/zinc/56/47/51/1063564751.db2.gz CUFUQBMAPFGBHA-UGKGYDQZSA-N 1 0 471.606 2.742 20 5 JFBDRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001295652034 1063696139 /nfs/dbraw/zinc/69/61/39/1063696139.db2.gz XXJLFPSEPXKDCR-UHFFFAOYSA-N 1 0 482.589 2.849 20 5 JFBDRO C[C@H]1CSCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291310945 1063741008 /nfs/dbraw/zinc/74/10/08/1063741008.db2.gz LOAPRJMQZOLWIW-FXAWDEMLSA-N 1 0 487.630 2.738 20 5 JFBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)F)CC1)C(C)C ZINC001295827437 1063837315 /nfs/dbraw/zinc/83/73/15/1063837315.db2.gz NSYYYIHPNHKHLU-UHFFFAOYSA-N 1 0 451.522 2.971 20 5 JFBDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001296059357 1064122279 /nfs/dbraw/zinc/12/22/79/1064122279.db2.gz CWESEUSNBBOYFR-LEWJYISDSA-N 1 0 458.563 2.968 20 5 JFBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001296088328 1064157822 /nfs/dbraw/zinc/15/78/22/1064157822.db2.gz KMJLVDUPPVWVAP-AZUAARDMSA-N 1 0 455.563 2.690 20 5 JFBDRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001296133262 1064233059 /nfs/dbraw/zinc/23/30/59/1064233059.db2.gz YLXLJZBKTMNJBT-HXUWFJFHSA-N 1 0 478.601 2.835 20 5 JFBDRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC001296136446 1064241313 /nfs/dbraw/zinc/24/13/13/1064241313.db2.gz IGMUEWJNMMDQAN-DENIHFKCSA-N 1 0 471.606 2.743 20 5 JFBDRO CC[C@@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001291797686 1064307957 /nfs/dbraw/zinc/30/79/57/1064307957.db2.gz QUKFOGQLWPQTNY-YLJYHZDGSA-N 1 0 455.563 2.833 20 5 JFBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001296184104 1064331207 /nfs/dbraw/zinc/33/12/07/1064331207.db2.gz VPJBPFNRQFOEIE-OAQYLSRUSA-N 1 0 457.552 2.787 20 5 JFBDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296186037 1064334378 /nfs/dbraw/zinc/33/43/78/1064334378.db2.gz SHOYGEINPHIPJS-SLFFLAALSA-N 1 0 471.606 2.741 20 5 JFBDRO CCNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001296229136 1064462623 /nfs/dbraw/zinc/46/26/23/1064462623.db2.gz UZAUXAPMKYXBLQ-GOSISDBHSA-N 1 0 499.616 2.705 20 5 JFBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001291950903 1064562451 /nfs/dbraw/zinc/56/24/51/1064562451.db2.gz AQTAENJLGWEEPH-JXFKEZNVSA-N 1 0 457.579 2.887 20 5 JFBDRO CCNC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001296306820 1064586055 /nfs/dbraw/zinc/58/60/55/1064586055.db2.gz QBPLBLATGWDWDW-UHFFFAOYSA-N 1 0 484.605 2.827 20 5 JFBDRO C[C@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C[NH+]1CCN(C)CC1 ZINC001292958885 1065636210 /nfs/dbraw/zinc/63/62/10/1065636210.db2.gz ODAUZOHXKLDSOK-CYBMUJFWSA-N 1 0 455.346 2.701 20 5 JFBDRO C[C@@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C[NH+]1CCN(C)CC1 ZINC001292958886 1065636283 /nfs/dbraw/zinc/63/62/83/1065636283.db2.gz ODAUZOHXKLDSOK-ZDUSSCGKSA-N 1 0 455.346 2.701 20 5 JFBDRO CCCC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001293765407 1066253832 /nfs/dbraw/zinc/25/38/32/1066253832.db2.gz KVVFXHHOGCVXOT-IBGZPJMESA-N 1 0 499.616 2.707 20 5 JFBDRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001294022830 1066512544 /nfs/dbraw/zinc/51/25/44/1066512544.db2.gz QFFYQKVHXABHOG-LJQANCHMSA-N 1 0 450.536 2.810 20 5 JFBDRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164434162 718969399 /nfs/dbraw/zinc/96/93/99/718969399.db2.gz PFDNYDDSZTUAPL-KGLIPLIRSA-N 1 0 458.771 2.710 20 5 JFBDRO COC(=O)c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-] ZINC001164684605 719671224 /nfs/dbraw/zinc/67/12/24/719671224.db2.gz UXJPJSBPFBBJRT-GOSISDBHSA-N 1 0 495.580 2.870 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)c2ccccc21 ZINC001164680055 719671984 /nfs/dbraw/zinc/67/19/84/719671984.db2.gz BBVGNWOBPPFIBX-KRWDZBQOSA-N 1 0 452.559 2.665 20 5 JFBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])CC2 ZINC001164713462 720155770 /nfs/dbraw/zinc/15/57/70/720155770.db2.gz KWDXUXQAWXFKID-LJQANCHMSA-N 1 0 469.546 2.554 20 5 JFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CCC2 ZINC001164810827 720216612 /nfs/dbraw/zinc/21/66/12/720216612.db2.gz DIOYYZPIYLVNQA-UHFFFAOYSA-N 1 0 456.881 2.995 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826050 720297133 /nfs/dbraw/zinc/29/71/33/720297133.db2.gz VBRYKRJQLFXAKC-IAGOWNOFSA-N 1 0 479.965 2.731 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742743 720814483 /nfs/dbraw/zinc/81/44/83/720814483.db2.gz DLVPPXPQDYIKNI-QLFBSQMISA-N 1 0 464.983 2.731 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892890 721386882 /nfs/dbraw/zinc/38/68/82/721386882.db2.gz UGNWOISQGVOAMS-KSFYIVLOSA-N 1 0 481.981 2.585 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889774 721388046 /nfs/dbraw/zinc/38/80/46/721388046.db2.gz MHQTXGWASSUGNC-AUUYWEPGSA-N 1 0 457.000 2.526 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164885589 721398205 /nfs/dbraw/zinc/39/82/05/721398205.db2.gz CQHFPAGNANRRQO-VGOFRKELSA-N 1 0 460.966 2.957 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C3)O2)CC1 ZINC001164889001 721401088 /nfs/dbraw/zinc/40/10/88/721401088.db2.gz QCDYNIBHVDWXKK-APWZRJJASA-N 1 0 459.925 2.954 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164889620 721452430 /nfs/dbraw/zinc/45/24/30/721452430.db2.gz OJYMRGAPFSBUFG-VGOFRKELSA-N 1 0 460.966 2.957 20 5 JFBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164783865 721461478 /nfs/dbraw/zinc/46/14/78/721461478.db2.gz GEIDOUCDACQAQZ-GOSISDBHSA-N 1 0 462.547 2.510 20 5 JFBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn2)CC3)CC1 ZINC001164795202 721521442 /nfs/dbraw/zinc/52/14/42/721521442.db2.gz LYZHOUSZODIRQA-UHFFFAOYSA-N 1 0 468.949 2.669 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979088 722102811 /nfs/dbraw/zinc/10/28/11/722102811.db2.gz HBRAVORSHKFZCF-AEFFLSMTSA-N 1 0 475.933 2.942 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984321 722103275 /nfs/dbraw/zinc/10/32/75/722103275.db2.gz SLVPEVHLXHTUKU-HUUCEWRRSA-N 1 0 450.952 2.882 20 5 JFBDRO C[C@@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264890948 1059718426 /nfs/dbraw/zinc/71/84/26/1059718426.db2.gz MHKNIRDGFYKGTR-QRQCRPRQSA-N 1 0 455.490 2.856 20 5 JFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC001265127837 1059774768 /nfs/dbraw/zinc/77/47/68/1059774768.db2.gz FFVHTRAQSNQFNU-ULQDDVLXSA-N 1 0 452.577 2.514 20 5 JFBDRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001286845709 1061145513 /nfs/dbraw/zinc/14/55/13/1061145513.db2.gz QZWHMWQSKXPCHE-HXUWFJFHSA-N 1 0 469.590 2.890 20 5 JFBDRO 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 ZINC001286873441 1061286344 /nfs/dbraw/zinc/28/63/44/1061286344.db2.gz GHKJBYQEUWHTDH-GBESFXJTSA-N 1 0 499.616 2.798 20 5 JFBDRO CC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001286916640 1061500341 /nfs/dbraw/zinc/50/03/41/1061500341.db2.gz PFTRWTZZBUTTFH-HXUWFJFHSA-N 1 0 467.530 2.854 20 5 JFBDRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001286923980 1061528989 /nfs/dbraw/zinc/52/89/89/1061528989.db2.gz CMWXFVSXBZIMIR-WZONZLPQSA-N 1 0 487.630 2.643 20 5 JFBDRO CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001294225994 1061738094 /nfs/dbraw/zinc/73/80/94/1061738094.db2.gz LAXUOBCKHSHUNU-LJQANCHMSA-N 1 0 457.579 2.749 20 5 JFBDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C1CCCC1 ZINC001286973405 1061760896 /nfs/dbraw/zinc/76/08/96/1061760896.db2.gz QPXCNSWVLWQWBF-SJORKVTESA-N 1 0 478.619 2.986 20 5 JFBDRO Cc1cccc(OCc2nnc(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001290071550 1061798648 /nfs/dbraw/zinc/79/86/48/1061798648.db2.gz OPNADRJWLKVRHF-LJQANCHMSA-N 1 0 480.573 2.745 20 5 JFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCSC2)C1 ZINC001294456092 1062003470 /nfs/dbraw/zinc/00/34/70/1062003470.db2.gz HNDZYDVSFQMLBO-VGSWGCGISA-N 1 0 460.604 2.889 20 5 JFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001290415462 1062135424 /nfs/dbraw/zinc/13/54/24/1062135424.db2.gz GAYJSNQADVGKKO-UHFFFAOYSA-N 1 0 457.506 2.630 20 5 JFBDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001294648580 1062187986 /nfs/dbraw/zinc/18/79/86/1062187986.db2.gz KGRBVZCRMSTUNY-PMACEKPBSA-N 1 0 469.590 2.938 20 5 JFBDRO CC(C)(C)[S@@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001287084316 1062250010 /nfs/dbraw/zinc/25/00/10/1062250010.db2.gz MAAAYFOLUJNKEI-YTTGMZPUSA-N 1 0 460.604 2.933 20 5 JFBDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+](C)C(C)C)CC1 ZINC001294819768 1062500067 /nfs/dbraw/zinc/50/00/67/1062500067.db2.gz KHHCRRNXNSDBAU-UHFFFAOYSA-N 1 0 457.579 2.936 20 5 JFBDRO Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc([N+](=O)[O-])c4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001290646435 1062537311 /nfs/dbraw/zinc/53/73/11/1062537311.db2.gz PNPCOFOIMHAULX-UHFFFAOYSA-N 1 0 481.605 2.715 20 5 JFBDRO CCCNC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001294842657 1062537803 /nfs/dbraw/zinc/53/78/03/1062537803.db2.gz QUDKJMPCPPZXEJ-HXUWFJFHSA-N 1 0 455.563 2.834 20 5 JFBDRO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001295057780 1062864783 /nfs/dbraw/zinc/86/47/83/1062864783.db2.gz MFINXPWUPQCIMW-KDURUIRLSA-N 1 0 499.616 2.657 20 5 JFBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001295071544 1062892782 /nfs/dbraw/zinc/89/27/82/1062892782.db2.gz FCROTNQZTAITHP-HTAPYJJXSA-N 1 0 454.575 2.554 20 5 JFBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3N)CC2)CC1 ZINC001295249025 1063066927 /nfs/dbraw/zinc/06/69/27/1063066927.db2.gz PTDHIDKUXBVBAS-UHFFFAOYSA-N 1 0 454.369 2.570 20 5 JFBDRO CC(C)NC(=O)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291126077 1063153627 /nfs/dbraw/zinc/15/36/27/1063153627.db2.gz GHZCNSRPVHZMRV-SFHVURJKSA-N 1 0 457.579 2.735 20 5 JFBDRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCC2)CC1 ZINC001295348910 1063292190 /nfs/dbraw/zinc/29/21/90/1063292190.db2.gz RKHXFKNCTPMYGJ-UHFFFAOYSA-N 1 0 470.578 2.533 20 5 JFBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001295372383 1063338882 /nfs/dbraw/zinc/33/88/82/1063338882.db2.gz UBOWHKXTTJOTMT-SFHVURJKSA-N 1 0 465.562 2.700 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001295388073 1063365373 /nfs/dbraw/zinc/36/53/73/1063365373.db2.gz IKDJWHBRLGCJRW-GOSISDBHSA-N 1 0 467.578 2.940 20 5 JFBDRO CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001291215722 1063429485 /nfs/dbraw/zinc/42/94/85/1063429485.db2.gz UULUWFAOGNKSHL-WIYYLYMNSA-N 1 0 458.563 2.825 20 5 JFBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCCO)CC[N@@H+](C2CCC2)C1 ZINC001291217122 1063437703 /nfs/dbraw/zinc/43/77/03/1063437703.db2.gz WHMGIXFYWOPUCA-GOSISDBHSA-N 1 0 458.563 2.563 20 5 JFBDRO C[C@H]1C[N@H+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCc2cnccn2)CCCO1 ZINC001291288966 1063653292 /nfs/dbraw/zinc/65/32/92/1063653292.db2.gz BLJVCNKTHMFSIT-IBGZPJMESA-N 1 0 480.573 2.823 20 5 JFBDRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001295652055 1063696096 /nfs/dbraw/zinc/69/60/96/1063696096.db2.gz YMJKIWJMTSPESC-QFIPXVFZSA-N 1 0 482.589 2.970 20 5 JFBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001295980251 1064029468 /nfs/dbraw/zinc/02/94/68/1064029468.db2.gz YJDLVJCTCMAWCK-DLBZAZTESA-N 1 0 476.603 2.597 20 5 JFBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001295980254 1064030058 /nfs/dbraw/zinc/03/00/58/1064030058.db2.gz YJDLVJCTCMAWCK-IAGOWNOFSA-N 1 0 476.603 2.597 20 5 JFBDRO CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291610870 1064148674 /nfs/dbraw/zinc/14/86/74/1064148674.db2.gz RAHVROYZRMBAEW-UXHICEINSA-N 1 0 486.621 2.922 20 5 JFBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001296088335 1064157827 /nfs/dbraw/zinc/15/78/27/1064157827.db2.gz KMJLVDUPPVWVAP-UYAOXDASSA-N 1 0 455.563 2.690 20 5 JFBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296182906 1064325516 /nfs/dbraw/zinc/32/55/16/1064325516.db2.gz AUQJYTKQFUHEBR-LJQANCHMSA-N 1 0 495.632 2.805 20 5 JFBDRO CCN1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001296205893 1064392536 /nfs/dbraw/zinc/39/25/36/1064392536.db2.gz FIPCTNLBPWBLCP-JOCHJYFZSA-N 1 0 471.606 2.742 20 5 JFBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291954306 1064567481 /nfs/dbraw/zinc/56/74/81/1064567481.db2.gz QFARVLXUBBSGAN-VQTJNVASSA-N 1 0 478.619 2.843 20 5 JFBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001292179174 1064969113 /nfs/dbraw/zinc/96/91/13/1064969113.db2.gz FVAJRSGKVLBRIQ-UHFFFAOYSA-N 1 0 452.511 2.885 20 5 JFBDRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293220083 1065868900 /nfs/dbraw/zinc/86/89/00/1065868900.db2.gz QLRCPCRANBQBKR-PXNSSMCTSA-N 1 0 455.563 2.689 20 5 JFBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001293363110 1065967039 /nfs/dbraw/zinc/96/70/39/1065967039.db2.gz HFQLJLJKUOGRGI-HKUYNNGSSA-N 1 0 455.563 2.785 20 5 JFBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC001293538583 1066056018 /nfs/dbraw/zinc/05/60/18/1066056018.db2.gz DMUHKRQFCZPFLE-DENIHFKCSA-N 1 0 471.606 2.742 20 5 JFBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001293540911 1066060400 /nfs/dbraw/zinc/06/04/00/1066060400.db2.gz RKIUUYLBRRRHIN-TZIWHRDSSA-N 1 0 458.563 2.969 20 5 JFBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc(Cl)cn2)CC[N@@H+]1CCOC ZINC001293540982 1066060715 /nfs/dbraw/zinc/06/07/15/1066060715.db2.gz RWIHAETZLDWABR-LJQANCHMSA-N 1 0 488.980 2.950 20 5 JFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC001294064768 1066534996 /nfs/dbraw/zinc/53/49/96/1066534996.db2.gz PMVAZVXDIWEZQL-UHFFFAOYSA-N 1 0 459.478 2.571 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001164615973 719019633 /nfs/dbraw/zinc/01/96/33/719019633.db2.gz KEOOVYCQHONFPH-ZLIFDBKOSA-N 1 0 467.860 2.980 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164679970 719663038 /nfs/dbraw/zinc/66/30/38/719663038.db2.gz BPVHWMHFCYIHNY-KRWDZBQOSA-N 1 0 482.541 2.991 20 5 JFBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])CC2 ZINC001164718083 720108781 /nfs/dbraw/zinc/10/87/81/720108781.db2.gz ROKXGFATTNZUHE-LJQANCHMSA-N 1 0 455.515 2.679 20 5 JFBDRO Cn1nnc2c1CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])[C@H]2COCC[NH+]1CCCC1 ZINC001164717765 720174069 /nfs/dbraw/zinc/17/40/69/720174069.db2.gz MIOAXVHEIZRMCS-IBGZPJMESA-N 1 0 472.937 2.536 20 5 JFBDRO Cn1nnc2c1CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])[C@@H]2COCC[NH+]1CCCC1 ZINC001164719488 720174271 /nfs/dbraw/zinc/17/42/71/720174271.db2.gz VLMJJUJDQIHIIT-OAHLLOKOSA-N 1 0 456.334 2.641 20 5 JFBDRO Cn1nnc2c1CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]2COCC[NH+]1CCCC1 ZINC001164718215 720180115 /nfs/dbraw/zinc/18/01/15/720180115.db2.gz NPXWQPUXNXLGQD-CQSZACIVSA-N 1 0 456.334 2.641 20 5 JFBDRO 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-] ZINC001164838497 720510932 /nfs/dbraw/zinc/51/09/32/720510932.db2.gz RNDFKPLXGLDHCI-ARFHVFGLSA-N 1 0 477.953 2.789 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752822 720813763 /nfs/dbraw/zinc/81/37/63/720813763.db2.gz ZYYBTQFELOFESL-XYJFISCASA-N 1 0 489.964 2.791 20 5 JFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742139 720819622 /nfs/dbraw/zinc/81/96/22/720819622.db2.gz PYWRKGLJWDZFDE-BFHYXJOUSA-N 1 0 453.334 2.663 20 5 JFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742145 720819727 /nfs/dbraw/zinc/81/97/27/720819727.db2.gz PYWRKGLJWDZFDE-MGPQQGTHSA-N 1 0 453.334 2.663 20 5 JFBDRO COC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755701 720894499 /nfs/dbraw/zinc/89/44/99/720894499.db2.gz MTBHDOZDCJLRQG-NBGIEHNGSA-N 1 0 481.553 2.927 20 5 JFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750785 720897058 /nfs/dbraw/zinc/89/70/58/720897058.db2.gz BTFCZWAIEXVFQK-ZJSXRUAMSA-N 1 0 453.543 2.687 20 5 JFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164751454 720934831 /nfs/dbraw/zinc/93/48/31/720934831.db2.gz MLIKSAJUQLGUKD-SQJMNOBHSA-N 1 0 495.584 2.802 20 5 JFBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)C1 ZINC001164876662 721291699 /nfs/dbraw/zinc/29/16/99/721291699.db2.gz KZGAXIUZKFSPHQ-UHFFFAOYSA-N 1 0 453.543 2.664 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889782 721387741 /nfs/dbraw/zinc/38/77/41/721387741.db2.gz MHQTXGWASSUGNC-LIRRHRJNSA-N 1 0 457.000 2.526 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)O2)CC1 ZINC001164894063 721395854 /nfs/dbraw/zinc/39/58/54/721395854.db2.gz XBFYOKNFBAZWHA-DNVCBOLYSA-N 1 0 459.925 2.954 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C3)O2)CC1 ZINC001164889007 721401251 /nfs/dbraw/zinc/40/12/51/721401251.db2.gz QCDYNIBHVDWXKK-QFBILLFUSA-N 1 0 459.925 2.954 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899080 721444266 /nfs/dbraw/zinc/44/42/66/721444266.db2.gz XVENKFSATYXVQQ-YADARESESA-N 1 0 470.549 2.956 20 5 JFBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)CC2 ZINC001164788568 721451883 /nfs/dbraw/zinc/45/18/83/721451883.db2.gz RLCJVDQNRDEDMJ-LJQANCHMSA-N 1 0 462.547 2.510 20 5 JFBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)CC2 ZINC001164788566 721452003 /nfs/dbraw/zinc/45/20/03/721452003.db2.gz RLCJVDQNRDEDMJ-IBGZPJMESA-N 1 0 462.547 2.510 20 5 JFBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164783871 721461489 /nfs/dbraw/zinc/46/14/89/721461489.db2.gz GEIDOUCDACQAQZ-SFHVURJKSA-N 1 0 462.547 2.510 20 5 JFBDRO COC(=O)c1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904816 721691571 /nfs/dbraw/zinc/69/15/71/721691571.db2.gz GRRUSFAGVZPAOW-IBGZPJMESA-N 1 0 482.875 2.958 20 5 JFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911843 721735544 /nfs/dbraw/zinc/73/55/44/721735544.db2.gz KZNGJDVMTBKHKJ-FQEVSTJZSA-N 1 0 461.473 2.784 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984319 722103285 /nfs/dbraw/zinc/10/32/85/722103285.db2.gz SLVPEVHLXHTUKU-GJZGRUSLSA-N 1 0 450.952 2.882 20 5 JFBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286876175 1061293300 /nfs/dbraw/zinc/29/33/00/1061293300.db2.gz ZUWYFEBJVVXLSS-LJQANCHMSA-N 1 0 455.563 2.642 20 5 JFBDRO 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 1061524036 /nfs/dbraw/zinc/52/40/36/1061524036.db2.gz MFYJEQYJVDFXGA-FFZOFVMBSA-N 1 0 459.524 2.741 20 5 JFBDRO C[C@H]([C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C1CCCC1)S(C)(=O)=O ZINC001286973402 1061760630 /nfs/dbraw/zinc/76/06/30/1061760630.db2.gz QPXCNSWVLWQWBF-DLBZAZTESA-N 1 0 478.619 2.986 20 5 JFBDRO CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCSCC2)CC1 ZINC001286976691 1061785557 /nfs/dbraw/zinc/78/55/57/1061785557.db2.gz JPBLLSLOFLJXNS-UHFFFAOYSA-N 1 0 487.630 2.597 20 5 JFBDRO C[C@H]1C[NH+](CCCCNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001294417628 1061983915 /nfs/dbraw/zinc/98/39/15/1061983915.db2.gz RMANDHHPSDDVSO-GJZGRUSLSA-N 1 0 457.369 2.799 20 5 JFBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)CC1 ZINC001294697927 1062260108 /nfs/dbraw/zinc/26/01/08/1062260108.db2.gz GSMBSCQUDWJPJZ-OAQYLSRUSA-N 1 0 455.563 2.786 20 5 JFBDRO CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001287092742 1062289469 /nfs/dbraw/zinc/28/94/69/1062289469.db2.gz ARRBIKSTJWFXQQ-SFHVURJKSA-N 1 0 455.563 2.677 20 5 JFBDRO CC(C)C(=O)NCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCCCCC1 ZINC001287130660 1062419460 /nfs/dbraw/zinc/41/94/60/1062419460.db2.gz FMZHJEZXYYMDDJ-UHFFFAOYSA-N 1 0 457.579 2.938 20 5 JFBDRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291102182 1063075960 /nfs/dbraw/zinc/07/59/60/1063075960.db2.gz ISXNRNTXRISTLO-KRWDZBQOSA-N 1 0 455.563 2.642 20 5 JFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291106244 1063092888 /nfs/dbraw/zinc/09/28/88/1063092888.db2.gz UDSGXBPDOPIQMP-VQTJNVASSA-N 1 0 471.606 2.742 20 5 JFBDRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001291108200 1063098909 /nfs/dbraw/zinc/09/89/09/1063098909.db2.gz RICIJRDGOHSQQE-QWFCFKBJSA-N 1 0 490.630 2.845 20 5 JFBDRO C[C@@H]1CCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001291136112 1063189776 /nfs/dbraw/zinc/18/97/76/1063189776.db2.gz PZQYDSKLHZXPAB-GOSISDBHSA-N 1 0 455.563 2.586 20 5 JFBDRO CC1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291179725 1063268870 /nfs/dbraw/zinc/26/88/70/1063268870.db2.gz KXRZIFDBBNNTIW-OAQYLSRUSA-N 1 0 490.630 2.989 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001295373615 1063341609 /nfs/dbraw/zinc/34/16/09/1063341609.db2.gz QNCAFJGLTZPRKF-GOSISDBHSA-N 1 0 465.562 2.700 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001295377145 1063346891 /nfs/dbraw/zinc/34/68/91/1063346891.db2.gz SFTIPGAPBSPVFO-QZTJIDSGSA-N 1 0 460.583 