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-])c1ccc(-c2nc(C[NH+]3CCC(c4ccn[nH]4)CC3)co2)cc1 ZINC000089891962 494394898 /nfs/dbraw/zinc/39/48/98/494394898.db2.gz KXEKPVFYRIGNLS-UHFFFAOYSA-N 1 2 353.382 3.353 10 5 FGBELO Cc1cnn(C[C@H]2C[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)c1 ZINC000122437159 494975125 /nfs/dbraw/zinc/97/51/25/494975125.db2.gz YVJRGAHULRLOQV-QGZVFWFLSA-N 1 2 358.442 3.124 10 5 FGBELO Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)c1 ZINC000122437159 494975126 /nfs/dbraw/zinc/97/51/26/494975126.db2.gz YVJRGAHULRLOQV-QGZVFWFLSA-N 1 2 358.442 3.124 10 5 FGBELO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(CC)nc32)cc1[N+](=O)[O-] ZINC000154208404 495544719 /nfs/dbraw/zinc/54/47/19/495544719.db2.gz ANXJSPDBWGMIAG-GXTWGEPZSA-N 1 2 359.430 3.333 10 5 FGBELO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000173916272 495745841 /nfs/dbraw/zinc/74/58/41/495745841.db2.gz LWVSRVSHZYYHBE-AWEZNQCLSA-N 1 2 350.378 3.200 10 5 FGBELO CCN(Cc1cnn(C)c1)c1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301228358 498009137 /nfs/dbraw/zinc/00/91/37/498009137.db2.gz HZEXEAQGCSGIER-UHFFFAOYSA-N 1 2 352.398 3.120 10 5 FGBELO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000131968776 494787668 /nfs/dbraw/zinc/78/76/68/494787668.db2.gz MTBZJRADIGKULB-CQSZACIVSA-N 1 2 352.341 3.267 10 5 FGBELO Cn1cc([C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000131968776 494787674 /nfs/dbraw/zinc/78/76/74/494787674.db2.gz MTBZJRADIGKULB-CQSZACIVSA-N 1 2 352.341 3.267 10 5 FGBELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)cs1 ZINC000109650583 494900845 /nfs/dbraw/zinc/90/08/45/494900845.db2.gz BFUSLSGHSKBNQW-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)cs1 ZINC000109650583 494900850 /nfs/dbraw/zinc/90/08/50/494900850.db2.gz BFUSLSGHSKBNQW-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)n1 ZINC000124850002 495354233 /nfs/dbraw/zinc/35/42/33/495354233.db2.gz HZWHYBRFMGBDCE-UKRRQHHQSA-N 1 2 362.455 3.234 10 5 FGBELO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)n1 ZINC000124850002 495354237 /nfs/dbraw/zinc/35/42/37/495354237.db2.gz HZWHYBRFMGBDCE-UKRRQHHQSA-N 1 2 362.455 3.234 10 5 FGBELO O=[N+]([O-])c1ccc(CO)cc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000302058494 498389973 /nfs/dbraw/zinc/38/99/73/498389973.db2.gz RCZPCPQFFWPHET-UHFFFAOYSA-N 1 2 356.426 3.475 10 5 FGBELO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000379704076 499542898 /nfs/dbraw/zinc/54/28/98/499542898.db2.gz HOSFVLDLHRKAAV-MRXNPFEDSA-N 1 2 369.421 3.085 10 5 FGBELO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000379704076 499542899 /nfs/dbraw/zinc/54/28/99/499542899.db2.gz HOSFVLDLHRKAAV-MRXNPFEDSA-N 1 2 369.421 3.085 10 5 FGBELO O=[N+]([O-])c1c(Nc2ccccc2C(F)(F)F)ncnc1-n1cc[nH+]c1 ZINC000040588986 205072909 /nfs/dbraw/zinc/07/29/09/205072909.db2.gz VETUGKFQKBZJLA-UHFFFAOYSA-N 1 2 350.260 3.333 10 5 FGBELO O=[N+]([O-])c1c(Oc2ccc(Br)cc2)ncnc1-n1cc[nH+]c1 ZINC000040661639 205076259 /nfs/dbraw/zinc/07/62/59/205076259.db2.gz UAZNLBREFNZAFJ-UHFFFAOYSA-N 1 2 362.143 3.125 10 5 FGBELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000114201396 495354192 /nfs/dbraw/zinc/35/41/92/495354192.db2.gz RHVRDUJZYCNLJY-CQSZACIVSA-N 1 2 363.805 3.137 10 5 FGBELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000114201396 495354193 /nfs/dbraw/zinc/35/41/93/495354193.db2.gz RHVRDUJZYCNLJY-CQSZACIVSA-N 1 2 363.805 3.137 10 5 FGBELO COc1cc(C[N@@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180069719 495843387 /nfs/dbraw/zinc/84/33/87/495843387.db2.gz FFGCBMFPKXTQFF-JTQLQIEISA-N 1 2 362.398 3.185 10 5 FGBELO COc1cc(C[N@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180069719 495843388 /nfs/dbraw/zinc/84/33/88/495843388.db2.gz FFGCBMFPKXTQFF-JTQLQIEISA-N 1 2 362.398 3.185 10 5 FGBELO CC[C@@H]([NH2+]Cc1nnnn1-c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181562093 496446780 /nfs/dbraw/zinc/44/67/80/496446780.db2.gz OJBDDEMOOGTWKE-QGZVFWFLSA-N 1 2 366.425 3.428 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246638309 497792427 /nfs/dbraw/zinc/79/24/27/497792427.db2.gz JKMUQALNCGXTMO-DYVFJYSZSA-N 1 2 364.348 3.060 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246638309 497792431 /nfs/dbraw/zinc/79/24/31/497792431.db2.gz JKMUQALNCGXTMO-DYVFJYSZSA-N 1 2 364.348 3.060 10 5 FGBELO O=[N+]([O-])c1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC000301668497 498214981 /nfs/dbraw/zinc/21/49/81/498214981.db2.gz XWLDZNKYRVSVQL-MOPGFXCFSA-N 1 2 373.840 3.338 10 5 FGBELO O=[N+]([O-])c1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC000301668497 498214988 /nfs/dbraw/zinc/21/49/88/498214988.db2.gz XWLDZNKYRVSVQL-MOPGFXCFSA-N 1 2 373.840 3.338 10 5 FGBELO CC[C@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090068893 494435766 /nfs/dbraw/zinc/43/57/66/494