2.849 20 5 JFBDRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001295378064 1063347584 /nfs/dbraw/zinc/34/75/84/1063347584.db2.gz XNWAACOLSSQDEX-LAUBAEHRSA-N 1 0 485.589 2.916 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001295388638 1063365926 /nfs/dbraw/zinc/36/59/26/1063365926.db2.gz JOPUCTVVJYBJNR-LJQANCHMSA-N 1 0 479.589 2.624 20 5 JFBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@H]1C)CCC(F)(F)F ZINC001295828182 1063838715 /nfs/dbraw/zinc/83/87/15/1063838715.db2.gz WJPJULGTHORKJJ-OAHLLOKOSA-N 1 0 483.495 2.795 20 5 JFBDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001296037231 1064097582 /nfs/dbraw/zinc/09/75/82/1064097582.db2.gz LSACHSJXWRZYOR-UYAOXDASSA-N 1 0 469.590 2.936 20 5 JFBDRO CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291610869 1064148312 /nfs/dbraw/zinc/14/83/12/1064148312.db2.gz RAHVROYZRMBAEW-PMACEKPBSA-N 1 0 486.621 2.922 20 5 JFBDRO CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291610872 1064148763 /nfs/dbraw/zinc/14/87/63/1064148763.db2.gz RAHVROYZRMBAEW-WOJBJXKFSA-N 1 0 486.621 2.922 20 5 JFBDRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001296183578 1064328946 /nfs/dbraw/zinc/32/89/46/1064328946.db2.gz FSFVRTNGZSPQNF-IBGZPJMESA-N 1 0 471.606 2.816 20 5 JFBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001296184102 1064331047 /nfs/dbraw/zinc/33/10/47/1064331047.db2.gz VPJBPFNRQFOEIE-NRFANRHFSA-N 1 0 457.552 2.787 20 5 JFBDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC001292811323 1065563151 /nfs/dbraw/zinc/56/31/51/1065563151.db2.gz CNSGZRLULXIABY-UHFFFAOYSA-N 1 0 452.511 2.554 20 5 JFBDRO COc1cc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)ccc1OCC[NH+](C)C ZINC001292941941 1065626795 /nfs/dbraw/zinc/62/67/95/1065626795.db2.gz JGTXTZZMVUTLLC-UHFFFAOYSA-N 1 0 457.462 2.799 20 5 JFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001292986528 1065671809 /nfs/dbraw/zinc/67/18/09/1065671809.db2.gz NBSNEEGALAQHOQ-UHFFFAOYSA-N 1 0 454.930 2.771 20 5 JFBDRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293220085 1065869365 /nfs/dbraw/zinc/86/93/65/1065869365.db2.gz QLRCPCRANBQBKR-YLJYHZDGSA-N 1 0 455.563 2.689 20 5 JFBDRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC[NH+](CC)CC1 ZINC001293220150 1065869949 /nfs/dbraw/zinc/86/99/49/1065869949.db2.gz QZDAQSKOCIREQF-FQEVSTJZSA-N 1 0 455.563 2.690 20 5 JFBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001293363116 1065967091 /nfs/dbraw/zinc/96/70/91/1065967091.db2.gz HFQLJLJKUOGRGI-PKOBYXMFSA-N 1 0 455.563 2.785 20 5 JFBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293364234 1065968263 /nfs/dbraw/zinc/96/82/63/1065968263.db2.gz MGPSPMPRUXPIAI-QUCCMNQESA-N 1 0 476.603 2.741 20 5 JFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1OC ZINC001294064974 1066535407 /nfs/dbraw/zinc/53/54/07/1066535407.db2.gz UTRDZJFQOZKGSN-UHFFFAOYSA-N 1 0 458.515 2.881 20 5 JFBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c(Cl)nn2)cc1 ZINC001164414936 718886003 /nfs/dbraw/zinc/88/60/03/718886003.db2.gz ASSLCTGRIVEJPO-UHFFFAOYSA-N 1 0 476.875 2.941 20 5 JFBDRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164432122 718969101 /nfs/dbraw/zinc/96/91/01/718969101.db2.gz FYYWWVDNGQCPNY-KGLIPLIRSA-N 1 0 458.771 2.710 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001164615971 719019601 /nfs/dbraw/zinc/01/96/01/719019601.db2.gz KEOOVYCQHONFPH-OAUYIBNBSA-N 1 0 467.860 2.980 20 5 JFBDRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2 ZINC001164664245 719356505 /nfs/dbraw/zinc/35/65/05/719356505.db2.gz NDQFHGCZVDJJIL-UHFFFAOYSA-N 1 0 474.569 2.766 20 5 JFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680801 719669111 /nfs/dbraw/zinc/66/91/11/719669111.db2.gz HQNVGFBWRTXOGT-GOSISDBHSA-N 1 0 482.585 2.795 20 5 JFBDRO Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164715379 720173627 /nfs/dbraw/zinc/17/36/27/720173627.db2.gz AIVMEYQGBYZDOK-OAQYLSRUSA-N 1 0 451.531 2.796 20 5 JFBDRO CCc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164713820 720199527 /nfs/dbraw/zinc/19/95/27/720199527.db2.gz DZAOBOOCZDWRKU-QFIPXVFZSA-N 1 0 492.584 2.959 20 5 JFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842378 720725938 /nfs/dbraw/zinc/72/59/38/720725938.db2.gz YYOROBFXLZLOPG-LJQANCHMSA-N 1 0 454.531 2.912 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742744 720814420 /nfs/dbraw/zinc/81/44/20/720814420.db2.gz DLVPPXPQDYIKNI-RBSFLKMASA-N 1 0 464.983 2.731 20 5 JFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748060 720874067 /nfs/dbraw/zinc/87/40/67/720874067.db2.gz DOMRYSBVBVZFJS-NBGIEHNGSA-N 1 0 481.553 2.927 20 5 JFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750764 720897452 /nfs/dbraw/zinc/89/74/52/720897452.db2.gz BTFCZWAIEXVFQK-QPPBQGQZSA-N 1 0 453.543 2.687 20 5 JFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754259 720937673 /nfs/dbraw/zinc/93/76/73/720937673.db2.gz VOYWKBYTPQUFNF-CPJSRVTESA-N 1 0 481.553 2.927 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)O2)CC1 ZINC001164893545 721384375 /nfs/dbraw/zinc/38/43/75/721384375.db2.gz VABHXQPPDPQJRP-VQIMIIECSA-N 1 0 459.925 2.954 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)O2)CC1 ZINC001164894062 721395313 /nfs/dbraw/zinc/39/53/13/721395313.db2.gz XBFYOKNFBAZWHA-BEFAXECRSA-N 1 0 459.925 2.954 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164885590 721398174 /nfs/dbraw/zinc/39/81/74/721398174.db2.gz CQHFPAGNANRRQO-VGSWGCGISA-N 1 0 460.966 2.957 20 5 JFBDRO 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 1061286207 /nfs/dbraw/zinc/28/62/07/1061286207.db2.gz GHKJBYQEUWHTDH-QRVBRYPASA-N 1 0 499.616 2.798 20 5 JFBDRO CC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001286916639 1061500406 /nfs/dbraw/zinc/50/04/06/1061500406.db2.gz PFTRWTZZBUTTFH-FQEVSTJZSA-N 1 0 467.530 2.854 20 5 JFBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001294216953 1061726635 /nfs/dbraw/zinc/72/66/35/1061726635.db2.gz MDCJRHAXIWIVAS-PMACEKPBSA-N 1 0 455.563 2.833 20 5 JFBDRO CCCC[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001294217980 1061728819 /nfs/dbraw/zinc/72/88/19/1061728819.db2.gz DJIBJEMSRJRKAA-UHFFFAOYSA-N 1 0 453.551 2.635 20 5 JFBDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286973192 1061758890 /nfs/dbraw/zinc/75/88/90/1061758890.db2.gz NDBBBMQFUPYOPD-XFQAVAEZSA-N 1 0 496.659 2.548 20 5 JFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nncn2CC)C1 ZINC001294457182 1062004535 /nfs/dbraw/zinc/00/45/35/1062004535.db2.gz MAEZVSHNFIJJQL-KRWDZBQOSA-N 1 0 453.551 2.681 20 5 JFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)COCCO2)C1 ZINC001294458632 1062006113 /nfs/dbraw/zinc/00/61/13/1062006113.db2.gz QSCIRWWWMWSHFT-MBSDFSHPSA-N 1 0 458.563 2.827 20 5 JFBDRO CCC[N@H+](CC)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001294514070 1062048848 /nfs/dbraw/zinc/04/88/48/1062048848.db2.gz MONBEQWKCBCZFY-UHFFFAOYSA-N 1 0 467.578 2.645 20 5 JFBDRO CCC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001294655195 1062199202 /nfs/dbraw/zinc/19/92/02/1062199202.db2.gz BRDSTBRITFNQBX-OAQYLSRUSA-N 1 0 469.590 2.938 20 5 JFBDRO CC(C)(C)[S@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001287084315 1062250190 /nfs/dbraw/zinc/25/01/90/1062250190.db2.gz MAAAYFOLUJNKEI-JGCGQSQUSA-N 1 0 460.604 2.933 20 5 JFBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001290467345 1062251419 /nfs/dbraw/zinc/25/14/19/1062251419.db2.gz XXVIKBBTOLHHSV-UHFFFAOYSA-N 1 0 453.495 2.844 20 5 JFBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001294692449 1062252349 /nfs/dbraw/zinc/25/23/49/1062252349.db2.gz JTADSHNMPLNHOO-QFIPXVFZSA-N 1 0 498.632 2.916 20 5 JFBDRO CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001287092740 1062289432 /nfs/dbraw/zinc/28/94/32/1062289432.db2.gz ARRBIKSTJWFXQQ-GOSISDBHSA-N 1 0 455.563 2.677 20 5 JFBDRO O=C(c1cc([N+](=O)[O-])ccc1I)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001294718287 1062289425 /nfs/dbraw/zinc/28/94/25/1062289425.db2.gz GTAKJHSNPKADFB-CQSZACIVSA-N 1 0 459.284 2.526 20 5 JFBDRO O=C(c1cc([N+](=O)[O-])ccc1I)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001294718286 1062289474 /nfs/dbraw/zinc/28/94/74/1062289474.db2.gz GTAKJHSNPKADFB-AWEZNQCLSA-N 1 0 459.284 2.526 20 5 JFBDRO CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCc1cnccn1)[NH+]1CCOCC1 ZINC001287157505 1062548001 /nfs/dbraw/zinc/54/80/01/1062548001.db2.gz NWYLFEMHRHGBKV-JOCHJYFZSA-N 1 0 480.573 2.679 20 5 JFBDRO CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001287159267 1062555704 /nfs/dbraw/zinc/55/57/04/1062555704.db2.gz YHDCTSVXUZTHRT-AZUAARDMSA-N 1 0 455.563 2.675 20 5 JFBDRO CC(C)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287181543 1062606755 /nfs/dbraw/zinc/60/67/55/1062606755.db2.gz NCERIFAXIAWNAN-FQEVSTJZSA-N 1 0 457.579 2.889 20 5 JFBDRO CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001287334355 1062811566 /nfs/dbraw/zinc/81/15/66/1062811566.db2.gz RBNGFTDCUORWFV-HKUYNNGSSA-N 1 0 460.583 2.705 20 5 JFBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001295161377 1062983798 /nfs/dbraw/zinc/98/37/98/1062983798.db2.gz KZXHFPFXQFASSL-RXVVDRJESA-N 1 0 490.630 2.987 20 5 JFBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001287739471 1063062488 /nfs/dbraw/zinc/06/24/88/1063062488.db2.gz RSVSQFJCQXWGBG-OALUTQOASA-N 1 0 469.590 2.888 20 5 JFBDRO CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CC2)[NH+](C)C)[C@@H](C)C1=O ZINC001287750929 1063076044 /nfs/dbraw/zinc/07/60/44/1063076044.db2.gz OWCBQALQQSWIJE-LAUBAEHRSA-N 1 0 469.590 2.887 20 5 JFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105484 1063088132 /nfs/dbraw/zinc/08/81/32/1063088132.db2.gz JUTBWQYHBHXCPV-AOIWGVFYSA-N 1 0 455.563 2.675 20 5 JFBDRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001291108199 1063098789 /nfs/dbraw/zinc/09/87/89/1063098789.db2.gz RICIJRDGOHSQQE-HBFSDRIKSA-N 1 0 490.630 2.845 20 5 JFBDRO C[C@H]1CCC[N@H+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001291125916 1063151237 /nfs/dbraw/zinc/15/12/37/1063151237.db2.gz DEHRCSPHSMTEHK-IBGZPJMESA-N 1 0 469.590 2.833 20 5 JFBDRO CC(C)NC(=O)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001291126076 1063153513 /nfs/dbraw/zinc/15/35/13/1063153513.db2.gz GHZCNSRPVHZMRV-GOSISDBHSA-N 1 0 457.579 2.735 20 5 JFBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291214814 1063419558 /nfs/dbraw/zinc/41/95/58/1063419558.db2.gz DWOGULFJWYTOQR-QGZVFWFLSA-N 1 0 455.563 2.642 20 5 JFBDRO CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001295541464 1063576671 /nfs/dbraw/zinc/57/66/71/1063576671.db2.gz KWFCBKVCOKKWLD-IBGZPJMESA-N 1 0 457.579 2.749 20 5 JFBDRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001296031090 1064088655 /nfs/dbraw/zinc/08/86/55/1064088655.db2.gz PTKKRFJYFIAYJQ-KRWDZBQOSA-N 1 0 455.563 2.835 20 5 JFBDRO CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001291611834 1064149605 /nfs/dbraw/zinc/14/96/05/1064149605.db2.gz YWWGZJOEYUFSTN-UXHICEINSA-N 1 0 471.606 2.995 20 5 JFBDRO CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001291611836 1064149661 /nfs/dbraw/zinc/14/96/61/1064149661.db2.gz YWWGZJOEYUFSTN-VQTJNVASSA-N 1 0 471.606 2.995 20 5 JFBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCNC(=O)C(C)C ZINC001296088305 1064157755 /nfs/dbraw/zinc/15/77/55/1064157755.db2.gz KICVCBULWWSXPB-FQEVSTJZSA-N 1 0 457.579 2.936 20 5 JFBDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001292116519 1064838987 /nfs/dbraw/zinc/83/89/87/1064838987.db2.gz RFJGDPDCNCNVFV-UHFFFAOYSA-N 1 0 496.616 2.693 20 5 JFBDRO O=C1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)CC2(CC[NH2+]CC2)N1 ZINC001164390711 718810023 /nfs/dbraw/zinc/81/00/23/718810023.db2.gz CVODLVQUYOYWJM-UHFFFAOYSA-N 1 0 451.861 2.914 20 5 JFBDRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164432123 718969349 /nfs/dbraw/zinc/96/93/49/718969349.db2.gz FYYWWVDNGQCPNY-UONOGXRCSA-N 1 0 458.771 2.710 20 5 JFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683966 719659448 /nfs/dbraw/zinc/65/94/48/719659448.db2.gz VULVXHQPRCUHOB-GOSISDBHSA-N 1 0 495.580 2.870 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164679973 719662755 /nfs/dbraw/zinc/66/27/55/719662755.db2.gz BPVHWMHFCYIHNY-QGZVFWFLSA-N 1 0 482.541 2.991 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC2)c2ccccc21 ZINC001164682058 719673472 /nfs/dbraw/zinc/67/34/72/719673472.db2.gz OZWRVAWOXNOYCL-KRWDZBQOSA-N 1 0 487.988 2.975 20 5 JFBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164711069 720104189 /nfs/dbraw/zinc/10/41/89/720104189.db2.gz NUOOZZYZLBPKAV-MRXNPFEDSA-N 1 0 490.948 2.727 20 5 JFBDRO Cn1nnc2c1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719903 720173306 /nfs/dbraw/zinc/17/33/06/720173306.db2.gz YIOCVRNHUHMKMO-OAHLLOKOSA-N 1 0 471.896 2.533 20 5 JFBDRO Cn1nnc2c1CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])[C@@H]2COCC[NH+]1CCCC1 ZINC001164717767 720174296 /nfs/dbraw/zinc/17/42/96/720174296.db2.gz MIOAXVHEIZRMCS-LJQANCHMSA-N 1 0 472.937 2.536 20 5 JFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CCC2 ZINC001164814712 720219121 /nfs/dbraw/zinc/21/91/21/720219121.db2.gz WFQUUSLIQJZXEB-UHFFFAOYSA-N 1 0 456.881 2.995 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826054 720296952 /nfs/dbraw/zinc/29/69/52/720296952.db2.gz VBRYKRJQLFXAKC-IRXDYDNUSA-N 1 0 479.965 2.731 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001164829615 720340338 /nfs/dbraw/zinc/34/03/38/720340338.db2.gz STVRXJFEBYCYHA-OLZOCXBDSA-N 1 0 476.887 2.969 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740015 720832171 /nfs/dbraw/zinc/83/21/71/720832171.db2.gz BNPZACZKHFFIMT-RBSFLKMASA-N 1 0 464.983 2.731 20 5 JFBDRO COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164757436 720889013 /nfs/dbraw/zinc/88/90/13/720889013.db2.gz URQQEHWODSXNJJ-DVECYGJZSA-N 1 0 484.557 2.552 20 5 JFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758786 720889965 /nfs/dbraw/zinc/88/99/65/720889965.db2.gz ZKSOPTBTRYGMAH-YKSBVNFPSA-N 1 0 468.558 2.852 20 5 JFBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164754736 720967370 /nfs/dbraw/zinc/96/73/70/720967370.db2.gz WKGGVIJQIQJHHA-UHFFFAOYSA-N 1 0 471.905 2.547 20 5 JFBDRO CCc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164877153 721288450 /nfs/dbraw/zinc/28/84/50/721288450.db2.gz LRIJKRDBNXTVFO-UHFFFAOYSA-N 1 0 482.585 2.621 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)O2)CC1 ZINC001164893542 721384305 /nfs/dbraw/zinc/38/43/05/721384305.db2.gz VABHXQPPDPQJRP-APWZRJJASA-N 1 0 459.925 2.954 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164891161 721416030 /nfs/dbraw/zinc/41/60/30/721416030.db2.gz VKADASGTHUENKA-IFXJQAMLSA-N 1 0 457.000 2.526 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164893091 721435583 /nfs/dbraw/zinc/43/55/83/721435583.db2.gz IZSCUIMWJOJJFW-FZKQIMNGSA-N 1 0 478.903 2.822 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979093 722103110 /nfs/dbraw/zinc/10/31/10/722103110.db2.gz HBRAVORSHKFZCF-SJLPKXTDSA-N 1 0 475.933 2.942 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000022 722251162 /nfs/dbraw/zinc/25/11/62/722251162.db2.gz KMODFBTYPQUSBY-UHFFFAOYSA-N 1 0 466.926 2.505 20 5 JFBDRO C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264891231 1059719772 /nfs/dbraw/zinc/71/97/72/1059719772.db2.gz WSUFFPFCAWPOOS-HNNXBMFYSA-N 1 0 453.478 2.557 20 5 JFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC001265127836 1059774878 /nfs/dbraw/zinc/77/48/78/1059774878.db2.gz FFVHTRAQSNQFNU-IXDOHACOSA-N 1 0 452.577 2.514 20 5 JFBDRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC001265255465 1059808959 /nfs/dbraw/zinc/80/89/59/1059808959.db2.gz QZVQGWFQDWQCIR-UHFFFAOYSA-N 1 0 454.453 2.613 20 5 JFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC001294100997 1061581874 /nfs/dbraw/zinc/58/18/74/1061581874.db2.gz MNTFHODRJARLMX-QZTJIDSGSA-N 1 0 459.591 2.607 20 5 JFBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001294216956 1061726365 /nfs/dbraw/zinc/72/63/65/1061726365.db2.gz MDCJRHAXIWIVAS-WOJBJXKFSA-N 1 0 455.563 2.833 20 5 JFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCSC2)C1 ZINC001294456091 1062003048 /nfs/dbraw/zinc/00/30/48/1062003048.db2.gz HNDZYDVSFQMLBO-VGOFRKELSA-N 1 0 460.604 2.889 20 5 JFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nncn2CC)C1 ZINC001294457185 1062004711 /nfs/dbraw/zinc/00/47/11/1062004711.db2.gz MAEZVSHNFIJJQL-QGZVFWFLSA-N 1 0 453.551 2.681 20 5 JFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)COCCO2)C1 ZINC001294458635 1062006009 /nfs/dbraw/zinc/00/60/09/1062006009.db2.gz QSCIRWWWMWSHFT-WZONZLPQSA-N 1 0 458.563 2.827 20 5 JFBDRO CCC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001294647933 1062185939 /nfs/dbraw/zinc/18/59/39/1062185939.db2.gz HMMGXUVBJRICJN-FQEVSTJZSA-N 1 0 476.603 2.599 20 5 JFBDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001294648582 1062187853 /nfs/dbraw/zinc/18/78/53/1062187853.db2.gz KGRBVZCRMSTUNY-VQTJNVASSA-N 1 0 469.590 2.938 20 5 JFBDRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCC(n3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001294667117 1062221105 /nfs/dbraw/zinc/22/11/05/1062221105.db2.gz RUULOSCYLMXEPM-UHFFFAOYSA-N 1 0 460.583 2.883 20 5 JFBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)CC1 ZINC001294697926 1062259871 /nfs/dbraw/zinc/25/98/71/1062259871.db2.gz GSMBSCQUDWJPJZ-NRFANRHFSA-N 1 0 455.563 2.786 20 5 JFBDRO CCCNC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001294842620 1062537854 /nfs/dbraw/zinc/53/78/54/1062537854.db2.gz PVOPNWKNAOPXHI-FQEVSTJZSA-N 1 0 455.563 2.834 20 5 JFBDRO CC(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCc1cnccn1)[NH+]1CCOCC1 ZINC001287157507 1062548131 /nfs/dbraw/zinc/54/81/31/1062548131.db2.gz NWYLFEMHRHGBKV-QFIPXVFZSA-N 1 0 480.573 2.679 20 5 JFBDRO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290744003 1062662555 /nfs/dbraw/zinc/66/25/55/1062662555.db2.gz TZBFRTZYDYMUPM-NRFANRHFSA-N 1 0 455.563 2.606 20 5 JFBDRO CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001287471885 1062920772 /nfs/dbraw/zinc/92/07/72/1062920772.db2.gz PEWGUBRKNBPUTJ-LJQANCHMSA-N 1 0 456.595 2.838 20 5 JFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106082 1063091365 /nfs/dbraw/zinc/09/13/65/1063091365.db2.gz RJFBTAFFBRMXQM-FGTMMUONSA-N 1 0 455.563 2.641 20 5 JFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106243 1063092320 /nfs/dbraw/zinc/09/23/20/1063092320.db2.gz UDSGXBPDOPIQMP-UXHICEINSA-N 1 0 471.606 2.742 20 5 JFBDRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001291108201 1063098645 /nfs/dbraw/zinc/09/86/45/1063098645.db2.gz RICIJRDGOHSQQE-WSTZPKSXSA-N 1 0 490.630 2.845 20 5 JFBDRO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141472 1063215218 /nfs/dbraw/zinc/21/52/18/1063215218.db2.gz OCGOMFZAVBLLEQ-FQEVSTJZSA-N 1 0 498.632 2.772 20 5 JFBDRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291142837 1063220693 /nfs/dbraw/zinc/22/06/93/1063220693.db2.gz MOTDKPUBCLETCT-SFHVURJKSA-N 1 0 457.579 2.935 20 5 JFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291143574 1063222182 /nfs/dbraw/zinc/22/21/82/1063222182.db2.gz YMPIFEMAWQJPRT-FXAWDEMLSA-N 1 0 476.603 2.597 20 5 JFBDRO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001291152873 1063243180 /nfs/dbraw/zinc/24/31/80/1063243180.db2.gz VWIFIVJVYQQUFB-XLIONFOSSA-N 1 0 455.563 2.642 20 5 JFBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001295373616 1063342006 /nfs/dbraw/zinc/34/20/06/1063342006.db2.gz QNCAFJGLTZPRKF-SFHVURJKSA-N 1 0 465.562 2.700 20 5 JFBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+](C)C2CCCCC2)CC(=O)N1C ZINC001291215690 1063428337 /nfs/dbraw/zinc/42/83/37/1063428337.db2.gz UIFHNZUBRJPBGQ-QGZVFWFLSA-N 1 0 455.563 2.785 20 5 JFBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+](C)C2CCCCC2)CC(=O)N1C ZINC001291215689 1063428445 /nfs/dbraw/zinc/42/84/45/1063428445.db2.gz UIFHNZUBRJPBGQ-KRWDZBQOSA-N 1 0 455.563 2.785 20 5 JFBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001295527572 1063565769 /nfs/dbraw/zinc/56/57/69/1063565769.db2.gz JVMNDTYDEGYOCN-WZONZLPQSA-N 1 0 458.563 2.969 20 5 JFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)C(C)(C)C ZINC001291294902 1063692564 /nfs/dbraw/zinc/69/25/64/1063692564.db2.gz RBRXIGJZKCEJAC-VQIMIIECSA-N 1 0 455.563 2.689 20 5 JFBDRO C[C@H]1CSCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291310946 1063740963 /nfs/dbraw/zinc/74/09/63/1063740963.db2.gz LOAPRJMQZOLWIW-PXNSSMCTSA-N 1 0 487.630 2.738 20 5 JFBDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001296036245 1064095694 /nfs/dbraw/zinc/09/56/94/1064095694.db2.gz HWZPQQQTBVGUNX-GOSISDBHSA-N 1 0 484.605 2.825 20 5 JFBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001296059968 1064124003 /nfs/dbraw/zinc/12/40/03/1064124003.db2.gz LTMAAGDQTNHSHG-FUHWJXTLSA-N 1 0 495.506 2.842 20 5 JFBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001296088333 1064157812 /nfs/dbraw/zinc/15/78/12/1064157812.db2.gz KMJLVDUPPVWVAP-QUCCMNQESA-N 1 0 455.563 2.690 20 5 JFBDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001291772237 1064255541 /nfs/dbraw/zinc/25/55/41/1064255541.db2.gz PKQFJTGCTNRFMJ-GOSISDBHSA-N 1 0 465.562 2.700 20 5 JFBDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296182905 1064325340 /nfs/dbraw/zinc/32/53/40/1064325340.db2.gz AUQJYTKQFUHEBR-IBGZPJMESA-N 1 0 495.632 2.805 20 5 JFBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296184320 1064331644 /nfs/dbraw/zinc/33/16/44/1064331644.db2.gz JQBHYWHMPDLRES-KNQAVFIVSA-N 1 0 471.606 2.742 20 5 JFBDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296184322 1064331716 /nfs/dbraw/zinc/33/17/16/1064331716.db2.gz JQBHYWHMPDLRES-SIKLNZKXSA-N 1 0 471.606 2.742 20 5 JFBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+](C)C ZINC001291950906 1064562403 /nfs/dbraw/zinc/56/24/03/1064562403.db2.gz AQTAENJLGWEEPH-UZLBHIALSA-N 1 0 457.579 2.887 20 5 JFBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291954302 1064567007 /nfs/dbraw/zinc/56/70/07/1064567007.db2.gz QFARVLXUBBSGAN-UXHICEINSA-N 1 0 478.619 2.843 20 5 JFBDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC001292004043 1064624259 /nfs/dbraw/zinc/62/42/59/1064624259.db2.gz GXMVHEVTJQVINS-INIZCTEOSA-N 1 0 450.492 3.000 20 5 JFBDRO CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001292186572 1064978228 /nfs/dbraw/zinc/97/82/28/1064978228.db2.gz SCYUAOKBIYSEEG-FUHWJXTLSA-N 1 0 464.592 2.597 20 5 JFBDRO CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001292186564 1064978396 /nfs/dbraw/zinc/97/83/96/1064978396.db2.gz SCPHMGCIJGLUOY-ZIFCJYIRSA-N 1 0 478.619 2.986 20 5 JFBDRO CN(CC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001293155246 1065795267 /nfs/dbraw/zinc/79/52/67/1065795267.db2.gz XWJVHOUXKUJOEU-UHFFFAOYSA-N 1 0 450.337 2.779 20 5 JFBDRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293220082 1065868622 /nfs/dbraw/zinc/86/86/22/1065868622.db2.gz QLRCPCRANBQBKR-FXAWDEMLSA-N 1 0 455.563 2.689 20 5 JFBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001293279754 1065931459 /nfs/dbraw/zinc/93/14/59/1065931459.db2.gz CAMCLZNXHYVLDQ-GOSISDBHSA-N 1 0 456.568 2.882 20 5 JFBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293364232 1065968453 /nfs/dbraw/zinc/96/84/53/1065968453.db2.gz MGPSPMPRUXPIAI-AZUAARDMSA-N 1 0 476.603 2.741 20 5 JFBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001293540909 1066060278 /nfs/dbraw/zinc/06/02/78/1066060278.db2.gz RKIUUYLBRRRHIN-PZJWPPBQSA-N 1 0 458.563 2.969 20 5 JFBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H](C)O1 ZINC001293540962 1066060522 /nfs/dbraw/zinc/06/05/22/1066060522.db2.gz RTDCLIHGNSORRI-YLJYHZDGSA-N 1 0 458.563 2.968 20 5 JFBDRO CCCC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001293765408 1066253742 /nfs/dbraw/zinc/25/37/42/1066253742.db2.gz KVVFXHHOGCVXOT-LJQANCHMSA-N 1 0 499.616 2.707 20 5 JFBDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001294022827 1066512620 /nfs/dbraw/zinc/51/26/20/1066512620.db2.gz QFFYQKVHXABHOG-IBGZPJMESA-N 1 0 450.536 2.810 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001164614040 719019609 /nfs/dbraw/zinc/01/96/09/719019609.db2.gz BNMQDXJBJIDTJO-ZLIFDBKOSA-N 1 0 467.860 2.980 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001164614036 719019735 /nfs/dbraw/zinc/01/97/35/719019735.db2.gz BNMQDXJBJIDTJO-AFAVFJNCSA-N 1 0 467.860 2.980 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)c2ccccc21 ZINC001164680056 719672144 /nfs/dbraw/zinc/67/21/44/719672144.db2.gz BBVGNWOBPPFIBX-QGZVFWFLSA-N 1 0 452.559 2.665 20 5 JFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684131 719682774 /nfs/dbraw/zinc/68/27/74/719682774.db2.gz HDEHGFTVESOEJQ-SFHVURJKSA-N 1 0 495.580 2.870 20 5 JFBDRO CCc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164713817 720199841 /nfs/dbraw/zinc/19/98/41/720199841.db2.gz DZAOBOOCZDWRKU-JOCHJYFZSA-N 1 0 492.584 2.959 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823878 720297776 /nfs/dbraw/zinc/29/77/76/720297776.db2.gz QOXQEERITZWSPP-KBPBESRZSA-N 1 0 454.984 2.672 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823882 720297854 /nfs/dbraw/zinc/29/78/54/720297854.db2.gz QOXQEERITZWSPP-UONOGXRCSA-N 1 0 454.984 2.672 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823884 720298462 /nfs/dbraw/zinc/29/84/62/720298462.db2.gz QOXQEERITZWSPP-ZIAGYGMSSA-N 1 0 454.984 2.672 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164833927 720322373 /nfs/dbraw/zinc/32/23/73/720322373.db2.gz XZYSKVHPPZPPIV-KGLIPLIRSA-N 1 0 454.984 2.672 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001164822741 720337210 /nfs/dbraw/zinc/33/72/10/720337210.db2.gz DYQBRSUNDDXBED-VXKWHMMOSA-N 1 0 450.543 2.963 20 5 JFBDRO 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 720511217 /nfs/dbraw/zinc/51/12/17/720511217.db2.gz RNDFKPLXGLDHCI-HRCADAONSA-N 1 0 477.953 2.789 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742745 720814698 /nfs/dbraw/zinc/81/46/98/720814698.db2.gz DLVPPXPQDYIKNI-RRFJBIMHSA-N 1 0 464.983 2.731 20 5 JFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742141 720819924 /nfs/dbraw/zinc/81/99/24/720819924.db2.gz PYWRKGLJWDZFDE-HZSPNIEDSA-N 1 0 453.334 2.663 20 5 JFBDRO COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164749127 720868871 /nfs/dbraw/zinc/86/88/71/720868871.db2.gz GZZADNMBQNGSFC-WMZHIEFXSA-N 1 0 454.531 2.544 20 5 JFBDRO COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164749126 720869180 /nfs/dbraw/zinc/86/91/80/720869180.db2.gz GZZADNMBQNGSFC-CVDCTZTESA-N 1 0 454.531 2.544 20 5 JFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758785 720889854 /nfs/dbraw/zinc/88/98/54/720889854.db2.gz ZKSOPTBTRYGMAH-RDPSFJRHSA-N 1 0 468.558 2.852 20 5 JFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750775 720897111 /nfs/dbraw/zinc/89/71/11/720897111.db2.gz BTFCZWAIEXVFQK-URXFXBBRSA-N 1 0 453.543 2.687 20 5 JFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750781 720897299 /nfs/dbraw/zinc/89/72/99/720897299.db2.gz BTFCZWAIEXVFQK-XUZZJYLKSA-N 1 0 453.543 2.687 20 5 JFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164751445 720934639 /nfs/dbraw/zinc/93/46/39/720934639.db2.gz MLIKSAJUQLGUKD-OFVILXPXSA-N 1 0 495.584 2.802 20 5 JFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880435 721146014 /nfs/dbraw/zinc/14/60/14/721146014.db2.gz WRJDFEFLPMFSQR-OLZOCXBDSA-N 1 0 458.828 2.932 20 5 JFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880434 721147566 /nfs/dbraw/zinc/14/75/66/721147566.db2.gz WRJDFEFLPMFSQR-CHWSQXEVSA-N 1 0 458.828 2.932 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892889 721386824 /nfs/dbraw/zinc/38/68/24/721386824.db2.gz UGNWOISQGVOAMS-AOMKIAJQSA-N 1 0 481.981 2.585 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886252 721398433 /nfs/dbraw/zinc/39/84/33/721398433.db2.gz DSBNEBNKYFVOOP-ZHRRBRCNSA-N 1 0 460.966 2.957 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164891162 721416329 /nfs/dbraw/zinc/41/63/29/721416329.db2.gz VKADASGTHUENKA-KUHUBIRLSA-N 1 0 457.000 2.526 20 5 JFBDRO CCOC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164896921 721513499 /nfs/dbraw/zinc/51/34/99/721513499.db2.gz CKQLNHIITVKWDC-HIFRSBDPSA-N 1 0 465.869 2.696 20 5 JFBDRO CCOC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164896920 721513832 /nfs/dbraw/zinc/51/38/32/721513832.db2.gz CKQLNHIITVKWDC-DZGCQCFKSA-N 1 0 465.869 2.696 20 5 JFBDRO COc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164906066 721704357 /nfs/dbraw/zinc/70/43/57/721704357.db2.gz JPOPBGWZRMOQSU-IBGZPJMESA-N 1 0 450.446 2.535 20 5 JFBDRO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1[N+](=O)[O-] ZINC001164959713 722052117 /nfs/dbraw/zinc/05/21/17/722052117.db2.gz NKOWUIDKBARAEI-UHFFFAOYSA-N 1 0 490.948 2.729 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979096 722102879 /nfs/dbraw/zinc/10/28/79/722102879.db2.gz HBRAVORSHKFZCF-WMZOPIPTSA-N 1 0 475.933 2.942 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164982599 722123834 /nfs/dbraw/zinc/12/38/34/722123834.db2.gz XIHATSYPFJCXRV-CABCVRRESA-N 1 0 450.952 2.882 20 5 JFBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CCC2 ZINC001165004984 722257304 /nfs/dbraw/zinc/25/73/04/722257304.db2.gz YXEJWZVPLBWTGV-UHFFFAOYSA-N 1 0 455.494 2.876 20 5 JFBDRO C[C@@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264890945 1059718353 /nfs/dbraw/zinc/71/83/53/1059718353.db2.gz MHKNIRDGFYKGTR-IVZQSRNASA-N 1 0 455.490 2.856 20 5 JFBDRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286906233 1061424453 /nfs/dbraw/zinc/42/44/53/1061424453.db2.gz GSMVRJJFNYPLSA-YLJYHZDGSA-N 1 0 455.563 2.690 20 5 JFBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001294216955 1061726765 /nfs/dbraw/zinc/72/67/65/1061726765.db2.gz MDCJRHAXIWIVAS-VQTJNVASSA-N 1 0 455.563 2.833 20 5 JFBDRO CC(C)(C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286985058 1061850602 /nfs/dbraw/zinc/85/06/02/1061850602.db2.gz QUKHGXQQNVVYFB-IBGZPJMESA-N 1 0 499.616 2.564 20 5 JFBDRO CC(C)(C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286985347 1061853647 /nfs/dbraw/zinc/85/36/47/1061853647.db2.gz YXSJZMHAXCXOPY-UHFFFAOYSA-N 1 0 499.616 2.564 20 5 JFBDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001287039459 1062005861 /nfs/dbraw/zinc/00/58/61/1062005861.db2.gz GNTMEHKHCNZZAP-LEWJYISDSA-N 1 0 472.590 2.951 20 5 JFBDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001294648583 1062187924 /nfs/dbraw/zinc/18/79/24/1062187924.db2.gz KGRBVZCRMSTUNY-WOJBJXKFSA-N 1 0 469.590 2.938 20 5 JFBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001294692448 1062252444 /nfs/dbraw/zinc/25/24/44/1062252444.db2.gz JTADSHNMPLNHOO-JOCHJYFZSA-N 1 0 498.632 2.916 20 5 JFBDRO CCCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CC=CCC2)CC1=O ZINC001294721632 1062298520 /nfs/dbraw/zinc/29/85/20/1062298520.db2.gz PULRVACRXGUING-UHFFFAOYSA-N 1 0 453.547 2.564 20 5 JFBDRO CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001287160551 1062560657 /nfs/dbraw/zinc/56/06/57/1062560657.db2.gz SGBSZHCVHZKMBJ-FPOVZHCZSA-N 1 0 490.630 2.845 20 5 JFBDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)cc2)CC1 ZINC001290921069 1062796443 /nfs/dbraw/zinc/79/64/43/1062796443.db2.gz TULJGSCQZNMIJO-UHFFFAOYSA-N 1 0 452.490 2.597 20 5 JFBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001295071545 1062893704 /nfs/dbraw/zinc/89/37/04/1062893704.db2.gz FCROTNQZTAITHP-JTSKRJEESA-N 1 0 454.575 2.554 20 5 JFBDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)CC2)CC1 ZINC001287631277 1063011781 /nfs/dbraw/zinc/01/17/81/1063011781.db2.gz YXRWEPCHNJDKJM-UHFFFAOYSA-N 1 0 469.590 2.938 20 5 JFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3ccc4nnc(C(F)F)n4c3)cc([N+](=O)[O-])c2)CC1 ZINC001287675100 1063035720 /nfs/dbraw/zinc/03/57/20/1063035720.db2.gz WGNSYRVPBKUHSR-UHFFFAOYSA-N 1 0 459.457 2.994 20 5 JFBDRO 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 1063086419 /nfs/dbraw/zinc/08/64/19/1063086419.db2.gz HHDDGCXLCOSERN-SQNIBIBYSA-N 1 0 455.563 2.641 20 5 JFBDRO 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 1063086860 /nfs/dbraw/zinc/08/68/60/1063086860.db2.gz HHDDGCXLCOSERN-KURKYZTESA-N 1 0 455.563 2.641 20 5 JFBDRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001291105939 1063089474 /nfs/dbraw/zinc/08/94/74/1063089474.db2.gz PSOSKLARPDGTNS-LMMKCTJWSA-N 1 0 455.563 2.894 20 5 JFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106245 1063092714 /nfs/dbraw/zinc/09/27/14/1063092714.db2.gz UDSGXBPDOPIQMP-WOJBJXKFSA-N 1 0 471.606 2.742 20 5 JFBDRO C[C@H]1CCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001291135921 1063189811 /nfs/dbraw/zinc/18/98/11/1063189811.db2.gz MPDQOEVTXWCWET-SFHVURJKSA-N 1 0 478.557 2.997 20 5 JFBDRO C[C@@H]1CCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001291135920 1063189856 /nfs/dbraw/zinc/18/98/56/1063189856.db2.gz MPDQOEVTXWCWET-GOSISDBHSA-N 1 0 478.557 2.997 20 5 JFBDRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001291141026 1063212992 /nfs/dbraw/zinc/21/29/92/1063212992.db2.gz HYTJNQWVXHXCPD-MSOLQXFVSA-N 1 0 493.634 2.553 20 5 JFBDRO C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001291152871 1063243106 /nfs/dbraw/zinc/24/31/06/1063243106.db2.gz VWIFIVJVYQQUFB-FXAWDEMLSA-N 1 0 455.563 2.642 20 5 JFBDRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([NH+](C)C)CCCCC1 ZINC001291189430 1063309882 /nfs/dbraw/zinc/30/98/82/1063309882.db2.gz BAAYHMQLMIAOKA-QGZVFWFLSA-N 1 0 455.563 2.785 20 5 JFBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(O)CC2)C[C@@H](C(F)(F)F)O1 ZINC001291215342 1063425022 /nfs/dbraw/zinc/42/50/22/1063425022.db2.gz NJHROKBSHVWPMT-BEFAXECRSA-N 1 0 498.506 2.856 20 5 JFBDRO 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 1063431953 /nfs/dbraw/zinc/43/19/53/1063431953.db2.gz ZULWIERYEPPQSP-GHTZIAJQSA-N 1 0 499.616 2.800 20 5 JFBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001295527114 1063564805 /nfs/dbraw/zinc/56/48/05/1063564805.db2.gz CUFUQBMAPFGBHA-KNQAVFIVSA-N 1 0 471.606 2.742 20 5 JFBDRO CC(C)c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287418 1063638884 /nfs/dbraw/zinc/63/88/84/1063638884.db2.gz BEGHFKWQCHBNLX-HDICACEKSA-N 1 0 460.583 2.847 20 5 JFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)C(C)(C)C ZINC001291294899 1063692546 /nfs/dbraw/zinc/69/25/46/1063692546.db2.gz RBRXIGJZKCEJAC-APWZRJJASA-N 1 0 455.563 2.689 20 5 JFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001307199258 1063763302 /nfs/dbraw/zinc/76/33/02/1063763302.db2.gz IFKLJPLILJQIHZ-GOSISDBHSA-N 1 0 452.577 2.507 20 5 JFBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001295980262 1064029989 /nfs/dbraw/zinc/02/99/89/1064029989.db2.gz YJDLVJCTCMAWCK-SJORKVTESA-N 1 0 476.603 2.597 20 5 JFBDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)C1 ZINC001296037228 1064097595 /nfs/dbraw/zinc/09/75/95/1064097595.db2.gz LSACHSJXWRZYOR-ICSRJNTNSA-N 1 0 469.590 2.936 20 5 JFBDRO CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001291611833 1064149623 /nfs/dbraw/zinc/14/96/23/1064149623.db2.gz YWWGZJOEYUFSTN-PMACEKPBSA-N 1 0 471.606 2.995 20 5 JFBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCNC(=O)C(C)C ZINC001296088306 1064157744 /nfs/dbraw/zinc/15/77/44/1064157744.db2.gz KICVCBULWWSXPB-HXUWFJFHSA-N 1 0 457.579 2.936 20 5 JFBDRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC001296136447 1064241936 /nfs/dbraw/zinc/24/19/36/1064241936.db2.gz IGMUEWJNMMDQAN-SIKLNZKXSA-N 1 0 471.606 2.743 20 5 JFBDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001291763800 1064244765 /nfs/dbraw/zinc/24/47/65/1064244765.db2.gz XKNRBPDRWBJWKY-LJQANCHMSA-N 1 0 484.605 2.921 20 5 JFBDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001291781407 1064268379 /nfs/dbraw/zinc/26/83/79/1064268379.db2.gz FQRCEXNJTNGHEV-IBGZPJMESA-N 1 0 479.589 2.624 20 5 JFBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291954299 1064567036 /nfs/dbraw/zinc/56/70/36/1064567036.db2.gz QFARVLXUBBSGAN-PMACEKPBSA-N 1 0 478.619 2.843 20 5 JFBDRO CCNC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001296306481 1064585382 /nfs/dbraw/zinc/58/53/82/1064585382.db2.gz JSSLUJHRURCHIC-LJQANCHMSA-N 1 0 484.605 2.827 20 5 JFBDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001292116272 1064837619 /nfs/dbraw/zinc/83/76/19/1064837619.db2.gz QTNLUUDJLQNQBL-LJQANCHMSA-N 1 0 498.632 2.916 20 5 JFBDRO CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCCC1 ZINC001292187943 1064981085 /nfs/dbraw/zinc/98/10/85/1064981085.db2.gz ZBRNOFBDKOBMTE-IBGZPJMESA-N 1 0 455.563 2.786 20 5 JFBDRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC001292591772 1065310115 /nfs/dbraw/zinc/31/01/15/1065310115.db2.gz XMUHQSDBMMFCJV-UHFFFAOYSA-N 1 0 452.511 2.936 20 5 JFBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001293279755 1065931513 /nfs/dbraw/zinc/93/15/13/1065931513.db2.gz CAMCLZNXHYVLDQ-SFHVURJKSA-N 1 0 456.568 2.882 20 5 JFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001293839661 1066343683 /nfs/dbraw/zinc/34/36/83/1066343683.db2.gz ZQXHKCMEVBFKLX-IBGZPJMESA-N 1 0 454.527 2.704 20 5 JFBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c(Cl)nn2)c1 ZINC001164416326 718885931 /nfs/dbraw/zinc/88/59/31/718885931.db2.gz VBHPDQXBWNFBKK-UHFFFAOYSA-N 1 0 476.875 2.941 20 5 JFBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c(Cl)nn1 ZINC001164423537 718919238 /nfs/dbraw/zinc/91/92/38/718919238.db2.gz IJPFXUNZQHKHGD-IBGZPJMESA-N 1 0 469.876 2.835 20 5 JFBDRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164432389 718968453 /nfs/dbraw/zinc/96/84/53/718968453.db2.gz HCVHJJOCDRVPPJ-KGLIPLIRSA-N 1 0 458.771 2.710 20 5 JFBDRO COC(=O)c1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC001164681418 719663380 /nfs/dbraw/zinc/66/33/80/719663380.db2.gz OFLVMQFACFXIAE-GOSISDBHSA-N 1 0 495.580 2.870 20 5 JFBDRO COC(=O)c1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC001164681419 719663933 /nfs/dbraw/zinc/66/39/33/719663933.db2.gz OFLVMQFACFXIAE-SFHVURJKSA-N 1 0 495.580 2.870 20 5 JFBDRO COC(=O)c1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-] ZINC001164684611 719671320 /nfs/dbraw/zinc/67/13/20/719671320.db2.gz UXJPJSBPFBBJRT-SFHVURJKSA-N 1 0 495.580 2.870 20 5 JFBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)CC2 ZINC001164712959 720099015 /nfs/dbraw/zinc/09/90/15/720099015.db2.gz ZCYUXGQGSFGJNM-IBGZPJMESA-N 1 0 455.515 2.679 20 5 JFBDRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715056 720167407 /nfs/dbraw/zinc/16/74/07/720167407.db2.gz SHHHEMGLXVXODW-MRXNPFEDSA-N 1 0 471.896 2.533 20 5 JFBDRO Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164715378 720173314 /nfs/dbraw/zinc/17/33/14/720173314.db2.gz AIVMEYQGBYZDOK-NRFANRHFSA-N 1 0 451.531 2.796 20 5 JFBDRO Cn1nnc2c1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719902 720173626 /nfs/dbraw/zinc/17/36/26/720173626.db2.gz YIOCVRNHUHMKMO-HNNXBMFYSA-N 1 0 471.896 2.533 20 5 JFBDRO Cn1nnc2c1CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716508 720173929 /nfs/dbraw/zinc/17/39/29/720173929.db2.gz GDISGSUYAKUPGS-GOSISDBHSA-N 1 0 472.937 2.536 20 5 JFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1C ZINC001164734242 720529762 /nfs/dbraw/zinc/52/97/62/720529762.db2.gz OXPXWUBCCZERMR-MRXNPFEDSA-N 1 0 481.586 2.856 20 5 JFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164752070 720793621 /nfs/dbraw/zinc/79/36/21/720793621.db2.gz YMZGPJGHJUCGPG-HZPDHXFCSA-N 1 0 453.890 2.837 20 5 JFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)ccc1Cl ZINC001164752072 720795736 /nfs/dbraw/zinc/79/57/36/720795736.db2.gz YMZGPJGHJUCGPG-JKSUJKDBSA-N 1 0 453.890 2.837 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752818 720814056 /nfs/dbraw/zinc/81/40/56/720814056.db2.gz ZYYBTQFELOFESL-LZLYRXPVSA-N 1 0 489.964 2.791 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164893093 721435840 /nfs/dbraw/zinc/43/58/40/721435840.db2.gz IZSCUIMWJOJJFW-SCLBCKFNSA-N 1 0 478.903 2.822 20 5 JFBDRO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264891232 1059719603 /nfs/dbraw/zinc/71/96/03/1059719603.db2.gz WSUFFPFCAWPOOS-OAHLLOKOSA-N 1 0 453.478 2.557 20 5 JFBDRO CN(C)c1cc(F)c(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1[N+](=O)[O-] ZINC001264894568 1059719644 /nfs/dbraw/zinc/71/96/44/1059719644.db2.gz NSQZGNMUJBQJFW-UHFFFAOYSA-N 1 0 457.506 2.792 20 5 JFBDRO CN(C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001265246586 1059805206 /nfs/dbraw/zinc/80/52/06/1059805206.db2.gz AUXGCSKISCKNMN-QGZVFWFLSA-N 1 0 454.483 2.785 20 5 JFBDRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286906232 1061424437 /nfs/dbraw/zinc/42/44/37/1061424437.db2.gz GSMVRJJFNYPLSA-XLIONFOSSA-N 1 0 455.563 2.690 20 5 JFBDRO 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 1061523926 /nfs/dbraw/zinc/52/39/26/1061523926.db2.gz MFYJEQYJVDFXGA-LSTHTHJFSA-N 1 0 459.524 2.741 20 5 JFBDRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001286923978 1061528464 /nfs/dbraw/zinc/52/84/64/1061528464.db2.gz CMWXFVSXBZIMIR-JPYJTQIMSA-N 1 0 487.630 2.643 20 5 JFBDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294307877 1061795190 /nfs/dbraw/zinc/79/51/90/1061795190.db2.gz GLPFIRAMTQRCOP-QFIPXVFZSA-N 1 0 499.616 2.803 20 5 JFBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294700521 1062266713 /nfs/dbraw/zinc/26/67/13/1062266713.db2.gz TYJVVSQMNKJCEF-XLIONFOSSA-N 1 0 455.563 2.785 20 5 JFBDRO CC(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001287159269 1062555683 /nfs/dbraw/zinc/55/56/83/1062555683.db2.gz YHDCTSVXUZTHRT-ICSRJNTNSA-N 1 0 455.563 2.675 20 5 JFBDRO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290742531 1062662674 /nfs/dbraw/zinc/66/26/74/1062662674.db2.gz BMAOPWGPDQQFOL-OAQYLSRUSA-N 1 0 457.579 2.852 20 5 JFBDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)cc2)CC1 ZINC001290920172 1062795191 /nfs/dbraw/zinc/79/51/91/1062795191.db2.gz DZRZBYARBPPCCV-UHFFFAOYSA-N 1 0 454.527 2.824 20 5 JFBDRO C[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)(c2ccccc2)CC1 ZINC001287359870 1062828437 /nfs/dbraw/zinc/82/84/37/1062828437.db2.gz LZOIEEAYDKWIIS-KRWDZBQOSA-N 1 0 454.502 2.867 20 5 JFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3ccccc3N3CCOCC3)cc([N+](=O)[O-])c2)CC1 ZINC001287671136 1063034379 /nfs/dbraw/zinc/03/43/79/1063034379.db2.gz QMEJJIIPNHVKHC-UHFFFAOYSA-N 1 0 453.543 2.850 20 5 JFBDRO C[C@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1 ZINC001291096339 1063057459 /nfs/dbraw/zinc/05/74/59/1063057459.db2.gz CHQAMLUHBWZXFP-SFHVURJKSA-N 1 0 455.563 2.834 20 5 JFBDRO CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCOCC2)[C@H](C)C1=O ZINC001287750920 1063076140 /nfs/dbraw/zinc/07/61/40/1063076140.db2.gz OUSMGGNSSGNEKI-LJQANCHMSA-N 1 0 499.616 2.657 20 5 JFBDRO CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CC2)[NH+](C)C)[C@@H](C)C1=O ZINC001287750937 1063076688 /nfs/dbraw/zinc/07/66/88/1063076688.db2.gz OWCBQALQQSWIJE-UWJYYQICSA-N 1 0 469.590 2.887 20 5 JFBDRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001291105940 1063090182 /nfs/dbraw/zinc/09/01/82/1063090182.db2.gz PSOSKLARPDGTNS-ZHALLVOQSA-N 1 0 455.563 2.894 20 5 JFBDRO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001291152874 1063243283 /nfs/dbraw/zinc/24/32/83/1063243283.db2.gz VWIFIVJVYQQUFB-YLJYHZDGSA-N 1 0 455.563 2.642 20 5 JFBDRO CC1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291179724 1063268931 /nfs/dbraw/zinc/26/89/31/1063268931.db2.gz KXRZIFDBBNNTIW-NRFANRHFSA-N 1 0 490.630 2.989 20 5 JFBDRO CC1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001291180109 1063270888 /nfs/dbraw/zinc/27/08/88/1063270888.db2.gz UOBVFFKKAGXVEW-UHFFFAOYSA-N 1 0 476.603 2.600 20 5 JFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC1 ZINC001295343988 1063275727 /nfs/dbraw/zinc/27/57/27/1063275727.db2.gz WXHICFPXEMFAAX-CQSZACIVSA-N 1 0 459.453 2.770 20 5 JFBDRO CC1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001291183727 1063280900 /nfs/dbraw/zinc/28/09/00/1063280900.db2.gz BYVDQQMJYAMZRK-UHFFFAOYSA-N 1 0 455.563 2.677 20 5 JFBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291186204 1063289580 /nfs/dbraw/zinc/28/95/80/1063289580.db2.gz BLANVBYXWWYMAS-RTBURBONSA-N 1 0 486.621 2.919 20 5 JFBDRO 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 1063431904 /nfs/dbraw/zinc/43/19/04/1063431904.db2.gz ZULWIERYEPPQSP-NQIIRXRSSA-N 1 0 499.616 2.800 20 5 JFBDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001295466879 1063472831 /nfs/dbraw/zinc/47/28/31/1063472831.db2.gz YXQAEVASSARLMA-QGZVFWFLSA-N 1 0 476.603 2.599 20 5 JFBDRO Nc1c(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC001295515581 1063549490 /nfs/dbraw/zinc/54/94/90/1063549490.db2.gz YDCNUULTBJVDNL-UHFFFAOYSA-N 1 0 455.353 2.904 20 5 JFBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001295527113 1063564829 /nfs/dbraw/zinc/56/48/29/1063564829.db2.gz CUFUQBMAPFGBHA-DENIHFKCSA-N 1 0 471.606 2.742 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnccn2)CC1 ZINC001295554137 1063587976 /nfs/dbraw/zinc/58/79/76/1063587976.db2.gz RGKPVRPFTSZWTL-GOSISDBHSA-N 1 0 465.562 2.700 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001295569977 1063605004 /nfs/dbraw/zinc/60/50/04/1063605004.db2.gz ZDWOGQNFQXDGDW-LJQANCHMSA-N 1 0 479.589 2.624 20 5 JFBDRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+](CC)C2CC2)C1 ZINC001291337982 1063806623 /nfs/dbraw/zinc/80/66/23/1063806623.db2.gz KJNCNLKJFYYBGS-SFHVURJKSA-N 1 0 455.563 2.833 20 5 JFBDRO CC[C@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001291508704 1064060008 /nfs/dbraw/zinc/06/00/08/1064060008.db2.gz PZSWTDLUHCUPFM-SFHVURJKSA-N 1 0 460.583 2.850 20 5 JFBDRO CC[NH+]1CCC(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296021475 1064082400 /nfs/dbraw/zinc/08/24/00/1064082400.db2.gz HUKLNWSYYSBSMN-IBGZPJMESA-N 1 0 455.563 2.677 20 5 JFBDRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001296131820 1064227405 /nfs/dbraw/zinc/22/74/05/1064227405.db2.gz NTNTZKPHZMAICZ-OAQYLSRUSA-N 1 0 484.649 2.737 20 5 JFBDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291762505 1064243264 /nfs/dbraw/zinc/24/32/64/1064243264.db2.gz TXOBLUNYJJCDKH-INIZCTEOSA-N 1 0 464.592 2.597 20 5 JFBDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001291763799 1064244655 /nfs/dbraw/zinc/24/46/55/1064244655.db2.gz XKNRBPDRWBJWKY-IBGZPJMESA-N 1 0 484.605 2.921 20 5 JFBDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001291781408 1064268877 /nfs/dbraw/zinc/26/88/77/1064268877.db2.gz FQRCEXNJTNGHEV-LJQANCHMSA-N 1 0 479.589 2.624 20 5 JFBDRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCCOC(F)F)C2)CC1 ZINC001296179861 1064309934 /nfs/dbraw/zinc/30/99/34/1064309934.db2.gz JKQYVCDCSKELRS-IBGZPJMESA-N 1 0 479.532 2.699 20 5 JFBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001296183579 1064328847 /nfs/dbraw/zinc/32/88/47/1064328847.db2.gz FSFVRTNGZSPQNF-LJQANCHMSA-N 1 0 471.606 2.816 20 5 JFBDRO CCN1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001296205894 1064392559 /nfs/dbraw/zinc/39/25/59/1064392559.db2.gz FIPCTNLBPWBLCP-QFIPXVFZSA-N 1 0 471.606 2.742 20 5 JFBDRO CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001292186570 1064978278 /nfs/dbraw/zinc/97/82/78/1064978278.db2.gz SCYUAOKBIYSEEG-AEFFLSMTSA-N 1 0 464.592 2.597 20 5 JFBDRO C[NH+]1CCN(C(C)(C)CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 ZINC001292955907 1065634533 /nfs/dbraw/zinc/63/45/33/1065634533.db2.gz MGVSLJPDRNAUEU-UHFFFAOYSA-N 1 0 455.346 2.843 20 5 JFBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(F)cn2)CC[N@@H+]1CCOC ZINC001293542240 1066062263 /nfs/dbraw/zinc/06/22/63/1066062263.db2.gz ZEWFZRBAPVCQPL-FQEVSTJZSA-N 1 0 469.521 2.983 20 5 JFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1 ZINC001293688544 1066174430 /nfs/dbraw/zinc/17/44/30/1066174430.db2.gz FGWKPMBGKRAIDD-UHFFFAOYSA-N 1 0 456.543 2.961 20 5 JFBDRO Cc1cc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc1OCC[NH+]1CCCC1 ZINC001293728125 1066186249 /nfs/dbraw/zinc/18/62/49/1066186249.db2.gz XZBSZOVBWIRBDQ-UHFFFAOYSA-N 1 0 452.467 2.613 20 5 JFBDRO COc1cc2c3cnc4cc5c(cc4c3n(CCN(C)CC[NH+](C)C)c(=O)c2cc1OC)OCO5 ZINC000029044685 563092259 /nfs/dbraw/zinc/09/22/59/563092259.db2.gz XJYYWQPJMRZABC-UHFFFAOYSA-N 1 0 478.549 2.942 20 5 JFBDRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164432120 718969138 /nfs/dbraw/zinc/96/91/38/718969138.db2.gz FYYWWVDNGQCPNY-KBPBESRZSA-N 1 0 458.771 2.710 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)c2ccccc21 ZINC001164681038 719672096 /nfs/dbraw/zinc/67/20/96/719672096.db2.gz IWOJLARIDMLEIQ-KRWDZBQOSA-N 1 0 452.559 2.665 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC2)c2ccccc21 ZINC001164682065 719673357 /nfs/dbraw/zinc/67/33/57/719673357.db2.gz OZWRVAWOXNOYCL-QGZVFWFLSA-N 1 0 487.988 2.975 20 5 JFBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])CC2 ZINC001164714530 720158071 /nfs/dbraw/zinc/15/80/71/720158071.db2.gz QIJTZXXBXXXBBH-GOSISDBHSA-N 1 0 455.515 2.679 20 5 JFBDRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715053 720168239 /nfs/dbraw/zinc/16/82/39/720168239.db2.gz SHHHEMGLXVXODW-INIZCTEOSA-N 1 0 471.896 2.533 20 5 JFBDRO Cc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)cc1[N+](=O)[O-] ZINC001164713942 720191825 /nfs/dbraw/zinc/19/18/25/720191825.db2.gz FIWNEODGKRWTEH-JOCHJYFZSA-N 1 0 478.557 2.705 20 5 JFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC001164810932 720210337 /nfs/dbraw/zinc/21/03/37/720210337.db2.gz FPPXMXNPTSRRDB-UHFFFAOYSA-N 1 0 456.881 2.995 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164833931 720322550 /nfs/dbraw/zinc/32/25/50/720322550.db2.gz XZYSKVHPPZPPIV-ZIAGYGMSSA-N 1 0 454.984 2.672 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001164830533 720344673 /nfs/dbraw/zinc/34/46/73/720344673.db2.gz VWUVJTUSHHOVSL-FGZHOGPDSA-N 1 0 450.543 2.963 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001164830526 720344910 /nfs/dbraw/zinc/34/49/10/720344910.db2.gz VWUVJTUSHHOVSL-FCHUYYIVSA-N 1 0 450.543 2.963 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742747 720814319 /nfs/dbraw/zinc/81/43/19/720814319.db2.gz DLVPPXPQDYIKNI-SOUVJXGZSA-N 1 0 464.983 2.731 20 5 JFBDRO COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164749125 720868420 /nfs/dbraw/zinc/86/84/20/720868420.db2.gz GZZADNMBQNGSFC-AUSIDOKSSA-N 1 0 454.531 2.544 20 5 JFBDRO COC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755699 720894718 /nfs/dbraw/zinc/89/47/18/720894718.db2.gz MTBHDOZDCJLRQG-CJFMBICVSA-N 1 0 481.553 2.927 20 5 JFBDRO CCOC(=O)c1nc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164854559 720928751 /nfs/dbraw/zinc/92/87/51/720928751.db2.gz FXCOUJDGZXQOGJ-LBPRGKRZSA-N 1 0 451.915 2.833 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889779 721388174 /nfs/dbraw/zinc/38/81/74/721388174.db2.gz MHQTXGWASSUGNC-KUHUBIRLSA-N 1 0 457.000 2.526 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164891158 721416655 /nfs/dbraw/zinc/41/66/55/721416655.db2.gz VKADASGTHUENKA-AUUYWEPGSA-N 1 0 457.000 2.526 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C3)O2)CC1 ZINC001164888741 721441546 /nfs/dbraw/zinc/44/15/46/721441546.db2.gz APCJSCKLKQSCGN-NTKDMRAZSA-N 1 0 452.559 2.817 20 5 JFBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])CC2 ZINC001164786480 721473783 /nfs/dbraw/zinc/47/37/83/721473783.db2.gz BLPKNXAUJVRJRH-GOSISDBHSA-N 1 0 462.547 2.510 20 5 JFBDRO CCOC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164896922 721513290 /nfs/dbraw/zinc/51/32/90/721513290.db2.gz CKQLNHIITVKWDC-UKRRQHHQSA-N 1 0 465.869 2.696 20 5 JFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164932009 721885003 /nfs/dbraw/zinc/88/50/03/721885003.db2.gz HESVBSQHWCMIGJ-SJORKVTESA-N 1 0 470.603 2.676 20 5 JFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC001265127838 1059774926 /nfs/dbraw/zinc/77/49/26/1059774926.db2.gz FFVHTRAQSNQFNU-YESZJQIVSA-N 1 0 452.577 2.514 20 5 JFBDRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001286845707 1061145521 /nfs/dbraw/zinc/14/55/21/1061145521.db2.gz QZWHMWQSKXPCHE-FQEVSTJZSA-N 1 0 469.590 2.890 20 5 JFBDRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCOC(C)C)C[C@H]2C)CC1 ZINC001286872528 1061278618 /nfs/dbraw/zinc/27/86/18/1061278618.db2.gz VZIUSEXOBPPGLM-AUSIDOKSSA-N 1 0 499.616 2.657 20 5 JFBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC001286873440 1061286065 /nfs/dbraw/zinc/28/60/65/1061286065.db2.gz GHKJBYQEUWHTDH-FHWLQOOXSA-N 1 0 499.616 2.798 20 5 JFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC001294100998 1061581809 /nfs/dbraw/zinc/58/18/09/1061581809.db2.gz MNTFHODRJARLMX-ROUUACIJSA-N 1 0 459.591 2.607 20 5 JFBDRO Cc1cccc(-c2nnc(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001289980373 1061701378 /nfs/dbraw/zinc/70/13/78/1061701378.db2.gz AELWEFDOURBPAW-UHFFFAOYSA-N 1 0 479.589 2.866 20 5 JFBDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CC1 ZINC001294206037 1061710073 /nfs/dbraw/zinc/71/00/73/1061710073.db2.gz LLPPFSWTYQIQFW-UHFFFAOYSA-N 1 0 499.616 2.660 20 5 JFBDRO 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 1061761360 /nfs/dbraw/zinc/76/13/60/1061761360.db2.gz RBKCCEIZJLNRIO-ARFHVFGLSA-N 1 0 464.592 2.594 20 5 JFBDRO 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 1061762120 /nfs/dbraw/zinc/76/21/20/1061762120.db2.gz RBKCCEIZJLNRIO-OAGGEKHMSA-N 1 0 464.592 2.594 20 5 JFBDRO 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 1061762235 /nfs/dbraw/zinc/76/22/35/1061762235.db2.gz RBKCCEIZJLNRIO-XHSDSOJGSA-N 1 0 464.592 2.594 20 5 JFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001294417627 1061983984 /nfs/dbraw/zinc/98/39/84/1061983984.db2.gz RMANDHHPSDDVSO-GASCZTMLSA-N 1 0 457.369 2.799 20 5 JFBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC2CC2)CC1 ZINC001294676962 1062238436 /nfs/dbraw/zinc/23/84/36/1062238436.db2.gz ISYDFASODHCJJH-UHFFFAOYSA-N 1 0 455.563 2.690 20 5 JFBDRO CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001287160549 1062560616 /nfs/dbraw/zinc/56/06/16/1062560616.db2.gz SGBSZHCVHZKMBJ-CTNGQTDRSA-N 1 0 490.630 2.845 20 5 JFBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)C(=O)C1)[NH+](C)C ZINC001287322142 1062799701 /nfs/dbraw/zinc/79/97/01/1062799701.db2.gz NMFXXBDMPJOYOX-HXUWFJFHSA-N 1 0 455.563 2.641 20 5 JFBDRO CC(C)Cc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001287418057 1062855533 /nfs/dbraw/zinc/85/55/33/1062855533.db2.gz JKXOUZYSTVCNKV-UHFFFAOYSA-N 1 0 460.583 2.535 20 5 JFBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001295071547 1062893524 /nfs/dbraw/zinc/89/35/24/1062893524.db2.gz FCROTNQZTAITHP-VGSWGCGISA-N 1 0 454.575 2.554 20 5 JFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291010643 1062909606 /nfs/dbraw/zinc/90/96/06/1062909606.db2.gz YHZPPGANCAWJMD-KDURUIRLSA-N 1 0 469.590 2.890 20 5 JFBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295161375 1062983987 /nfs/dbraw/zinc/98/39/87/1062983987.db2.gz KZXHFPFXQFASSL-GHTZIAJQSA-N 1 0 490.630 2.987 20 5 JFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C3CCC(NC(=O)C4CC4)CC3)cc([N+](=O)[O-])c2)CC1 ZINC001287674211 1063035191 /nfs/dbraw/zinc/03/51/91/1063035191.db2.gz NUPOCFOSXRIKJI-UHFFFAOYSA-N 1 0 457.575 2.785 20 5 JFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)Cn3nc(C(F)(F)F)cc3C)cc([N+](=O)[O-])c2)CC1 ZINC001287675292 1063036266 /nfs/dbraw/zinc/03/62/66/1063036266.db2.gz ZRJXMJDAKGHMGB-UHFFFAOYSA-N 1 0 454.453 2.923 20 5 JFBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001287736541 1063059602 /nfs/dbraw/zinc/05/96/02/1063059602.db2.gz BBWKOJJDUVRROU-MOPGFXCFSA-N 1 0 469.590 2.888 20 5 JFBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001287739470 1063062529 /nfs/dbraw/zinc/06/25/29/1063062529.db2.gz RSVSQFJCQXWGBG-MOPGFXCFSA-N 1 0 469.590 2.888 20 5 JFBDRO CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CC2)[NH+](C)C)[C@H](C)C1=O ZINC001287750926 1063076068 /nfs/dbraw/zinc/07/60/68/1063076068.db2.gz OWCBQALQQSWIJE-DYESRHJHSA-N 1 0 469.590 2.887 20 5 JFBDRO 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 1063086628 /nfs/dbraw/zinc/08/66/28/1063086628.db2.gz HHDDGCXLCOSERN-FGTMMUONSA-N 1 0 455.563 2.641 20 5 JFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105487 1063087850 /nfs/dbraw/zinc/08/78/50/1063087850.db2.gz JUTBWQYHBHXCPV-ZIFCJYIRSA-N 1 0 455.563 2.675 20 5 JFBDRO CC1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(CCS(C)(=O)=O)C2CC2)CC1 ZINC001291183955 1063281623 /nfs/dbraw/zinc/28/16/23/1063281623.db2.gz KOGOIAUPVNEYGZ-UHFFFAOYSA-N 1 0 476.603 2.599 20 5 JFBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291186202 1063289364 /nfs/dbraw/zinc/28/93/64/1063289364.db2.gz BLANVBYXWWYMAS-KDURUIRLSA-N 1 0 486.621 2.919 20 5 JFBDRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001295378068 1063347563 /nfs/dbraw/zinc/34/75/63/1063347563.db2.gz XNWAACOLSSQDEX-UWJYYQICSA-N 1 0 485.589 2.916 20 5 JFBDRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001295388074 1063365496 /nfs/dbraw/zinc/36/54/96/1063365496.db2.gz IKDJWHBRLGCJRW-SFHVURJKSA-N 1 0 467.578 2.940 20 5 JFBDRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001295388633 1063365889 /nfs/dbraw/zinc/36/58/89/1063365889.db2.gz JOPUCTVVJYBJNR-IBGZPJMESA-N 1 0 479.589 2.624 20 5 JFBDRO CC[NH+](CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001295397677 1063384257 /nfs/dbraw/zinc/38/42/57/1063384257.db2.gz PVHMPJLDHRVZRA-LJQANCHMSA-N 1 0 467.530 2.856 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001295553489 1063586392 /nfs/dbraw/zinc/58/63/92/1063586392.db2.gz JQVAESCVUWNIRA-QGZVFWFLSA-N 1 0 457.579 2.936 20 5 JFBDRO CC(C)c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291287420 1063638865 /nfs/dbraw/zinc/63/88/65/1063638865.db2.gz BEGHFKWQCHBNLX-ROUUACIJSA-N 1 0 460.583 2.847 20 5 JFBDRO C[C@@H]1CSCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291310947 1063741336 /nfs/dbraw/zinc/74/13/36/1063741336.db2.gz LOAPRJMQZOLWIW-XLIONFOSSA-N 1 0 487.630 2.738 20 5 JFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001307199259 1063763252 /nfs/dbraw/zinc/76/32/52/1063763252.db2.gz IFKLJPLILJQIHZ-SFHVURJKSA-N 1 0 452.577 2.507 20 5 JFBDRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001291338427 1063808701 /nfs/dbraw/zinc/80/87/01/1063808701.db2.gz TUBLHIGEKWZOEO-MJGOQNOKSA-N 1 0 455.563 2.690 20 5 JFBDRO CC[C@@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001291508703 1064059914 /nfs/dbraw/zinc/05/99/14/1064059914.db2.gz PZSWTDLUHCUPFM-GOSISDBHSA-N 1 0 460.583 2.850 20 5 JFBDRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001296034267 1064092743 /nfs/dbraw/zinc/09/27/43/1064092743.db2.gz SOHXXQUITKGLMO-IBGZPJMESA-N 1 0 478.557 2.854 20 5 JFBDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001296041148 1064101333 /nfs/dbraw/zinc/10/13/33/1064101333.db2.gz YQXFHRNOKIIRJH-MRXNPFEDSA-N 1 0 467.496 2.879 20 5 JFBDRO C[N@H+](CC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)[C@@H]1CCC[C@H]1O ZINC001291599892 1064135093 /nfs/dbraw/zinc/13/50/93/1064135093.db2.gz ZOBSDGHLPGKLSK-NHCUHLMSSA-N 1 0 458.584 2.813 20 5 JFBDRO CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291610871 1064148729 /nfs/dbraw/zinc/14/87/29/1064148729.db2.gz RAHVROYZRMBAEW-VQTJNVASSA-N 1 0 486.621 2.922 20 5 JFBDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296126415 1064219941 /nfs/dbraw/zinc/21/99/41/1064219941.db2.gz PVXWUSAZPQGXDS-QGZVFWFLSA-N 1 0 468.562 2.812 20 5 JFBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cnccn2)CC1 ZINC001296184602 1064332286 /nfs/dbraw/zinc/33/22/86/1064332286.db2.gz LRVWECRIHPBUMM-LJQANCHMSA-N 1 0 479.589 2.553 20 5 JFBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC(n3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001296185614 1064333742 /nfs/dbraw/zinc/33/37/42/1064333742.db2.gz QARLMMOAJZWMSA-LJQANCHMSA-N 1 0 473.626 2.621 20 5 JFBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)CC1)[NH+]1CCOCC1 ZINC001291954007 1064566597 /nfs/dbraw/zinc/56/65/97/1064566597.db2.gz OZRUUBMSNHDNEY-QHCPKHFHSA-N 1 0 499.616 2.659 20 5 JFBDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC001292004044 1064624310 /nfs/dbraw/zinc/62/43/10/1064624310.db2.gz GXMVHEVTJQVINS-MRXNPFEDSA-N 1 0 450.492 3.000 20 5 JFBDRO CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001292186576 1064978296 /nfs/dbraw/zinc/97/82/96/1064978296.db2.gz SCYUAOKBIYSEEG-WMZOPIPTSA-N 1 0 464.592 2.597 20 5 JFBDRO Nc1c(Cl)cc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1[N+](=O)[O-] ZINC001292308072 1065077204 /nfs/dbraw/zinc/07/72/04/1065077204.db2.gz DISLSDBQBIVSRR-INIZCTEOSA-N 1 0 458.950 2.900 20 5 JFBDRO Nc1c(Cl)cc(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1[N+](=O)[O-] ZINC001292308073 1065077271 /nfs/dbraw/zinc/07/72/71/1065077271.db2.gz DISLSDBQBIVSRR-MRXNPFEDSA-N 1 0 458.950 2.900 20 5 JFBDRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC[NH+](CC)CC1 ZINC001293220153 1065869959 /nfs/dbraw/zinc/86/99/59/1065869959.db2.gz QZDAQSKOCIREQF-HXUWFJFHSA-N 1 0 455.563 2.690 20 5 JFBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001293359131 1065963434 /nfs/dbraw/zinc/96/34/34/1065963434.db2.gz LFMOFMSSOGFFCW-GOSISDBHSA-N 1 0 487.609 2.627 20 5 JFBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC001293538584 1066056039 /nfs/dbraw/zinc/05/60/39/1066056039.db2.gz DMUHKRQFCZPFLE-KNQAVFIVSA-N 1 0 471.606 2.742 20 5 JFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001293839662 1066343773 /nfs/dbraw/zinc/34/37/73/1066343773.db2.gz ZQXHKCMEVBFKLX-LJQANCHMSA-N 1 0 454.527 2.704 20 5 JFBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164719061 720124035 /nfs/dbraw/zinc/12/40/35/720124035.db2.gz UZFXUEZEGLSBTA-SFHVURJKSA-N 1 0 455.515 2.679 20 5 JFBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])CC2 ZINC001164713456 720155359 /nfs/dbraw/zinc/15/53/59/720155359.db2.gz KWDXUXQAWXFKID-IBGZPJMESA-N 1 0 469.546 2.554 20 5 JFBDRO Cn1nnc2c1CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716509 720174286 /nfs/dbraw/zinc/17/42/86/720174286.db2.gz GDISGSUYAKUPGS-SFHVURJKSA-N 1 0 472.937 2.536 20 5 JFBDRO Cn1nnc2c1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164716588 720176431 /nfs/dbraw/zinc/17/64/31/720176431.db2.gz IEOTVQJEEYDDES-INIZCTEOSA-N 1 0 471.896 2.533 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826038 720296830 /nfs/dbraw/zinc/29/68/30/720296830.db2.gz VBRYKRJQLFXAKC-DLBZAZTESA-N 1 0 479.965 2.731 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001164830539 720344659 /nfs/dbraw/zinc/34/46/59/720344659.db2.gz VWUVJTUSHHOVSL-VXKWHMMOSA-N 1 0 450.543 2.963 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752821 720813871 /nfs/dbraw/zinc/81/38/71/720813871.db2.gz ZYYBTQFELOFESL-SOLBZPMBSA-N 1 0 489.964 2.791 20 5 JFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748061 720874385 /nfs/dbraw/zinc/87/43/85/720874385.db2.gz DOMRYSBVBVZFJS-NLFFAJNJSA-N 1 0 481.553 2.927 20 5 JFBDRO COC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164753465 720881668 /nfs/dbraw/zinc/88/16/68/720881668.db2.gz PNJODBWBXVNGJU-OFVILXPXSA-N 1 0 481.553 2.927 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866571 721053193 /nfs/dbraw/zinc/05/31/93/721053193.db2.gz FQCGVLHIDVYPFY-HOTGVXAUSA-N 1 0 461.906 2.695 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)O2)CC1 ZINC001164893544 721384055 /nfs/dbraw/zinc/38/40/55/721384055.db2.gz VABHXQPPDPQJRP-QFBILLFUSA-N 1 0 459.925 2.954 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892893 721387041 /nfs/dbraw/zinc/38/70/41/721387041.db2.gz UGNWOISQGVOAMS-ZHRRBRCNSA-N 1 0 481.981 2.585 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892892 721387177 /nfs/dbraw/zinc/38/71/77/721387177.db2.gz UGNWOISQGVOAMS-OPAMFIHVSA-N 1 0 481.981 2.585 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C3)O2)CC1 ZINC001164889010 721401503 /nfs/dbraw/zinc/40/15/03/721401503.db2.gz QCDYNIBHVDWXKK-VQIMIIECSA-N 1 0 459.925 2.954 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164893088 721435643 /nfs/dbraw/zinc/43/56/43/721435643.db2.gz IZSCUIMWJOJJFW-ACJLOTCBSA-N 1 0 478.903 2.822 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984322 722103344 /nfs/dbraw/zinc/10/33/44/722103344.db2.gz SLVPEVHLXHTUKU-LSDHHAIUSA-N 1 0 450.952 2.882 20 5 JFBDRO C[C@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264890946 1059718538 /nfs/dbraw/zinc/71/85/38/1059718538.db2.gz MHKNIRDGFYKGTR-NYHFZMIOSA-N 1 0 455.490 2.856 20 5 JFBDRO C[C@H]1C[C@@H](N(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001265280184 1059815935 /nfs/dbraw/zinc/81/59/35/1059815935.db2.gz VKXSCJHXTWTFJL-WMZOPIPTSA-N 1 0 450.495 2.702 20 5 JFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001265557024 1059885895 /nfs/dbraw/zinc/88/58/95/1059885895.db2.gz NIIKZTIDNNDYED-VQIMIIECSA-N 1 0 450.495 2.889 20 5 JFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC001280370655 1060003450 /nfs/dbraw/zinc/00/34/50/1060003450.db2.gz TYBBPKLYYADNPK-UHFFFAOYSA-N 1 0 454.593 2.541 20 5 JFBDRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCOC(C)C)C[C@@H]2C)CC1 ZINC001286872529 1061278888 /nfs/dbraw/zinc/27/88/88/1061278888.db2.gz VZIUSEXOBPPGLM-CVDCTZTESA-N 1 0 499.616 2.657 20 5 JFBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001286873804 1061287605 /nfs/dbraw/zinc/28/76/05/1061287605.db2.gz LCAWTUHXZSAMNB-UHFFFAOYSA-N 1 0 455.563 2.644 20 5 JFBDRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001286906231 1061424475 /nfs/dbraw/zinc/42/44/75/1061424475.db2.gz GSMVRJJFNYPLSA-PXNSSMCTSA-N 1 0 455.563 2.690 20 5 JFBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc1OC ZINC001294101282 1061581763 /nfs/dbraw/zinc/58/17/63/1061581763.db2.gz ZLBWTCGAQJVXTR-UHFFFAOYSA-N 1 0 459.499 2.838 20 5 JFBDRO Cc1cccc(OCc2nnc(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001290071549 1061797976 /nfs/dbraw/zinc/79/79/76/1061797976.db2.gz OPNADRJWLKVRHF-IBGZPJMESA-N 1 0 480.573 2.745 20 5 JFBDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001294651815 1062198114 /nfs/dbraw/zinc/19/81/14/1062198114.db2.gz SYEVNKCBLSGRPY-GOSISDBHSA-N 1 0 452.563 2.998 20 5 JFBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294700517 1062265719 /nfs/dbraw/zinc/26/57/19/1062265719.db2.gz TYJVVSQMNKJCEF-FXAWDEMLSA-N 1 0 455.563 2.785 20 5 JFBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294701436 1062267396 /nfs/dbraw/zinc/26/73/96/1062267396.db2.gz ZXQZYRDCWITGKC-ICSRJNTNSA-N 1 0 455.563 2.820 20 5 JFBDRO CC(C)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001287113159 1062332385 /nfs/dbraw/zinc/33/23/85/1062332385.db2.gz FZYKXGHJCMTFDM-UHFFFAOYSA-N 1 0 457.579 2.888 20 5 JFBDRO CC(C)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001287113841 1062334084 /nfs/dbraw/zinc/33/40/84/1062334084.db2.gz OQGRQSPWIJFEBH-SFHVURJKSA-N 1 0 455.563 2.642 20 5 JFBDRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001287334366 1062812302 /nfs/dbraw/zinc/81/23/02/1062812302.db2.gz RBNGFTDCUORWFV-PKOBYXMFSA-N 1 0 460.583 2.705 20 5 JFBDRO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001295056721 1062861598 /nfs/dbraw/zinc/86/15/98/1062861598.db2.gz FLATWJBOWIENTP-QGZVFWFLSA-N 1 0 455.563 2.642 20 5 JFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291102183 1063076253 /nfs/dbraw/zinc/07/62/53/1063076253.db2.gz ISXNRNTXRISTLO-QGZVFWFLSA-N 1 0 455.563 2.642 20 5 JFBDRO CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1=O ZINC001287750933 1063076884 /nfs/dbraw/zinc/07/68/84/1063076884.db2.gz OWCBQALQQSWIJE-UTKZUKDTSA-N 1 0 469.590 2.887 20 5 JFBDRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001291105938 1063089654 /nfs/dbraw/zinc/08/96/54/1063089654.db2.gz PSOSKLARPDGTNS-AOIWGVFYSA-N 1 0 455.563 2.894 20 5 JFBDRO C[C@@H]1CCC[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)CC2)C1 ZINC001291123632 1063139411 /nfs/dbraw/zinc/13/94/11/1063139411.db2.gz OCXBLQCXLMNXKP-GOSISDBHSA-N 1 0 455.563 2.692 20 5 JFBDRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141029 1063213016 /nfs/dbraw/zinc/21/30/16/1063213016.db2.gz HYTJNQWVXHXCPD-ZWKOTPCHSA-N 1 0 493.634 2.553 20 5 JFBDRO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291141473 1063215178 /nfs/dbraw/zinc/21/51/78/1063215178.db2.gz OCGOMFZAVBLLEQ-HXUWFJFHSA-N 1 0 498.632 2.772 20 5 JFBDRO CC1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001291181830 1063276336 /nfs/dbraw/zinc/27/63/36/1063276336.db2.gz ULXOZWNLGMLABD-IBGZPJMESA-N 1 0 455.563 2.677 20 5 JFBDRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([NH+](C)C)CCCCC1 ZINC001291189429 1063309933 /nfs/dbraw/zinc/30/99/33/1063309933.db2.gz BAAYHMQLMIAOKA-KRWDZBQOSA-N 1 0 455.563 2.785 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001295369104 1063334364 /nfs/dbraw/zinc/33/43/64/1063334364.db2.gz ZTHFIMSMXGBSQU-QGZVFWFLSA-N 1 0 470.578 2.578 20 5 JFBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(O)CC2)C[C@H](C(F)(F)F)O1 ZINC001291215343 1063424906 /nfs/dbraw/zinc/42/49/06/1063424906.db2.gz NJHROKBSHVWPMT-DNVCBOLYSA-N 1 0 498.506 2.856 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295554333 1063588373 /nfs/dbraw/zinc/58/83/73/1063588373.db2.gz VNVJBZFRJXNBNP-MRXNPFEDSA-N 1 0 464.592 2.597 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001295554605 1063588935 /nfs/dbraw/zinc/58/89/35/1063588935.db2.gz WUSGQSIEIRWVFO-GOSISDBHSA-N 1 0 457.579 2.888 20 5 JFBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001295980257 1064030078 /nfs/dbraw/zinc/03/00/78/1064030078.db2.gz YJDLVJCTCMAWCK-IRXDYDNUSA-N 1 0 476.603 2.597 20 5 JFBDRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001296133261 1064233084 /nfs/dbraw/zinc/23/30/84/1064233084.db2.gz YLXLJZBKTMNJBT-FQEVSTJZSA-N 1 0 478.601 2.835 20 5 JFBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(n3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001296191579 1064342531 /nfs/dbraw/zinc/34/25/31/1064342531.db2.gz JSIRGTMDXIHXDV-HXUWFJFHSA-N 1 0 487.653 2.696 20 5 JFBDRO CCN1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296194785 1064358252 /nfs/dbraw/zinc/35/82/52/1064358252.db2.gz FXOJMGLIDOZSQQ-BGYRXZFFSA-N 1 0 471.606 2.885 20 5 JFBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)[C@@H]1CC)[NH+](C)C ZINC001291952021 1064564531 /nfs/dbraw/zinc/56/45/31/1064564531.db2.gz HAKNMLDFVMTVCO-VQTJNVASSA-N 1 0 457.579 2.935 20 5 JFBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291954309 1064567565 /nfs/dbraw/zinc/56/75/65/1064567565.db2.gz QFARVLXUBBSGAN-WOJBJXKFSA-N 1 0 478.619 2.843 20 5 JFBDRO COc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001292077530 1064759902 /nfs/dbraw/zinc/75/99/02/1064759902.db2.gz LMMDYWJTBCMBIW-LJQANCHMSA-N 1 0 455.511 2.977 20 5 JFBDRO O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001293745492 1066215248 /nfs/dbraw/zinc/21/52/48/1066215248.db2.gz LTBUMLWQHWYTCL-KRWDZBQOSA-N 1 0 459.524 2.920 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001164615968 719019568 /nfs/dbraw/zinc/01/95/68/719019568.db2.gz KEOOVYCQHONFPH-DQYPLSBCSA-N 1 0 467.860 2.980 20 5 JFBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])CC2 ZINC001164714532 720157346 /nfs/dbraw/zinc/15/73/46/720157346.db2.gz QIJTZXXBXXXBBH-SFHVURJKSA-N 1 0 455.515 2.679 20 5 JFBDRO Cn1nnc2c1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716589 720176000 /nfs/dbraw/zinc/17/60/00/720176000.db2.gz IEOTVQJEEYDDES-MRXNPFEDSA-N 1 0 471.896 2.533 20 5 JFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CCC2 ZINC001164813869 720236468 /nfs/dbraw/zinc/23/64/68/720236468.db2.gz QQPRHUMALITESL-UHFFFAOYSA-N 1 0 475.859 2.864 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823880 720298075 /nfs/dbraw/zinc/29/80/75/720298075.db2.gz QOXQEERITZWSPP-KGLIPLIRSA-N 1 0 454.984 2.672 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164833929 720322196 /nfs/dbraw/zinc/32/21/96/720322196.db2.gz XZYSKVHPPZPPIV-UONOGXRCSA-N 1 0 454.984 2.672 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740016 720832301 /nfs/dbraw/zinc/83/23/01/720832301.db2.gz BNPZACZKHFFIMT-RRFJBIMHSA-N 1 0 464.983 2.731 20 5 JFBDRO COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164757438 720888785 /nfs/dbraw/zinc/88/87/85/720888785.db2.gz URQQEHWODSXNJJ-YADARESESA-N 1 0 484.557 2.552 20 5 JFBDRO COc1ncnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755669 720889975 /nfs/dbraw/zinc/88/99/75/720889975.db2.gz MKVXIJRONZIUFE-WMZHIEFXSA-N 1 0 454.531 2.544 20 5 JFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754260 720938211 /nfs/dbraw/zinc/93/82/11/720938211.db2.gz VOYWKBYTPQUFNF-NBGIEHNGSA-N 1 0 481.553 2.927 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866572 721053559 /nfs/dbraw/zinc/05/35/59/721053559.db2.gz FQCGVLHIDVYPFY-HZPDHXFCSA-N 1 0 461.906 2.695 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164885588 721398387 /nfs/dbraw/zinc/39/83/87/721398387.db2.gz CQHFPAGNANRRQO-JTSKRJEESA-N 1 0 460.966 2.957 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C3)O2)CC1 ZINC001164889004 721401401 /nfs/dbraw/zinc/40/14/01/721401401.db2.gz QCDYNIBHVDWXKK-LPHOPBHVSA-N 1 0 459.925 2.954 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C3)O2)CC1 ZINC001164888736 721440648 /nfs/dbraw/zinc/44/06/48/721440648.db2.gz APCJSCKLKQSCGN-CYFREDJKSA-N 1 0 452.559 2.817 20 5 JFBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n2)CC3)CC1 ZINC001164794295 721522211 /nfs/dbraw/zinc/52/22/11/721522211.db2.gz BHENCHKNPWHECE-UHFFFAOYSA-N 1 0 451.506 2.760 20 5 JFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1C ZINC001165043641 721922382 /nfs/dbraw/zinc/92/23/82/721922382.db2.gz OJZFSLWVKAITKG-INIZCTEOSA-N 1 0 457.560 2.762 20 5 JFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164967698 722076429 /nfs/dbraw/zinc/07/64/29/722076429.db2.gz JLNGRLSWPPDYPO-CALCHBBNSA-N 1 0 469.571 2.761 20 5 JFBDRO COc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164975077 722120128 /nfs/dbraw/zinc/12/01/28/722120128.db2.gz JGLHQHJJOIUNOI-VGOFRKELSA-N 1 0 450.499 2.669 20 5 JFBDRO C[C@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264890947 1059718510 /nfs/dbraw/zinc/71/85/10/1059718510.db2.gz MHKNIRDGFYKGTR-OYHNWAKOSA-N 1 0 455.490 2.856 20 5 JFBDRO COc1cc(OCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)ccc1[N+](=O)[O-] ZINC001265246835 1059806120 /nfs/dbraw/zinc/80/61/20/1059806120.db2.gz GPICRQHHFLPSDG-SFHVURJKSA-N 1 0 456.499 2.787 20 5 JFBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001286873443 1061286261 /nfs/dbraw/zinc/28/62/61/1061286261.db2.gz GHKJBYQEUWHTDH-QYZOEREBSA-N 1 0 499.616 2.798 20 5 JFBDRO CC(=O)Nc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](C(C)C)CC2)cn1 ZINC001286893339 1061369202 /nfs/dbraw/zinc/36/92/02/1061369202.db2.gz CSKIJARHDUMCIL-UHFFFAOYSA-N 1 0 464.530 2.785 20 5 JFBDRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001286906230 1061424506 /nfs/dbraw/zinc/42/45/06/1061424506.db2.gz GSMVRJJFNYPLSA-FXAWDEMLSA-N 1 0 455.563 2.690 20 5 JFBDRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001286923979 1061529007 /nfs/dbraw/zinc/52/90/07/1061529007.db2.gz CMWXFVSXBZIMIR-MBSDFSHPSA-N 1 0 487.630 2.643 20 5 JFBDRO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001286932317 1061561555 /nfs/dbraw/zinc/56/15/55/1061561555.db2.gz RZKCTXJHEZDCBA-GOSISDBHSA-N 1 0 469.590 2.938 20 5 JFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC001294100996 1061581654 /nfs/dbraw/zinc/58/16/54/1061581654.db2.gz MNTFHODRJARLMX-HDICACEKSA-N 1 0 459.591 2.607 20 5 JFBDRO C[C@@H]1C[NH+](CCCCNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001294417629 1061983727 /nfs/dbraw/zinc/98/37/27/1061983727.db2.gz RMANDHHPSDDVSO-HUUCEWRRSA-N 1 0 457.369 2.799 20 5 JFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)COCCO2)C1 ZINC001294458630 1062005811 /nfs/dbraw/zinc/00/58/11/1062005811.db2.gz QSCIRWWWMWSHFT-JPYJTQIMSA-N 1 0 458.563 2.827 20 5 JFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)COCCO2)C1 ZINC001294458627 1062006164 /nfs/dbraw/zinc/00/61/64/1062006164.db2.gz QSCIRWWWMWSHFT-FDDCHVKYSA-N 1 0 458.563 2.827 20 5 JFBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294701437 1062267182 /nfs/dbraw/zinc/26/71/82/1062267182.db2.gz ZXQZYRDCWITGKC-QUCCMNQESA-N 1 0 455.563 2.820 20 5 JFBDRO CC(C)C(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001287128882 1062403836 /nfs/dbraw/zinc/40/38/36/1062403836.db2.gz IUKXMUQVMUGVBH-UHFFFAOYSA-N 1 0 457.579 2.936 20 5 JFBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001294859310 1062562580 /nfs/dbraw/zinc/56/25/80/1062562580.db2.gz SJAVIQMURVFEJF-UHFFFAOYSA-N 1 0 455.515 2.897 20 5 JFBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001290847555 1062733646 /nfs/dbraw/zinc/73/36/46/1062733646.db2.gz QSBPHNODDDEZKX-QINHECLXSA-N 1 0 458.563 2.753 20 5 JFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291010644 1062909551 /nfs/dbraw/zinc/90/95/51/1062909551.db2.gz YHZPPGANCAWJMD-OALUTQOASA-N 1 0 469.590 2.890 20 5 JFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001287668836 1063033755 /nfs/dbraw/zinc/03/37/55/1063033755.db2.gz ATUVWCHQDLCRNR-UHFFFAOYSA-N 1 0 456.503 2.988 20 5 JFBDRO 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 1063086667 /nfs/dbraw/zinc/08/66/67/1063086667.db2.gz HHDDGCXLCOSERN-KZNAEPCWSA-N 1 0 455.563 2.641 20 5 JFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291106242 1063091904 /nfs/dbraw/zinc/09/19/04/1063091904.db2.gz UDSGXBPDOPIQMP-PMACEKPBSA-N 1 0 471.606 2.742 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001295377144 1063346954 /nfs/dbraw/zinc/34/69/54/1063346954.db2.gz SFTIPGAPBSPVFO-MSOLQXFVSA-N 1 0 460.583 2.849 20 5 JFBDRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001295652054 1063696084 /nfs/dbraw/zinc/69/60/84/1063696084.db2.gz YMJKIWJMTSPESC-JOCHJYFZSA-N 1 0 482.589 2.970 20 5 JFBDRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001291338425 1063808529 /nfs/dbraw/zinc/80/85/29/1063808529.db2.gz TUBLHIGEKWZOEO-HKUYNNGSSA-N 1 0 455.563 2.690 20 5 JFBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@@H]1C)CCC(F)(F)F ZINC001295828180 1063838682 /nfs/dbraw/zinc/83/86/82/1063838682.db2.gz WJPJULGTHORKJJ-HNNXBMFYSA-N 1 0 483.495 2.795 20 5 JFBDRO CC[NH+]1CCC(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001296021478 1064082378 /nfs/dbraw/zinc/08/23/78/1064082378.db2.gz HUKLNWSYYSBSMN-LJQANCHMSA-N 1 0 455.563 2.677 20 5 JFBDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)C1 ZINC001296037229 1064097631 /nfs/dbraw/zinc/09/76/31/1064097631.db2.gz LSACHSJXWRZYOR-QUCCMNQESA-N 1 0 469.590 2.936 20 5 JFBDRO CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001291611840 1064149693 /nfs/dbraw/zinc/14/96/93/1064149693.db2.gz YWWGZJOEYUFSTN-WOJBJXKFSA-N 1 0 471.606 2.995 20 5 JFBDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001291772238 1064255515 /nfs/dbraw/zinc/25/55/15/1064255515.db2.gz PKQFJTGCTNRFMJ-SFHVURJKSA-N 1 0 465.562 2.700 20 5 JFBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(OCCOC)CCOCC2)C[C@@H]1C ZINC001296147376 1064258319 /nfs/dbraw/zinc/25/83/19/1064258319.db2.gz OAOCSIYOSXLVBH-IBGZPJMESA-N 1 0 488.589 2.596 20 5 JFBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+](C)C ZINC001291950905 1064562423 /nfs/dbraw/zinc/56/24/23/1064562423.db2.gz AQTAENJLGWEEPH-OXQOHEQNSA-N 1 0 457.579 2.887 20 5 JFBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)[C@@H]1CC)[NH+](C)C ZINC001291952019 1064564624 /nfs/dbraw/zinc/56/46/24/1064564624.db2.gz HAKNMLDFVMTVCO-PMACEKPBSA-N 1 0 457.579 2.935 20 5 JFBDRO CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001292186559 1064978374 /nfs/dbraw/zinc/97/83/74/1064978374.db2.gz SCPHMGCIJGLUOY-ZHALLVOQSA-N 1 0 478.619 2.986 20 5 JFBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293364233 1065968368 /nfs/dbraw/zinc/96/83/68/1065968368.db2.gz MGPSPMPRUXPIAI-ICSRJNTNSA-N 1 0 476.603 2.741 20 5 JFBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC001293538586 1066055992 /nfs/dbraw/zinc/05/59/92/1066055992.db2.gz DMUHKRQFCZPFLE-UGKGYDQZSA-N 1 0 471.606 2.742 20 5 JFBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc(Cl)cn2)CC[N@@H+]1CCOC ZINC001293540979 1066060827 /nfs/dbraw/zinc/06/08/27/1066060827.db2.gz RWIHAETZLDWABR-IBGZPJMESA-N 1 0 488.980 2.950 20 5 JFBDRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC001293691836 1066175508 /nfs/dbraw/zinc/17/55/08/1066175508.db2.gz YRSZOOUFJOTEKR-UHFFFAOYSA-N 1 0 451.527 2.908 20 5 JFBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c(Cl)nn1 ZINC001164416407 718886031 /nfs/dbraw/zinc/88/60/31/718886031.db2.gz VWDQFRGZILDOFB-UHFFFAOYSA-N 1 0 476.875 2.941 20 5 JFBDRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164432388 718967698 /nfs/dbraw/zinc/96/76/98/718967698.db2.gz HCVHJJOCDRVPPJ-KBPBESRZSA-N 1 0 458.771 2.710 20 5 JFBDRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164432390 718968476 /nfs/dbraw/zinc/96/84/76/718968476.db2.gz HCVHJJOCDRVPPJ-UONOGXRCSA-N 1 0 458.771 2.710 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164619270 719020245 /nfs/dbraw/zinc/02/02/45/719020245.db2.gz VIPWSNGMVIKPFZ-MZPVMMEZSA-N 1 0 467.860 2.980 20 5 JFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683974 719659716 /nfs/dbraw/zinc/65/97/16/719659716.db2.gz VULVXHQPRCUHOB-SFHVURJKSA-N 1 0 495.580 2.870 20 5 JFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680314 719673536 /nfs/dbraw/zinc/67/35/36/719673536.db2.gz CSXCMQLOFPWXIL-IBGZPJMESA-N 1 0 467.570 2.630 20 5 JFBDRO Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC001164687104 719681953 /nfs/dbraw/zinc/68/19/53/719681953.db2.gz PTVXLNPPLNZPOM-GOSISDBHSA-N 1 0 452.559 2.787 20 5 JFBDRO Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164718241 720199521 /nfs/dbraw/zinc/19/95/21/720199521.db2.gz YYWZCUDNOXMLAP-OAQYLSRUSA-N 1 0 478.557 2.705 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001164829617 720339879 /nfs/dbraw/zinc/33/98/79/720339879.db2.gz STVRXJFEBYCYHA-STQMWFEESA-N 1 0 476.887 2.969 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001164829616 720340246 /nfs/dbraw/zinc/34/02/46/720340246.db2.gz STVRXJFEBYCYHA-QWHCGFSZSA-N 1 0 476.887 2.969 20 5 JFBDRO COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164749128 720868974 /nfs/dbraw/zinc/86/89/74/720868974.db2.gz GZZADNMBQNGSFC-XXBNENTESA-N 1 0 454.531 2.544 20 5 JFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748056 720873842 /nfs/dbraw/zinc/87/38/42/720873842.db2.gz DOMRYSBVBVZFJS-CJFMBICVSA-N 1 0 481.553 2.927 20 5 JFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758784 720889485 /nfs/dbraw/zinc/88/94/85/720889485.db2.gz ZKSOPTBTRYGMAH-HYBUGGRVSA-N 1 0 468.558 2.852 20 5 JFBDRO CCOC(=O)c1nc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164854557 720927649 /nfs/dbraw/zinc/92/76/49/720927649.db2.gz FXCOUJDGZXQOGJ-GFCCVEGCSA-N 1 0 451.915 2.833 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866570 721052724 /nfs/dbraw/zinc/05/27/24/721052724.db2.gz FQCGVLHIDVYPFY-CVEARBPZSA-N 1 0 461.906 2.695 20 5 JFBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC2)C1 ZINC001164869850 721270444 /nfs/dbraw/zinc/27/04/44/721270444.db2.gz QAXUQCPFAOMQHX-UHFFFAOYSA-N 1 0 461.950 2.803 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886241 721398370 /nfs/dbraw/zinc/39/83/70/721398370.db2.gz DSBNEBNKYFVOOP-AOMKIAJQSA-N 1 0 460.966 2.957 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899077 721444243 /nfs/dbraw/zinc/44/42/43/721444243.db2.gz XVENKFSATYXVQQ-NTKDMRAZSA-N 1 0 470.549 2.956 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164889622 721452648 /nfs/dbraw/zinc/45/26/48/721452648.db2.gz OJYMRGAPFSBUFG-VGSWGCGISA-N 1 0 460.966 2.957 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164889613 721452999 /nfs/dbraw/zinc/45/29/99/721452999.db2.gz OJYMRGAPFSBUFG-HTAPYJJXSA-N 1 0 460.966 2.957 20 5 JFBDRO COC(=O)c1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904819 721692274 /nfs/dbraw/zinc/69/22/74/721692274.db2.gz GRRUSFAGVZPAOW-LJQANCHMSA-N 1 0 482.875 2.958 20 5 JFBDRO COc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164906070 721703587 /nfs/dbraw/zinc/70/35/87/721703587.db2.gz JPOPBGWZRMOQSU-LJQANCHMSA-N 1 0 450.446 2.535 20 5 JFBDRO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001286932308 1061561483 /nfs/dbraw/zinc/56/14/83/1061561483.db2.gz RRZXHBZXYWHRDM-NRFANRHFSA-N 1 0 455.563 2.546 20 5 JFBDRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C1CCCC1 ZINC001286973404 1061760691 /nfs/dbraw/zinc/76/06/91/1061760691.db2.gz QPXCNSWVLWQWBF-IRXDYDNUSA-N 1 0 478.619 2.986 20 5 JFBDRO 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 1061761608 /nfs/dbraw/zinc/76/16/08/1061761608.db2.gz RBKCCEIZJLNRIO-BZUAXINKSA-N 1 0 464.592 2.594 20 5 JFBDRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC001294666711 1062220567 /nfs/dbraw/zinc/22/05/67/1062220567.db2.gz JPVFDJVKPZJYMK-UHFFFAOYSA-N 1 0 472.594 2.566 20 5 JFBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294701438 1062267470 /nfs/dbraw/zinc/26/74/70/1062267470.db2.gz ZXQZYRDCWITGKC-UYAOXDASSA-N 1 0 455.563 2.820 20 5 JFBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294745671 1062338512 /nfs/dbraw/zinc/33/85/12/1062338512.db2.gz SSBBJXOROLNINA-PMACEKPBSA-N 1 0 476.603 2.741 20 5 JFBDRO CCCNC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001294842655 1062537669 /nfs/dbraw/zinc/53/76/69/1062537669.db2.gz QUDKJMPCPPZXEJ-FQEVSTJZSA-N 1 0 455.563 2.834 20 5 JFBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001290847551 1062733524 /nfs/dbraw/zinc/73/35/24/1062733524.db2.gz QSBPHNODDDEZKX-FTRWYGJKSA-N 1 0 458.563 2.753 20 5 JFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291010505 1062909090 /nfs/dbraw/zinc/90/90/90/1062909090.db2.gz WCWFYYURZHTNEV-KDURUIRLSA-N 1 0 490.630 2.846 20 5 JFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291010645 1062909438 /nfs/dbraw/zinc/90/94/38/1062909438.db2.gz YHZPPGANCAWJMD-RTBURBONSA-N 1 0 469.590 2.890 20 5 JFBDRO CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287471332 1062919497 /nfs/dbraw/zinc/91/94/97/1062919497.db2.gz LFWPUGXZCFDLJG-UHFFFAOYSA-N 1 0 485.633 2.947 20 5 JFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)cc([N+](=O)[O-])c2)CC1 ZINC001287669842 1063034118 /nfs/dbraw/zinc/03/41/18/1063034118.db2.gz IANAURRVZKEXDT-SFHVURJKSA-N 1 0 459.591 2.984 20 5 JFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105485 1063087943 /nfs/dbraw/zinc/08/79/43/1063087943.db2.gz JUTBWQYHBHXCPV-LMMKCTJWSA-N 1 0 455.563 2.675 20 5 JFBDRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001291108198 1063099076 /nfs/dbraw/zinc/09/90/76/1063099076.db2.gz RICIJRDGOHSQQE-GGPKGHCWSA-N 1 0 490.630 2.845 20 5 JFBDRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291141027 1063212869 /nfs/dbraw/zinc/21/28/69/1063212869.db2.gz HYTJNQWVXHXCPD-QZTJIDSGSA-N 1 0 493.634 2.553 20 5 JFBDRO CC(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291215721 1063429317 /nfs/dbraw/zinc/42/93/17/1063429317.db2.gz UULUWFAOGNKSHL-RXVVDRJESA-N 1 0 458.563 2.825 20 5 JFBDRO 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 1063431878 /nfs/dbraw/zinc/43/18/78/1063431878.db2.gz ZULWIERYEPPQSP-RXVVDRJESA-N 1 0 499.616 2.800 20 5 JFBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001295527115 1063564690 /nfs/dbraw/zinc/56/46/90/1063564690.db2.gz CUFUQBMAPFGBHA-SIKLNZKXSA-N 1 0 471.606 2.742 20 5 JFBDRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001291338428 1063808664 /nfs/dbraw/zinc/80/86/64/1063808664.db2.gz TUBLHIGEKWZOEO-PKOBYXMFSA-N 1 0 455.563 2.690 20 5 JFBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)C(C)=O)CC1)C1CC1 ZINC001295827779 1063838017 /nfs/dbraw/zinc/83/80/17/1063838017.db2.gz RFMIADLWAALBNA-UHFFFAOYSA-N 1 0 455.563 2.785 20 5 JFBDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296037235 1064097611 /nfs/dbraw/zinc/09/76/11/1064097611.db2.gz LVSFBRFLQXGORR-QGZVFWFLSA-N 1 0 476.603 2.599 20 5 JFBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001296059359 1064122240 /nfs/dbraw/zinc/12/22/40/1064122240.db2.gz CWESEUSNBBOYFR-RTWAWAEBSA-N 1 0 458.563 2.968 20 5 JFBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001296088337 1064157773 /nfs/dbraw/zinc/15/77/73/1064157773.db2.gz KOECQRNEPRGVCE-FXAWDEMLSA-N 1 0 455.563 2.820 20 5 JFBDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296126414 1064219913 /nfs/dbraw/zinc/21/99/13/1064219913.db2.gz PVXWUSAZPQGXDS-KRWDZBQOSA-N 1 0 468.562 2.812 20 5 JFBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(OCCOC)CCOCC2)C[C@H]1C ZINC001296147378 1064258370 /nfs/dbraw/zinc/25/83/70/1064258370.db2.gz OAOCSIYOSXLVBH-LJQANCHMSA-N 1 0 488.589 2.596 20 5 JFBDRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCCOC(F)F)C2)CC1 ZINC001296179863 1064310280 /nfs/dbraw/zinc/31/02/80/1064310280.db2.gz JKQYVCDCSKELRS-LJQANCHMSA-N 1 0 479.532 2.699 20 5 JFBDRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(n3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001296191578 1064342584 /nfs/dbraw/zinc/34/25/84/1064342584.db2.gz JSIRGTMDXIHXDV-FQEVSTJZSA-N 1 0 487.653 2.696 20 5 JFBDRO COc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001292077528 1064760045 /nfs/dbraw/zinc/76/00/45/1064760045.db2.gz LMMDYWJTBCMBIW-IBGZPJMESA-N 1 0 455.511 2.977 20 5 JFBDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001292116271 1064837673 /nfs/dbraw/zinc/83/76/73/1064837673.db2.gz QTNLUUDJLQNQBL-IBGZPJMESA-N 1 0 498.632 2.916 20 5 JFBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC001293540957 1066060267 /nfs/dbraw/zinc/06/02/67/1066060267.db2.gz RTDCLIHGNSORRI-FXAWDEMLSA-N 1 0 458.563 2.968 20 5 JFBDRO CCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001293804526 1066314115 /nfs/dbraw/zinc/31/41/15/1066314115.db2.gz GJBGACKWAMBOJR-DEOSSOPVSA-N 1 0 472.590 2.953 20 5 JFBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)c1 ZINC001164425560 718919029 /nfs/dbraw/zinc/91/90/29/718919029.db2.gz SZJSRDGXICRVSY-LJQANCHMSA-N 1 0 469.876 2.835 20 5 JFBDRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164434164 718969095 /nfs/dbraw/zinc/96/90/95/718969095.db2.gz PFDNYDDSZTUAPL-ZIAGYGMSSA-N 1 0 458.771 2.710 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001164614037 719019611 /nfs/dbraw/zinc/01/96/11/719019611.db2.gz BNMQDXJBJIDTJO-DQYPLSBCSA-N 1 0 467.860 2.980 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)c2ccccc21 ZINC001164681039 719672542 /nfs/dbraw/zinc/67/25/42/719672542.db2.gz IWOJLARIDMLEIQ-QGZVFWFLSA-N 1 0 452.559 2.665 20 5 JFBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])CC2 ZINC001164718082 720109592 /nfs/dbraw/zinc/10/95/92/720109592.db2.gz ROKXGFATTNZUHE-IBGZPJMESA-N 1 0 455.515 2.679 20 5 JFBDRO Cc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)cc1[N+](=O)[O-] ZINC001164713977 720191709 /nfs/dbraw/zinc/19/17/09/720191709.db2.gz FIWNEODGKRWTEH-QFIPXVFZSA-N 1 0 478.557 2.705 20 5 JFBDRO 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 720511012 /nfs/dbraw/zinc/51/10/12/720511012.db2.gz RNDFKPLXGLDHCI-OWCLPIDISA-N 1 0 477.953 2.789 20 5 JFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742144 720819606 /nfs/dbraw/zinc/81/96/06/720819606.db2.gz PYWRKGLJWDZFDE-MELADBBJSA-N 1 0 453.334 2.663 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740014 720831958 /nfs/dbraw/zinc/83/19/58/720831958.db2.gz BNPZACZKHFFIMT-QLFBSQMISA-N 1 0 464.983 2.731 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740017 720833039 /nfs/dbraw/zinc/83/30/39/720833039.db2.gz BNPZACZKHFFIMT-SOUVJXGZSA-N 1 0 464.983 2.731 20 5 JFBDRO COC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164753462 720881627 /nfs/dbraw/zinc/88/16/27/720881627.db2.gz PNJODBWBXVNGJU-BWKNWUBXSA-N 1 0 481.553 2.927 20 5 JFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164751440 720935081 /nfs/dbraw/zinc/93/50/81/720935081.db2.gz MLIKSAJUQLGUKD-BWKNWUBXSA-N 1 0 495.584 2.802 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889777 721387793 /nfs/dbraw/zinc/38/77/93/721387793.db2.gz MHQTXGWASSUGNC-IFXJQAMLSA-N 1 0 457.000 2.526 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164885587 721398217 /nfs/dbraw/zinc/39/82/17/721398217.db2.gz CQHFPAGNANRRQO-HTAPYJJXSA-N 1 0 460.966 2.957 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164891163 721416726 /nfs/dbraw/zinc/41/67/26/721416726.db2.gz VKADASGTHUENKA-LIRRHRJNSA-N 1 0 457.000 2.526 20 5 JFBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])CC2 ZINC001164786486 721473918 /nfs/dbraw/zinc/47/39/18/721473918.db2.gz BLPKNXAUJVRJRH-SFHVURJKSA-N 1 0 462.547 2.510 20 5 JFBDRO CCOC(=O)c1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164896923 721513754 /nfs/dbraw/zinc/51/37/54/721513754.db2.gz CKQLNHIITVKWDC-ZFWWWQNUSA-N 1 0 465.869 2.696 20 5 JFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911844 721735831 /nfs/dbraw/zinc/73/58/31/721735831.db2.gz KZNGJDVMTBKHKJ-HXUWFJFHSA-N 1 0 461.473 2.784 20 5 JFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164932005 721884719 /nfs/dbraw/zinc/88/47/19/721884719.db2.gz HESVBSQHWCMIGJ-IAGOWNOFSA-N 1 0 470.603 2.676 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979090 722103044 /nfs/dbraw/zinc/10/30/44/722103044.db2.gz HBRAVORSHKFZCF-FUHWJXTLSA-N 1 0 475.933 2.942 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164982602 722123259 /nfs/dbraw/zinc/12/32/59/722123259.db2.gz XIHATSYPFJCXRV-HUUCEWRRSA-N 1 0 450.952 2.882 20 5 JFBDRO C[C@H]1C[C@H](N(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001265280182 1059815738 /nfs/dbraw/zinc/81/57/38/1059815738.db2.gz VKXSCJHXTWTFJL-FUHWJXTLSA-N 1 0 450.495 2.702 20 5 JFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC001265395807 1059842658 /nfs/dbraw/zinc/84/26/58/1059842658.db2.gz ILYCMSWLHDNZST-IBGZPJMESA-N 1 0 452.511 2.691 20 5 JFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC001265395808 1059842731 /nfs/dbraw/zinc/84/27/31/1059842731.db2.gz ILYCMSWLHDNZST-LJQANCHMSA-N 1 0 452.511 2.691 20 5 JFBDRO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001286932318 1061561445 /nfs/dbraw/zinc/56/14/45/1061561445.db2.gz RZKCTXJHEZDCBA-SFHVURJKSA-N 1 0 469.590 2.938 20 5 JFBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC001294101281 1061581673 /nfs/dbraw/zinc/58/16/73/1061581673.db2.gz ZIOAKLRPOWJUEM-UHFFFAOYSA-N 1 0 454.483 2.878 20 5 JFBDRO CCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001294225993 1061738000 /nfs/dbraw/zinc/73/80/00/1061738000.db2.gz LAXUOBCKHSHUNU-IBGZPJMESA-N 1 0 457.579 2.749 20 5 JFBDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001294648581 1062187966 /nfs/dbraw/zinc/18/79/66/1062187966.db2.gz KGRBVZCRMSTUNY-UXHICEINSA-N 1 0 469.590 2.938 20 5 JFBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)CC2)cc1 ZINC001290505753 1062302377 /nfs/dbraw/zinc/30/23/77/1062302377.db2.gz MBCJUTJIEBMVJI-UHFFFAOYSA-N 1 0 450.499 2.591 20 5 JFBDRO CC(C)C(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001287120619 1062364224 /nfs/dbraw/zinc/36/42/24/1062364224.db2.gz QDFALNSOIIELQM-UHFFFAOYSA-N 1 0 457.579 2.935 20 5 JFBDRO CCCNC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001294842621 1062537634 /nfs/dbraw/zinc/53/76/34/1062537634.db2.gz PVOPNWKNAOPXHI-HXUWFJFHSA-N 1 0 455.563 2.834 20 5 JFBDRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001287162971 1062566314 /nfs/dbraw/zinc/56/63/14/1062566314.db2.gz PZVJBVIWBRUVOF-JOCHJYFZSA-N 1 0 480.573 2.679 20 5 JFBDRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001287162973 1062566459 /nfs/dbraw/zinc/56/64/59/1062566459.db2.gz PZVJBVIWBRUVOF-QFIPXVFZSA-N 1 0 480.573 2.679 20 5 JFBDRO CC(C)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287181544 1062606879 /nfs/dbraw/zinc/60/68/79/1062606879.db2.gz NCERIFAXIAWNAN-HXUWFJFHSA-N 1 0 457.579 2.889 20 5 JFBDRO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290742527 1062661483 /nfs/dbraw/zinc/66/14/83/1062661483.db2.gz BMAOPWGPDQQFOL-NRFANRHFSA-N 1 0 457.579 2.852 20 5 JFBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC001290789418 1062694124 /nfs/dbraw/zinc/69/41/24/1062694124.db2.gz WRLZWJSFJWTZJO-UHFFFAOYSA-N 1 0 450.495 2.905 20 5 JFBDRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001287334358 1062811626 /nfs/dbraw/zinc/81/16/26/1062811626.db2.gz RBNGFTDCUORWFV-IEBWSBKVSA-N 1 0 460.583 2.705 20 5 JFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)cc([N+](=O)[O-])c2)CC1 ZINC001287669841 1063034333 /nfs/dbraw/zinc/03/43/33/1063034333.db2.gz IANAURRVZKEXDT-GOSISDBHSA-N 1 0 459.591 2.984 20 5 JFBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001287736542 1063060541 /nfs/dbraw/zinc/06/05/41/1063060541.db2.gz BBWKOJJDUVRROU-OALUTQOASA-N 1 0 469.590 2.888 20 5 JFBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001287739472 1063062330 /nfs/dbraw/zinc/06/23/30/1063062330.db2.gz RSVSQFJCQXWGBG-RBUKOAKNSA-N 1 0 469.590 2.888 20 5 JFBDRO C[C@H]1CCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001291136113 1063189666 /nfs/dbraw/zinc/18/96/66/1063189666.db2.gz PZQYDSKLHZXPAB-SFHVURJKSA-N 1 0 455.563 2.586 20 5 JFBDRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001295377147 1063347082 /nfs/dbraw/zinc/34/70/82/1063347082.db2.gz SFTIPGAPBSPVFO-ZWKOTPCHSA-N 1 0 460.583 2.849 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001295378066 1063347534 /nfs/dbraw/zinc/34/75/34/1063347534.db2.gz XNWAACOLSSQDEX-UTKZUKDTSA-N 1 0 485.589 2.916 20 5 JFBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(O)CC2)C[C@H](C(F)(F)F)O1 ZINC001291215344 1063424969 /nfs/dbraw/zinc/42/49/69/1063424969.db2.gz NJHROKBSHVWPMT-HNAYVOBHSA-N 1 0 498.506 2.856 20 5 JFBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCOCC2)C1 ZINC001295505405 1063541341 /nfs/dbraw/zinc/54/13/41/1063541341.db2.gz DGGBTZZSWIYLGS-SFHVURJKSA-N 1 0 458.563 2.563 20 5 JFBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCOCC2)C1 ZINC001295527160 1063564862 /nfs/dbraw/zinc/56/48/62/1063564862.db2.gz FOPROKRNJXSWJB-UHFFFAOYSA-N 1 0 458.563 2.971 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001295560322 1063593377 /nfs/dbraw/zinc/59/33/77/1063593377.db2.gz LLONLAJHRZLHRC-GOSISDBHSA-N 1 0 467.578 2.644 20 5 JFBDRO C[C@@H]1C[N@H+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCc2cnccn2)CCCO1 ZINC001291288967 1063654039 /nfs/dbraw/zinc/65/40/39/1063654039.db2.gz BLJVCNKTHMFSIT-LJQANCHMSA-N 1 0 480.573 2.823 20 5 JFBDRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001296034268 1064093145 /nfs/dbraw/zinc/09/31/45/1064093145.db2.gz SOHXXQUITKGLMO-LJQANCHMSA-N 1 0 478.557 2.854 20 5 JFBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001296059969 1064123983 /nfs/dbraw/zinc/12/39/83/1064123983.db2.gz LTMAAGDQTNHSHG-SJLPKXTDSA-N 1 0 495.506 2.842 20 5 JFBDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291762506 1064243323 /nfs/dbraw/zinc/24/33/23/1064243323.db2.gz TXOBLUNYJJCDKH-MRXNPFEDSA-N 1 0 464.592 2.597 20 5 JFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001296182247 1064322368 /nfs/dbraw/zinc/32/23/68/1064322368.db2.gz ATRHBNOPBBDALM-UHFFFAOYSA-N 1 0 451.955 2.696 20 5 JFBDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cnccn2)CC1 ZINC001296184599 1064332105 /nfs/dbraw/zinc/33/21/05/1064332105.db2.gz LRVWECRIHPBUMM-IBGZPJMESA-N 1 0 479.589 2.553 20 5 JFBDRO CCNC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001296306480 1064585398 /nfs/dbraw/zinc/58/53/98/1064585398.db2.gz JSSLUJHRURCHIC-IBGZPJMESA-N 1 0 484.605 2.827 20 5 JFBDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292115638 1064833633 /nfs/dbraw/zinc/83/36/33/1064833633.db2.gz KHUIXDIIWDYYQE-LJQANCHMSA-N 1 0 498.632 2.773 20 5 JFBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC001293540959 1066060512 /nfs/dbraw/zinc/06/05/12/1066060512.db2.gz RTDCLIHGNSORRI-PXNSSMCTSA-N 1 0 458.563 2.968 20 5 JFBDRO O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001293745494 1066215652 /nfs/dbraw/zinc/21/56/52/1066215652.db2.gz LTBUMLWQHWYTCL-QGZVFWFLSA-N 1 0 459.524 2.920 20 5 JFBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)cc1 ZINC001164423841 718919204 /nfs/dbraw/zinc/91/92/04/718919204.db2.gz KBDMWYUOSROEMV-IBGZPJMESA-N 1 0 469.876 2.835 20 5 JFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680438 719665746 /nfs/dbraw/zinc/66/57/46/719665746.db2.gz DXTAVDZRWGCUQF-SFHVURJKSA-N 1 0 452.559 2.787 20 5 JFBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)CC2 ZINC001164712960 720099593 /nfs/dbraw/zinc/09/95/93/720099593.db2.gz ZCYUXGQGSFGJNM-LJQANCHMSA-N 1 0 455.515 2.679 20 5 JFBDRO Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164718240 720199767 /nfs/dbraw/zinc/19/97/67/720199767.db2.gz YYWZCUDNOXMLAP-NRFANRHFSA-N 1 0 478.557 2.705 20 5 JFBDRO Cn1nnc2c1CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164719731 720206643 /nfs/dbraw/zinc/20/66/43/720206643.db2.gz STSLSLKDODGJFH-SFHVURJKSA-N 1 0 472.937 2.536 20 5 JFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CCC2 ZINC001164816924 720247453 /nfs/dbraw/zinc/24/74/53/720247453.db2.gz NXNLIJUBNOJTHG-UHFFFAOYSA-N 1 0 457.922 2.999 20 5 JFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164752067 720794567 /nfs/dbraw/zinc/79/45/67/720794567.db2.gz YMZGPJGHJUCGPG-CVEARBPZSA-N 1 0 453.890 2.837 20 5 JFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)ccc1Cl ZINC001164752068 720795104 /nfs/dbraw/zinc/79/51/04/720795104.db2.gz YMZGPJGHJUCGPG-HOTGVXAUSA-N 1 0 453.890 2.837 20 5 JFBDRO COc1ncnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755668 720889646 /nfs/dbraw/zinc/88/96/46/720889646.db2.gz MKVXIJRONZIUFE-CVDCTZTESA-N 1 0 454.531 2.544 20 5 JFBDRO COC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755702 720894406 /nfs/dbraw/zinc/89/44/06/720894406.db2.gz MTBHDOZDCJLRQG-NLFFAJNJSA-N 1 0 481.553 2.927 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)O2)CC1 ZINC001164893543 721384187 /nfs/dbraw/zinc/38/41/87/721384187.db2.gz VABHXQPPDPQJRP-LPHOPBHVSA-N 1 0 459.925 2.954 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164893095 721435436 /nfs/dbraw/zinc/43/54/36/721435436.db2.gz IZSCUIMWJOJJFW-UGSOOPFHSA-N 1 0 478.903 2.822 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899072 721444078 /nfs/dbraw/zinc/44/40/78/721444078.db2.gz XVENKFSATYXVQQ-DVECYGJZSA-N 1 0 470.549 2.956 20 5 JFBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164787518 721460853 /nfs/dbraw/zinc/46/08/53/721460853.db2.gz RDVBGTMNHZFMCH-QGZVFWFLSA-N 1 0 454.955 2.616 20 5 JFBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164787515 721460902 /nfs/dbraw/zinc/46/09/02/721460902.db2.gz RDVBGTMNHZFMCH-KRWDZBQOSA-N 1 0 454.955 2.616 20 5 JFBDRO CCOC(=O)c1ccnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1[N+](=O)[O-] ZINC001164786820 721470997 /nfs/dbraw/zinc/47/09/97/721470997.db2.gz CIIDGQGDKZUHCV-LJQANCHMSA-N 1 0 476.574 2.900 20 5 JFBDRO COc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164975079 722120011 /nfs/dbraw/zinc/12/00/11/722120011.db2.gz JGLHQHJJOIUNOI-VGSWGCGISA-N 1 0 450.499 2.669 20 5 JFBDRO CSc1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164982601 722122974 /nfs/dbraw/zinc/12/29/74/722122974.db2.gz XIHATSYPFJCXRV-GJZGRUSLSA-N 1 0 450.952 2.882 20 5 JFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC001265127835 1059774547 /nfs/dbraw/zinc/77/45/47/1059774547.db2.gz FFVHTRAQSNQFNU-IKGGRYGDSA-N 1 0 452.577 2.514 20 5 JFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001265557023 1059885946 /nfs/dbraw/zinc/88/59/46/1059885946.db2.gz NIIKZTIDNNDYED-QFBILLFUSA-N 1 0 450.495 2.889 20 5 JFBDRO CC(=O)N1CCN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccs3)cc2[N+](=O)[O-])CC1 ZINC001265755852 1059921819 /nfs/dbraw/zinc/92/18/19/1059921819.db2.gz LRNRNBPWGSKOFA-UHFFFAOYSA-N 1 0 459.572 2.529 20 5 JFBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001294216857 1061725850 /nfs/dbraw/zinc/72/58/50/1061725850.db2.gz JBCXRMWZKSHJLC-DEOSSOPVSA-N 1 0 471.606 2.886 20 5 JFBDRO CCC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001294647934 1062185714 /nfs/dbraw/zinc/18/57/14/1062185714.db2.gz HMMGXUVBJRICJN-HXUWFJFHSA-N 1 0 476.603 2.599 20 5 JFBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001294676382 1062237932 /nfs/dbraw/zinc/23/79/32/1062237932.db2.gz BQVXLQIXDUZKFU-QGZVFWFLSA-N 1 0 476.603 2.599 20 5 JFBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001294676381 1062238000 /nfs/dbraw/zinc/23/80/00/1062238000.db2.gz BQVXLQIXDUZKFU-KRWDZBQOSA-N 1 0 476.603 2.599 20 5 JFBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294701435 1062267280 /nfs/dbraw/zinc/26/72/80/1062267280.db2.gz ZXQZYRDCWITGKC-AZUAARDMSA-N 1 0 455.563 2.820 20 5 JFBDRO CC(C)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001287113840 1062334221 /nfs/dbraw/zinc/33/42/21/1062334221.db2.gz OQGRQSPWIJFEBH-GOSISDBHSA-N 1 0 455.563 2.642 20 5 JFBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287216415 1062691627 /nfs/dbraw/zinc/69/16/27/1062691627.db2.gz DOKDQDRHBQDYKC-UHFFFAOYSA-N 1 0 484.649 2.910 20 5 JFBDRO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC001287329009 1062804499 /nfs/dbraw/zinc/80/44/99/1062804499.db2.gz QPABNIBSDPYSTJ-HXUWFJFHSA-N 1 0 481.605 2.890 20 5 JFBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001295071546 1062893617 /nfs/dbraw/zinc/89/36/17/1062893617.db2.gz FCROTNQZTAITHP-VGOFRKELSA-N 1 0 454.575 2.554 20 5 JFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3cc(C4CCOCC4)nn3C)cc([N+](=O)[O-])c2)CC1 ZINC001287675037 1063035664 /nfs/dbraw/zinc/03/56/64/1063035664.db2.gz VDRKMDUFJVPZIV-UHFFFAOYSA-N 1 0 456.547 2.641 20 5 JFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105486 1063087903 /nfs/dbraw/zinc/08/79/03/1063087903.db2.gz JUTBWQYHBHXCPV-ZHALLVOQSA-N 1 0 455.563 2.675 20 5 JFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106084 1063091408 /nfs/dbraw/zinc/09/14/08/1063091408.db2.gz RJFBTAFFBRMXQM-KZNAEPCWSA-N 1 0 455.563 2.641 20 5 JFBDRO CC1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001291181831 1063276196 /nfs/dbraw/zinc/27/61/96/1063276196.db2.gz ULXOZWNLGMLABD-LJQANCHMSA-N 1 0 455.563 2.677 20 5 JFBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001295527567 1063565246 /nfs/dbraw/zinc/56/52/46/1063565246.db2.gz JVMNDTYDEGYOCN-MBSDFSHPSA-N 1 0 458.563 2.969 20 5 JFBDRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001296031091 1064089119 /nfs/dbraw/zinc/08/91/19/1064089119.db2.gz PTKKRFJYFIAYJQ-QGZVFWFLSA-N 1 0 455.563 2.835 20 5 JFBDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001296037227 1064097229 /nfs/dbraw/zinc/09/72/29/1064097229.db2.gz LSACHSJXWRZYOR-AZUAARDMSA-N 1 0 469.590 2.936 20 5 JFBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001296059358 1064122247 /nfs/dbraw/zinc/12/22/47/1064122247.db2.gz CWESEUSNBBOYFR-NHCUHLMSSA-N 1 0 458.563 2.968 20 5 JFBDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296184325 1064331704 /nfs/dbraw/zinc/33/17/04/1064331704.db2.gz JQBHYWHMPDLRES-UGKGYDQZSA-N 1 0 471.606 2.742 20 5 JFBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296184319 1064331729 /nfs/dbraw/zinc/33/17/29/1064331729.db2.gz JQBHYWHMPDLRES-DENIHFKCSA-N 1 0 471.606 2.742 20 5 JFBDRO CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001292186557 1064978336 /nfs/dbraw/zinc/97/83/36/1064978336.db2.gz SCPHMGCIJGLUOY-YQVWRLOYSA-N 1 0 478.619 2.986 20 5 JFBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001293359132 1065963451 /nfs/dbraw/zinc/96/34/51/1065963451.db2.gz LFMOFMSSOGFFCW-SFHVURJKSA-N 1 0 487.609 2.627 20 5 JFBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001293363114 1065967010 /nfs/dbraw/zinc/96/70/10/1065967010.db2.gz HFQLJLJKUOGRGI-MJGOQNOKSA-N 1 0 455.563 2.785 20 5 JFBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001293540904 1066059998 /nfs/dbraw/zinc/05/99/98/1066059998.db2.gz RKIUUYLBRRRHIN-CTNGQTDRSA-N 1 0 458.563 2.969 20 5 JFBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(F)cn2)CC[N@@H+]1CCOC ZINC001293542241 1066062229 /nfs/dbraw/zinc/06/22/29/1066062229.db2.gz ZEWFZRBAPVCQPL-HXUWFJFHSA-N 1 0 469.521 2.983 20 5 JFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001293691837 1066175467 /nfs/dbraw/zinc/17/54/67/1066175467.db2.gz YSYJEMNVWHYGNP-UHFFFAOYSA-N 1 0 457.487 2.714 20 5 JFBDRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164432391 718968086 /nfs/dbraw/zinc/96/80/86/718968086.db2.gz HCVHJJOCDRVPPJ-ZIAGYGMSSA-N 1 0 458.771 2.710 20 5 JFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680432 719665762 /nfs/dbraw/zinc/66/57/62/719665762.db2.gz DXTAVDZRWGCUQF-GOSISDBHSA-N 1 0 452.559 2.787 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164680478 719670011 /nfs/dbraw/zinc/67/00/11/719670011.db2.gz GDTNVJHSEYYZJP-KRWDZBQOSA-N 1 0 487.988 2.975 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc([N+](=O)[O-])cc3N)CC2)c2ccccc21 ZINC001164683019 719676509 /nfs/dbraw/zinc/67/65/09/719676509.db2.gz QMWQKLDQIVYGRX-QGZVFWFLSA-N 1 0 452.559 2.665 20 5 JFBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164711065 720104993 /nfs/dbraw/zinc/10/49/93/720104993.db2.gz NUOOZZYZLBPKAV-INIZCTEOSA-N 1 0 490.948 2.727 20 5 JFBDRO Cn1nnc2c1CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]2COCC[NH+]1CCCC1 ZINC001164718214 720179733 /nfs/dbraw/zinc/17/97/33/720179733.db2.gz NPXWQPUXNXLGQD-AWEZNQCLSA-N 1 0 456.334 2.641 20 5 JFBDRO Cn1nnc2c1CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718229 720201883 /nfs/dbraw/zinc/20/18/83/720201883.db2.gz YPVQKQGLKFHZDE-OAQYLSRUSA-N 1 0 482.520 2.536 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164812112 720213192 /nfs/dbraw/zinc/21/31/92/720213192.db2.gz KTFPJOVXADTKON-UHFFFAOYSA-N 1 0 453.956 2.567 20 5 JFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CCC2 ZINC001164815602 720241887 /nfs/dbraw/zinc/24/18/87/720241887.db2.gz CURBNKLINCYIMK-UHFFFAOYSA-N 1 0 467.505 2.998 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001164822738 720337255 /nfs/dbraw/zinc/33/72/55/720337255.db2.gz DYQBRSUNDDXBED-FGZHOGPDSA-N 1 0 450.543 2.963 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752816 720813965 /nfs/dbraw/zinc/81/39/65/720813965.db2.gz ZYYBTQFELOFESL-JFIYKMOQSA-N 1 0 489.964 2.791 20 5 JFBDRO COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164757435 720888855 /nfs/dbraw/zinc/88/88/55/720888855.db2.gz URQQEHWODSXNJJ-CYFREDJKSA-N 1 0 484.557 2.552 20 5 JFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758783 720889524 /nfs/dbraw/zinc/88/95/24/720889524.db2.gz ZKSOPTBTRYGMAH-GBXCKJPGSA-N 1 0 468.558 2.852 20 5 JFBDRO COC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755700 720894637 /nfs/dbraw/zinc/89/46/37/720894637.db2.gz MTBHDOZDCJLRQG-CPJSRVTESA-N 1 0 481.553 2.927 20 5 JFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164751448 720934572 /nfs/dbraw/zinc/93/45/72/720934572.db2.gz MLIKSAJUQLGUKD-PXDATVDWSA-N 1 0 495.584 2.802 20 5 JFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754258 720938289 /nfs/dbraw/zinc/93/82/89/720938289.db2.gz VOYWKBYTPQUFNF-CJFMBICVSA-N 1 0 481.553 2.927 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)O2)CC1 ZINC001164894064 721395828 /nfs/dbraw/zinc/39/58/28/721395828.db2.gz XBFYOKNFBAZWHA-HNAYVOBHSA-N 1 0 459.925 2.954 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886245 721398727 /nfs/dbraw/zinc/39/87/27/721398727.db2.gz DSBNEBNKYFVOOP-KSFYIVLOSA-N 1 0 460.966 2.957 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164889618 721452479 /nfs/dbraw/zinc/45/24/79/721452479.db2.gz OJYMRGAPFSBUFG-JTSKRJEESA-N 1 0 460.966 2.957 20 5 JFBDRO CCOC(=O)c1ccnc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1[N+](=O)[O-] ZINC001164786817 721470606 /nfs/dbraw/zinc/47/06/06/721470606.db2.gz CIIDGQGDKZUHCV-IBGZPJMESA-N 1 0 476.574 2.900 20 5 JFBDRO CCc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164796109 721519786 /nfs/dbraw/zinc/51/97/86/721519786.db2.gz VPPCKCJCCKDZTO-UHFFFAOYSA-N 1 0 462.558 2.578 20 5 JFBDRO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1[N+](=O)[O-] ZINC001164959987 722061496 /nfs/dbraw/zinc/06/14/96/722061496.db2.gz BOVZBLZTAPNZHB-UHFFFAOYSA-N 1 0 455.515 2.681 20 5 JFBDRO COc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164975075 722119712 /nfs/dbraw/zinc/11/97/12/722119712.db2.gz JGLHQHJJOIUNOI-JTSKRJEESA-N 1 0 450.499 2.669 20 5 JFBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 ZINC001264571968 1059616506 /nfs/dbraw/zinc/61/65/06/1059616506.db2.gz KCDIKPFPLUPLTL-NRFANRHFSA-N 1 0 453.499 2.798 20 5 JFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC001265486046 1059871263 /nfs/dbraw/zinc/87/12/63/1059871263.db2.gz XTYDJLNBBVJBCL-INIZCTEOSA-N 1 0 456.455 2.868 20 5 JFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001265557021 1059885354 /nfs/dbraw/zinc/88/53/54/1059885354.db2.gz NIIKZTIDNNDYED-APWZRJJASA-N 1 0 450.495 2.889 20 5 JFBDRO Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(=O)n1C ZINC001289665676 1061287932 /nfs/dbraw/zinc/28/79/32/1061287932.db2.gz OZOYFQZXWYDUSX-UHFFFAOYSA-N 1 0 465.558 2.829 20 5 JFBDRO 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 1061523865 /nfs/dbraw/zinc/52/38/65/1061523865.db2.gz MFYJEQYJVDFXGA-PWIZWCRZSA-N 1 0 459.524 2.741 20 5 JFBDRO 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 1061523953 /nfs/dbraw/zinc/52/39/53/1061523953.db2.gz MFYJEQYJVDFXGA-NSISKUIASA-N 1 0 459.524 2.741 20 5 JFBDRO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001286932309 1061561604 /nfs/dbraw/zinc/56/16/04/1061561604.db2.gz RRZXHBZXYWHRDM-OAQYLSRUSA-N 1 0 455.563 2.546 20 5 JFBDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286973193 1061759036 /nfs/dbraw/zinc/75/90/36/1061759036.db2.gz NDBBBMQFUPYOPD-ZOCZFRKYSA-N 1 0 496.659 2.548 20 5 JFBDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C1CCCC1 ZINC001286973403 1061760515 /nfs/dbraw/zinc/76/05/15/1061760515.db2.gz QPXCNSWVLWQWBF-IAGOWNOFSA-N 1 0 478.619 2.986 20 5 JFBDRO CC(C)[NH+]1CCN(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC001290121270 1061851896 /nfs/dbraw/zinc/85/18/96/1061851896.db2.gz ITGUCGAFFKHFNS-UHFFFAOYSA-N 1 0 457.497 2.678 20 5 JFBDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC2CC2)CC1 ZINC001287039439 1062006039 /nfs/dbraw/zinc/00/60/39/1062006039.db2.gz GDVFSLLXQCCMHF-UHFFFAOYSA-N 1 0 469.590 2.938 20 5 JFBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294700519 1062266044 /nfs/dbraw/zinc/26/60/44/1062266044.db2.gz TYJVVSQMNKJCEF-PXNSSMCTSA-N 1 0 455.563 2.785 20 5 JFBDRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CCC[NH+]2CCC(O)CC2)n1 ZINC001290599487 1062428072 /nfs/dbraw/zinc/42/80/72/1062428072.db2.gz IMPAKNLBYKUCHN-UHFFFAOYSA-N 1 0 482.589 2.531 20 5 JFBDRO CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001287160554 1062560698 /nfs/dbraw/zinc/56/06/98/1062560698.db2.gz SGBSZHCVHZKMBJ-TZIWHRDSSA-N 1 0 490.630 2.845 20 5 JFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001290847461 1062733772 /nfs/dbraw/zinc/73/37/72/1062733772.db2.gz OWXDOFGZMDGIAE-UHFFFAOYSA-N 1 0 454.453 2.679 20 5 JFBDRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC001287338815 1062815974 /nfs/dbraw/zinc/81/59/74/1062815974.db2.gz OAJGRWATVURRDQ-QFIPXVFZSA-N 1 0 498.632 2.612 20 5 JFBDRO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001295056717 1062861503 /nfs/dbraw/zinc/86/15/03/1062861503.db2.gz FLATWJBOWIENTP-KRWDZBQOSA-N 1 0 455.563 2.642 20 5 JFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291010506 1062909131 /nfs/dbraw/zinc/90/91/31/1062909131.db2.gz WCWFYYURZHTNEV-OALUTQOASA-N 1 0 490.630 2.846 20 5 JFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC001287633166 1063013242 /nfs/dbraw/zinc/01/32/42/1063013242.db2.gz RNZOMABIZWUEHA-UHFFFAOYSA-N 1 0 459.284 2.526 20 5 JFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3cc(Br)n(C)n3)cc([N+](=O)[O-])c2)CC1 ZINC001287673511 1063035264 /nfs/dbraw/zinc/03/52/64/1063035264.db2.gz BQZUUSRSCBFDRT-UHFFFAOYSA-N 1 0 451.325 2.509 20 5 JFBDRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1 ZINC001291096338 1063057847 /nfs/dbraw/zinc/05/78/47/1063057847.db2.gz CHQAMLUHBWZXFP-GOSISDBHSA-N 1 0 455.563 2.834 20 5 JFBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001287736543 1063060179 /nfs/dbraw/zinc/06/01/79/1063060179.db2.gz BBWKOJJDUVRROU-RBUKOAKNSA-N 1 0 469.590 2.888 20 5 JFBDRO CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCOCC2)[C@@H](C)C1=O ZINC001287750916 1063076022 /nfs/dbraw/zinc/07/60/22/1063076022.db2.gz OUSMGGNSSGNEKI-IBGZPJMESA-N 1 0 499.616 2.657 20 5 JFBDRO C[C@@H]1CCC[N@H+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001291125917 1063151283 /nfs/dbraw/zinc/15/12/83/1063151283.db2.gz DEHRCSPHSMTEHK-LJQANCHMSA-N 1 0 469.590 2.833 20 5 JFBDRO CC1CC[NH+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC001291183485 1063280200 /nfs/dbraw/zinc/28/02/00/1063280200.db2.gz UKTOEDHQLDPXAA-UHFFFAOYSA-N 1 0 469.590 2.833 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001295372382 1063338813 /nfs/dbraw/zinc/33/88/13/1063338813.db2.gz UBOWHKXTTJOTMT-GOSISDBHSA-N 1 0 465.562 2.700 20 5 JFBDRO CC(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001291215720 1063429458 /nfs/dbraw/zinc/42/94/58/1063429458.db2.gz UULUWFAOGNKSHL-NQIIRXRSSA-N 1 0 458.563 2.825 20 5 JFBDRO 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 1063431818 /nfs/dbraw/zinc/43/18/18/1063431818.db2.gz ZULWIERYEPPQSP-WIYYLYMNSA-N 1 0 499.616 2.800 20 5 JFBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001295527559 1063565443 /nfs/dbraw/zinc/56/54/43/1063565443.db2.gz JVMNDTYDEGYOCN-FDDCHVKYSA-N 1 0 458.563 2.969 20 5 JFBDRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001295532555 1063569275 /nfs/dbraw/zinc/56/92/75/1063569275.db2.gz HNRYBKPTDRPZOE-UHFFFAOYSA-N 1 0 467.578 2.645 20 5 JFBDRO C[C@@H]1CSCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291310948 1063741467 /nfs/dbraw/zinc/74/14/67/1063741467.db2.gz LOAPRJMQZOLWIW-YLJYHZDGSA-N 1 0 487.630 2.738 20 5 JFBDRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001291338426 1063808564 /nfs/dbraw/zinc/80/85/64/1063808564.db2.gz TUBLHIGEKWZOEO-IEBWSBKVSA-N 1 0 455.563 2.690 20 5 JFBDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001296036246 1064095796 /nfs/dbraw/zinc/09/57/96/1064095796.db2.gz HWZPQQQTBVGUNX-SFHVURJKSA-N 1 0 484.605 2.825 20 5 JFBDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001296059970 1064123988 /nfs/dbraw/zinc/12/39/88/1064123988.db2.gz LTMAAGDQTNHSHG-WMZOPIPTSA-N 1 0 495.506 2.842 20 5 JFBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001296088341 1064158125 /nfs/dbraw/zinc/15/81/25/1064158125.db2.gz KOECQRNEPRGVCE-XLIONFOSSA-N 1 0 455.563 2.820 20 5 JFBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001296088339 1064158171 /nfs/dbraw/zinc/15/81/71/1064158171.db2.gz KOECQRNEPRGVCE-PXNSSMCTSA-N 1 0 455.563 2.820 20 5 JFBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001296088343 1064158190 /nfs/dbraw/zinc/15/81/90/1064158190.db2.gz KOECQRNEPRGVCE-YLJYHZDGSA-N 1 0 455.563 2.820 20 5 JFBDRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001296131819 1064227498 /nfs/dbraw/zinc/22/74/98/1064227498.db2.gz NTNTZKPHZMAICZ-NRFANRHFSA-N 1 0 484.649 2.737 20 5 JFBDRO CC[C@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001291797681 1064307643 /nfs/dbraw/zinc/30/76/43/1064307643.db2.gz QUKFOGQLWPQTNY-PXNSSMCTSA-N 1 0 455.563 2.833 20 5 JFBDRO CC[C@@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001291797684 1064308077 /nfs/dbraw/zinc/30/80/77/1064308077.db2.gz QUKFOGQLWPQTNY-XLIONFOSSA-N 1 0 455.563 2.833 20 5 JFBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)CC1)[NH+]1CCOCC1 ZINC001291954005 1064566730 /nfs/dbraw/zinc/56/67/30/1064566730.db2.gz OZRUUBMSNHDNEY-HSZRJFAPSA-N 1 0 499.616 2.659 20 5 JFBDRO CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001292186574 1064978357 /nfs/dbraw/zinc/97/83/57/1064978357.db2.gz SCYUAOKBIYSEEG-SJLPKXTDSA-N 1 0 464.592 2.597 20 5 JFBDRO CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCCC1 ZINC001292187944 1064981016 /nfs/dbraw/zinc/98/10/16/1064981016.db2.gz ZBRNOFBDKOBMTE-LJQANCHMSA-N 1 0 455.563 2.786 20 5 JFBDRO C[NH+](C)C1CCN(C(=O)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC001293023481 1065696232 /nfs/dbraw/zinc/69/62/32/1065696232.db2.gz RMRWGYOIDZKYBB-HXUWFJFHSA-N 1 0 455.471 2.527 20 5 JFBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H](C)O1 ZINC001293540960 1066060353 /nfs/dbraw/zinc/06/03/53/1066060353.db2.gz RTDCLIHGNSORRI-XLIONFOSSA-N 1 0 458.563 2.968 20 5 JFBDRO CCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001293804527 1066314060 /nfs/dbraw/zinc/31/40/60/1066314060.db2.gz GJBGACKWAMBOJR-XMMPIXPASA-N 1 0 472.590 2.953 20 5 JFBDRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001293861541 1066370305 /nfs/dbraw/zinc/37/03/05/1066370305.db2.gz UGYFLVNRMUZXIY-UHFFFAOYSA-N 1 0 459.591 2.968 20 5 JFBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)c(Cl)nn1 ZINC001164423538 718918882 /nfs/dbraw/zinc/91/88/82/718918882.db2.gz IJPFXUNZQHKHGD-LJQANCHMSA-N 1 0 469.876 2.835 20 5 JFBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)cc1 ZINC001164423842 718919172 /nfs/dbraw/zinc/91/91/72/718919172.db2.gz KBDMWYUOSROEMV-LJQANCHMSA-N 1 0 469.876 2.835 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164619268 719020003 /nfs/dbraw/zinc/02/00/03/719020003.db2.gz VIPWSNGMVIKPFZ-GOPGUHFVSA-N 1 0 467.860 2.980 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164619274 719020288 /nfs/dbraw/zinc/02/02/88/719020288.db2.gz VIPWSNGMVIKPFZ-ZTFRIQLXSA-N 1 0 467.860 2.980 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc([N+](=O)[O-])cc3N)CC2)c2ccccc21 ZINC001164683012 719676220 /nfs/dbraw/zinc/67/62/20/719676220.db2.gz QMWQKLDQIVYGRX-KRWDZBQOSA-N 1 0 452.559 2.665 20 5 JFBDRO Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC001164687108 719681674 /nfs/dbraw/zinc/68/16/74/719681674.db2.gz PTVXLNPPLNZPOM-SFHVURJKSA-N 1 0 452.559 2.787 20 5 JFBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cn3cnc([N+](=O)[O-])c3)nc3sc(C)c(C)c31)CC2 ZINC001164690213 719748846 /nfs/dbraw/zinc/74/88/46/719748846.db2.gz VDPSNOPNJNKJEN-UHFFFAOYSA-N 1 0 498.613 2.642 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001164822735 720337387 /nfs/dbraw/zinc/33/73/87/720337387.db2.gz DYQBRSUNDDXBED-FCHUYYIVSA-N 1 0 450.543 2.963 20 5 JFBDRO 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 720510942 /nfs/dbraw/zinc/51/09/42/720510942.db2.gz RNDFKPLXGLDHCI-BZUAXINKSA-N 1 0 477.953 2.789 20 5 JFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748057 720874351 /nfs/dbraw/zinc/87/43/51/720874351.db2.gz DOMRYSBVBVZFJS-CPJSRVTESA-N 1 0 481.553 2.927 20 5 JFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754261 720937632 /nfs/dbraw/zinc/93/76/32/720937632.db2.gz VOYWKBYTPQUFNF-NLFFAJNJSA-N 1 0 481.553 2.927 20 5 JFBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164754164 720969742 /nfs/dbraw/zinc/96/97/42/720969742.db2.gz NWSJJQMUEZGELP-UHFFFAOYSA-N 1 0 454.462 2.638 20 5 JFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880437 721148236 /nfs/dbraw/zinc/14/82/36/721148236.db2.gz WRJDFEFLPMFSQR-STQMWFEESA-N 1 0 458.828 2.932 20 5 JFBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886248 721398530 /nfs/dbraw/zinc/39/85/30/721398530.db2.gz DSBNEBNKYFVOOP-OPAMFIHVSA-N 1 0 460.966 2.957 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C3)O2)CC1 ZINC001164888744 721441067 /nfs/dbraw/zinc/44/10/67/721441067.db2.gz APCJSCKLKQSCGN-YADARESESA-N 1 0 452.559 2.817 20 5 JFBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899056 721444257 /nfs/dbraw/zinc/44/42/57/721444257.db2.gz XVENKFSATYXVQQ-CYFREDJKSA-N 1 0 470.549 2.956 20 5 JFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788560 721463245 /nfs/dbraw/zinc/46/32/45/721463245.db2.gz UAAAFNKHETYLLI-HXUWFJFHSA-N 1 0 476.574 2.900 20 5 JFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1C ZINC001165043642 721922513 /nfs/dbraw/zinc/92/25/13/721922513.db2.gz OJZFSLWVKAITKG-MRXNPFEDSA-N 1 0 457.560 2.762 20 5 JFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164941779 721932950 /nfs/dbraw/zinc/93/29/50/721932950.db2.gz IYUSCFJFMXFNOD-UHFFFAOYSA-N 1 0 454.531 2.831 20 5 JFBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 ZINC001264571969 1059616486 /nfs/dbraw/zinc/61/64/86/1059616486.db2.gz KCDIKPFPLUPLTL-OAQYLSRUSA-N 1 0 453.499 2.798 20 5 JFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC001264984589 1059745537 /nfs/dbraw/zinc/74/55/37/1059745537.db2.gz RLUOZZJQNQBOSN-UHFFFAOYSA-N 1 0 450.417 2.763 20 5 JFBDRO CN(C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001265246585 1059804583 /nfs/dbraw/zinc/80/45/83/1059804583.db2.gz AUXGCSKISCKNMN-KRWDZBQOSA-N 1 0 454.483 2.785 20 5 JFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC001265486047 1059871113 /nfs/dbraw/zinc/87/11/13/1059871113.db2.gz XTYDJLNBBVJBCL-MRXNPFEDSA-N 1 0 456.455 2.868 20 5 JFBDRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCOC(C)C)C[C@H]2C)CC1 ZINC001286872531 1061278547 /nfs/dbraw/zinc/27/85/47/1061278547.db2.gz VZIUSEXOBPPGLM-XXBNENTESA-N 1 0 499.616 2.657 20 5 JFBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001294216858 1061725612 /nfs/dbraw/zinc/72/56/12/1061725612.db2.gz JBCXRMWZKSHJLC-XMMPIXPASA-N 1 0 471.606 2.886 20 5 JFBDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286973190 1061758988 /nfs/dbraw/zinc/75/89/88/1061758988.db2.gz NDBBBMQFUPYOPD-VWKPWSFCSA-N 1 0 496.659 2.548 20 5 JFBDRO CC(C)(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CCC[NH+]1CCCC1 ZINC001287033730 1061992930 /nfs/dbraw/zinc/99/29/30/1061992930.db2.gz JUCBMJWSMAJXLK-UHFFFAOYSA-N 1 0 456.595 2.982 20 5 JFBDRO CC(C)(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001287034083 1061994156 /nfs/dbraw/zinc/99/41/56/1061994156.db2.gz PDYQDXPQKJOHIC-UHFFFAOYSA-N 1 0 454.579 2.758 20 5 JFBDRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)c2ccco2)CC1 ZINC001287043260 1062014477 /nfs/dbraw/zinc/01/44/77/1062014477.db2.gz VWTBNFPDSDJZKQ-UHFFFAOYSA-N 1 0 467.530 2.797 20 5 JFBDRO CCC[N@H+](CC)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001294507844 1062045282 /nfs/dbraw/zinc/04/52/82/1062045282.db2.gz VNZPBDBLBZUJAY-UHFFFAOYSA-N 1 0 457.535 2.664 20 5 JFBDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001294651816 1062198078 /nfs/dbraw/zinc/19/80/78/1062198078.db2.gz SYEVNKCBLSGRPY-SFHVURJKSA-N 1 0 452.563 2.998 20 5 JFBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294700523 1062266785 /nfs/dbraw/zinc/26/67/85/1062266785.db2.gz TYJVVSQMNKJCEF-YLJYHZDGSA-N 1 0 455.563 2.785 20 5 JFBDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCC2)CC1 ZINC001294818960 1062496423 /nfs/dbraw/zinc/49/64/23/1062496423.db2.gz ARJCAOMQMWTWEU-UHFFFAOYSA-N 1 0 455.563 2.692 20 5 JFBDRO 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 1062733588 /nfs/dbraw/zinc/73/35/88/1062733588.db2.gz QSBPHNODDDEZKX-GQIGUUNPSA-N 1 0 458.563 2.753 20 5 JFBDRO CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001287471757 1062920821 /nfs/dbraw/zinc/92/08/21/1062920821.db2.gz PEWGUBRKNBPUTJ-IBGZPJMESA-N 1 0 456.595 2.838 20 5 JFBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001295161376 1062983913 /nfs/dbraw/zinc/98/39/13/1062983913.db2.gz KZXHFPFXQFASSL-NQIIRXRSSA-N 1 0 490.630 2.987 20 5 JFBDRO CC1CCC([NH+]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(=O)NCC(F)F)CC2)CC1 ZINC001291061786 1062998909 /nfs/dbraw/zinc/99/89/09/1062998909.db2.gz YLOOAAKJJMHDGK-UHFFFAOYSA-N 1 0 491.543 2.935 20 5 JFBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001287736544 1063060120 /nfs/dbraw/zinc/06/01/20/1063060120.db2.gz BBWKOJJDUVRROU-RTBURBONSA-N 1 0 469.590 2.888 20 5 JFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106083 1063091453 /nfs/dbraw/zinc/09/14/53/1063091453.db2.gz RJFBTAFFBRMXQM-KURKYZTESA-N 1 0 455.563 2.641 20 5 JFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106085 1063091550 /nfs/dbraw/zinc/09/15/50/1063091550.db2.gz RJFBTAFFBRMXQM-SQNIBIBYSA-N 1 0 455.563 2.641 20 5 JFBDRO C[C@H]1CCC[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)CC2)C1 ZINC001291123633 1063139127 /nfs/dbraw/zinc/13/91/27/1063139127.db2.gz OCXBLQCXLMNXKP-SFHVURJKSA-N 1 0 455.563 2.692 20 5 JFBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001295369102 1063333826 /nfs/dbraw/zinc/33/38/26/1063333826.db2.gz ZTHFIMSMXGBSQU-KRWDZBQOSA-N 1 0 470.578 2.578 20 5 JFBDRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001295377146 1063346975 /nfs/dbraw/zinc/34/69/75/1063346975.db2.gz SFTIPGAPBSPVFO-ROUUACIJSA-N 1 0 460.583 2.849 20 5 JFBDRO CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291215719 1063429234 /nfs/dbraw/zinc/42/92/34/1063429234.db2.gz UULUWFAOGNKSHL-GHTZIAJQSA-N 1 0 458.563 2.825 20 5 JFBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCCO)CC[N@@H+](C2CCC2)C1 ZINC001291217123 1063437590 /nfs/dbraw/zinc/43/75/90/1063437590.db2.gz WHMGIXFYWOPUCA-SFHVURJKSA-N 1 0 458.563 2.563 20 5 JFBDRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001295532748 1063569727 /nfs/dbraw/zinc/56/97/27/1063569727.db2.gz KUOHOOGVNFZXEZ-UHFFFAOYSA-N 1 0 455.567 2.962 20 5 JFBDRO CC(C)c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291287419 1063638795 /nfs/dbraw/zinc/63/87/95/1063638795.db2.gz BEGHFKWQCHBNLX-QZTJIDSGSA-N 1 0 460.583 2.847 20 5 JFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)C(C)(C)C ZINC001291294900 1063692579 /nfs/dbraw/zinc/69/25/79/1063692579.db2.gz RBRXIGJZKCEJAC-LPHOPBHVSA-N 1 0 455.563 2.689 20 5 JFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)C(C)(C)C ZINC001291294901 1063692676 /nfs/dbraw/zinc/69/26/76/1063692676.db2.gz RBRXIGJZKCEJAC-QFBILLFUSA-N 1 0 455.563 2.689 20 5 JFBDRO C[C@H]1C[N@H+](CCCn2c(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295496 1063696447 /nfs/dbraw/zinc/69/64/47/1063696447.db2.gz ZSEMRSJKGHJHOO-IBGZPJMESA-N 1 0 486.621 2.706 20 5 JFBDRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001295875436 1063913565 /nfs/dbraw/zinc/91/35/65/1063913565.db2.gz SSLKIMXOAOAJCH-UHFFFAOYSA-N 1 0 496.659 2.552 20 5 JFBDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296037234 1064097622 /nfs/dbraw/zinc/09/76/22/1064097622.db2.gz LVSFBRFLQXGORR-KRWDZBQOSA-N 1 0 476.603 2.599 20 5 JFBDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001296059360 1064122274 /nfs/dbraw/zinc/12/22/74/1064122274.db2.gz CWESEUSNBBOYFR-SFTDATJTSA-N 1 0 458.563 2.968 20 5 JFBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001296076265 1064144474 /nfs/dbraw/zinc/14/44/74/1064144474.db2.gz UTOFJRJXIYJJFF-NRFANRHFSA-N 1 0 484.605 2.526 20 5 JFBDRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCC(n3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001296185612 1064333087 /nfs/dbraw/zinc/33/30/87/1064333087.db2.gz QARLMMOAJZWMSA-IBGZPJMESA-N 1 0 473.626 2.621 20 5 JFBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296186036 1064333713 /nfs/dbraw/zinc/33/37/13/1064333713.db2.gz SHOYGEINPHIPJS-AQNXPRMDSA-N 1 0 471.606 2.741 20 5 JFBDRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CCOCC1 ZINC001291950817 1064562024 /nfs/dbraw/zinc/56/20/24/1064562024.db2.gz CTKRLYHLCXHTJO-FQEVSTJZSA-N 1 0 460.583 2.670 20 5 JFBDRO CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001292186555 1064978247 /nfs/dbraw/zinc/97/82/47/1064978247.db2.gz SCPHMGCIJGLUOY-JENIJYKNSA-N 1 0 478.619 2.986 20 5 JFBDRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293220084 1065869333 /nfs/dbraw/zinc/86/93/33/1065869333.db2.gz QLRCPCRANBQBKR-XLIONFOSSA-N 1 0 455.563 2.689 20 5 JFBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001293363111 1065966979 /nfs/dbraw/zinc/96/69/79/1065966979.db2.gz HFQLJLJKUOGRGI-IEBWSBKVSA-N 1 0 455.563 2.785 20 5 JFBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC001293538585 1066055961 /nfs/dbraw/zinc/05/59/61/1066055961.db2.gz DMUHKRQFCZPFLE-SIKLNZKXSA-N 1 0 471.606 2.742 20 5 JFBDRO CNc1nccc(C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001293620431 1066137296 /nfs/dbraw/zinc/13/72/96/1066137296.db2.gz CVAVMEOOHDPOEY-UHFFFAOYSA-N 1 0 452.437 2.732 20 5 JFBDRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164434163 718969079 /nfs/dbraw/zinc/96/90/79/718969079.db2.gz PFDNYDDSZTUAPL-UONOGXRCSA-N 1 0 458.771 2.710 20 5 JFBDRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164434161 718969165 /nfs/dbraw/zinc/96/91/65/718969165.db2.gz PFDNYDDSZTUAPL-KBPBESRZSA-N 1 0 458.771 2.710 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001164615965 719019565 /nfs/dbraw/zinc/01/95/65/719019565.db2.gz KEOOVYCQHONFPH-AFAVFJNCSA-N 1 0 467.860 2.980 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001164614038 719019727 /nfs/dbraw/zinc/01/97/27/719019727.db2.gz BNMQDXJBJIDTJO-OAUYIBNBSA-N 1 0 467.860 2.980 20 5 JFBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164619272 719020083 /nfs/dbraw/zinc/02/00/83/719020083.db2.gz VIPWSNGMVIKPFZ-NVGVWMPQSA-N 1 0 467.860 2.980 20 5 JFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680802 719668953 /nfs/dbraw/zinc/66/89/53/719668953.db2.gz HQNVGFBWRTXOGT-SFHVURJKSA-N 1 0 482.585 2.795 20 5 JFBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164680482 719670052 /nfs/dbraw/zinc/67/00/52/719670052.db2.gz GDTNVJHSEYYZJP-QGZVFWFLSA-N 1 0 487.988 2.975 20 5 JFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680316 719673350 /nfs/dbraw/zinc/67/33/50/719673350.db2.gz CSXCMQLOFPWXIL-LJQANCHMSA-N 1 0 467.570 2.630 20 5 JFBDRO Cn1nnc2c1CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719729 720207276 /nfs/dbraw/zinc/20/72/76/720207276.db2.gz STSLSLKDODGJFH-GOSISDBHSA-N 1 0 472.937 2.536 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814670 720213484 /nfs/dbraw/zinc/21/34/84/720213484.db2.gz VYYKHBAYLJPZRK-UHFFFAOYSA-N 1 0 478.937 2.627 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826057 720297100 /nfs/dbraw/zinc/29/71/00/720297100.db2.gz VBRYKRJQLFXAKC-SJORKVTESA-N 1 0 479.965 2.731 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001164822743 720336878 /nfs/dbraw/zinc/33/68/78/720336878.db2.gz DYQBRSUNDDXBED-YADHBBJMSA-N 1 0 450.543 2.963 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001164829614 720339982 /nfs/dbraw/zinc/33/99/82/720339982.db2.gz STVRXJFEBYCYHA-CHWSQXEVSA-N 1 0 476.887 2.969 20 5 JFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001164830544 720344668 /nfs/dbraw/zinc/34/46/68/720344668.db2.gz VWUVJTUSHHOVSL-YADHBBJMSA-N 1 0 450.543 2.963 20 5 JFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1C ZINC001164734241 720529592 /nfs/dbraw/zinc/52/95/92/720529592.db2.gz OXPXWUBCCZERMR-INIZCTEOSA-N 1 0 481.586 2.856 20 5 JFBDRO COC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164753471 720881614 /nfs/dbraw/zinc/88/16/14/720881614.db2.gz PNJODBWBXVNGJU-SQJMNOBHSA-N 1 0 481.553 2.927 20 5 JFBDRO COC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164753468 720881633 /nfs/dbraw/zinc/88/16/33/720881633.db2.gz PNJODBWBXVNGJU-PXDATVDWSA-N 1 0 481.553 2.927 20 5 JFBDRO COc1ncnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164755667 720889789 /nfs/dbraw/zinc/88/97/89/720889789.db2.gz MKVXIJRONZIUFE-AUSIDOKSSA-N 1 0 454.531 2.544 20 5 JFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866573 721053154 /nfs/dbraw/zinc/05/31/54/721053154.db2.gz FQCGVLHIDVYPFY-JKSUJKDBSA-N 1 0 461.906 2.695 20 5 JFBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)CC2)C1 ZINC001164872463 721277808 /nfs/dbraw/zinc/27/78/08/721277808.db2.gz DNXSJHGFWCAZEY-UHFFFAOYSA-N 1 0 461.950 2.803 20 5 JFBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC2)C1 ZINC001164879675 721289610 /nfs/dbraw/zinc/28/96/10/721289610.db2.gz YXOYIUXGBFXGEC-UHFFFAOYSA-N 1 0 488.976 2.712 20 5 JFBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)C1 ZINC001164876617 721292823 /nfs/dbraw/zinc/29/28/23/721292823.db2.gz JYPVFVWJNAQMNX-UHFFFAOYSA-N 1 0 471.533 2.803 20 5 JFBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164789328 721462264 /nfs/dbraw/zinc/46/22/64/721462264.db2.gz WZGVVKZHOIWHKI-GOSISDBHSA-N 1 0 454.955 2.616 20 5 JFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984318 722103545 /nfs/dbraw/zinc/10/35/45/722103545.db2.gz SLVPEVHLXHTUKU-CABCVRRESA-N 1 0 450.952 2.882 20 5 JFBDRO COc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164975073 722120018 /nfs/dbraw/zinc/12/00/18/722120018.db2.gz JGLHQHJJOIUNOI-HTAPYJJXSA-N 1 0 450.499 2.669 20 5 JFBDRO C[C@@H]1C[C@@H](N(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001265280181 1059815829 /nfs/dbraw/zinc/81/58/29/1059815829.db2.gz VKXSCJHXTWTFJL-AEFFLSMTSA-N 1 0 450.495 2.702 20 5 JFBDRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCOC(C)C)C[C@@H]2C)CC1 ZINC001286872530 1061279014 /nfs/dbraw/zinc/27/90/14/1061279014.db2.gz VZIUSEXOBPPGLM-WMZHIEFXSA-N 1 0 499.616 2.657 20 5 JFBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001294216954 1061726678 /nfs/dbraw/zinc/72/66/78/1061726678.db2.gz MDCJRHAXIWIVAS-UXHICEINSA-N 1 0 455.563 2.833 20 5 JFBDRO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001294221863 1061731917 /nfs/dbraw/zinc/73/19/17/1061731917.db2.gz XCEZMMBRVRTZMN-UHFFFAOYSA-N 1 0 465.562 2.702 20 5 JFBDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286973191 1061759185 /nfs/dbraw/zinc/75/91/85/1061759185.db2.gz NDBBBMQFUPYOPD-WHSLLNHNSA-N 1 0 496.659 2.548 20 5 JFBDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294307876 1061794808 /nfs/dbraw/zinc/79/48/08/1061794808.db2.gz GLPFIRAMTQRCOP-JOCHJYFZSA-N 1 0 499.616 2.803 20 5 JFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCSC2)C1 ZINC001294456090 1062003196 /nfs/dbraw/zinc/00/31/96/1062003196.db2.gz HNDZYDVSFQMLBO-JTSKRJEESA-N 1 0 460.604 2.889 20 5 JFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCSC2)C1 ZINC001294456089 1062003425 /nfs/dbraw/zinc/00/34/25/1062003425.db2.gz HNDZYDVSFQMLBO-HTAPYJJXSA-N 1 0 460.604 2.889 20 5 JFBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294745672 1062338345 /nfs/dbraw/zinc/33/83/45/1062338345.db2.gz SSBBJXOROLNINA-VQTJNVASSA-N 1 0 476.603 2.741 20 5 JFBDRO CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001287160553 1062560454 /nfs/dbraw/zinc/56/04/54/1062560454.db2.gz SGBSZHCVHZKMBJ-PZJWPPBQSA-N 1 0 490.630 2.845 20 5 JFBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)C(=O)C1)[NH+](C)C ZINC001287322140 1062799747 /nfs/dbraw/zinc/79/97/47/1062799747.db2.gz NMFXXBDMPJOYOX-FQEVSTJZSA-N 1 0 455.563 2.641 20 5 JFBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295161378 1062983829 /nfs/dbraw/zinc/98/38/29/1062983829.db2.gz KZXHFPFXQFASSL-WIYYLYMNSA-N 1 0 490.630 2.987 20 5 JFBDRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001291105941 1063090267 /nfs/dbraw/zinc/09/02/67/1063090267.db2.gz PSOSKLARPDGTNS-ZIFCJYIRSA-N 1 0 455.563 2.894 20 5 JFBDRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291142836 1063220669 /nfs/dbraw/zinc/22/06/69/1063220669.db2.gz MOTDKPUBCLETCT-GOSISDBHSA-N 1 0 457.579 2.935 20 5 JFBDRO C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001291152872 1063243241 /nfs/dbraw/zinc/24/32/41/1063243241.db2.gz VWIFIVJVYQQUFB-PXNSSMCTSA-N 1 0 455.563 2.642 20 5 JFBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291186203 1063289261 /nfs/dbraw/zinc/28/92/61/1063289261.db2.gz BLANVBYXWWYMAS-OALUTQOASA-N 1 0 486.621 2.919 20 5 JFBDRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001295378062 1063347624 /nfs/dbraw/zinc/34/76/24/1063347624.db2.gz XNWAACOLSSQDEX-DYESRHJHSA-N 1 0 485.589 2.916 20 5 JFBDRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001295397676 1063384202 /nfs/dbraw/zinc/38/42/02/1063384202.db2.gz PVHMPJLDHRVZRA-IBGZPJMESA-N 1 0 467.530 2.856 20 5 JFBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001295527563 1063565313 /nfs/dbraw/zinc/56/53/13/1063565313.db2.gz JVMNDTYDEGYOCN-JPYJTQIMSA-N 1 0 458.563 2.969 20 5 JFBDRO CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001295541465 1063576696 /nfs/dbraw/zinc/57/66/96/1063576696.db2.gz KWFCBKVCOKKWLD-LJQANCHMSA-N 1 0 457.579 2.749 20 5 JFBDRO C[C@@H]1C[N@H+](CCCn2c(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295497 1063696316 /nfs/dbraw/zinc/69/63/16/1063696316.db2.gz ZSEMRSJKGHJHOO-LJQANCHMSA-N 1 0 486.621 2.706 20 5 JFBDRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+](CC)C2CC2)C1 ZINC001291337981 1063806656 /nfs/dbraw/zinc/80/66/56/1063806656.db2.gz KJNCNLKJFYYBGS-GOSISDBHSA-N 1 0 455.563 2.833 20 5 JFBDRO CC[NH+]1CCC(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296022187 1064083210 /nfs/dbraw/zinc/08/32/10/1064083210.db2.gz SOVZCMCIJZPVES-UHFFFAOYSA-N 1 0 469.590 2.938 20 5 JFBDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001296041147 1064100755 /nfs/dbraw/zinc/10/07/55/1064100755.db2.gz YQXFHRNOKIIRJH-INIZCTEOSA-N 1 0 467.496 2.879 20 5 JFBDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001296059967 1064123476 /nfs/dbraw/zinc/12/34/76/1064123476.db2.gz LTMAAGDQTNHSHG-AEFFLSMTSA-N 1 0 495.506 2.842 20 5 JFBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001296076266 1064144453 /nfs/dbraw/zinc/14/44/53/1064144453.db2.gz UTOFJRJXIYJJFF-OAQYLSRUSA-N 1 0 484.605 2.526 20 5 JFBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001296088330 1064157762 /nfs/dbraw/zinc/15/77/62/1064157762.db2.gz KMJLVDUPPVWVAP-ICSRJNTNSA-N 1 0 455.563 2.690 20 5 JFBDRO CC[C@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001291797679 1064307528 /nfs/dbraw/zinc/30/75/28/1064307528.db2.gz QUKFOGQLWPQTNY-FXAWDEMLSA-N 1 0 455.563 2.833 20 5 JFBDRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC001296192360 1064344659 /nfs/dbraw/zinc/34/46/59/1064344659.db2.gz DJOYKYRVIKMKGV-UHFFFAOYSA-N 1 0 473.626 2.765 20 5 JFBDRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CCOCC1 ZINC001291950818 1064562046 /nfs/dbraw/zinc/56/20/46/1064562046.db2.gz CTKRLYHLCXHTJO-HXUWFJFHSA-N 1 0 460.583 2.670 20 5 JFBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001291950904 1064562484 /nfs/dbraw/zinc/56/24/84/1064562484.db2.gz AQTAENJLGWEEPH-OXJNMPFZSA-N 1 0 457.579 2.887 20 5 JFBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)[C@H]1CC)[NH+](C)C ZINC001291952022 1064564462 /nfs/dbraw/zinc/56/44/62/1064564462.db2.gz HAKNMLDFVMTVCO-WOJBJXKFSA-N 1 0 457.579 2.935 20 5 JFBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)[C@H]1CC)[NH+](C)C ZINC001291952020 1064564514 /nfs/dbraw/zinc/56/45/14/1064564514.db2.gz HAKNMLDFVMTVCO-UXHICEINSA-N 1 0 457.579 2.935 20 5 JFBDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292115635 1064833669 /nfs/dbraw/zinc/83/36/69/1064833669.db2.gz KHUIXDIIWDYYQE-IBGZPJMESA-N 1 0 498.632 2.773 20 5 JFBDRO CCc1nn(C)c(OC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001292773050 1065530259 /nfs/dbraw/zinc/53/02/59/1065530259.db2.gz WYHJBQJQXFUGON-UHFFFAOYSA-N 1 0 482.589 2.984 20 5 JFBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293364235 1065968524 /nfs/dbraw/zinc/96/85/24/1065968524.db2.gz MGPSPMPRUXPIAI-UYAOXDASSA-N 1 0 476.603 2.741 20 5 JFBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CC[N@@H+]1CCOC ZINC001293540906 1066060071 /nfs/dbraw/zinc/06/00/71/1066060071.db2.gz RKIUUYLBRRRHIN-FPOVZHCZSA-N 1 0 458.563 2.969 20 5 JFBDRO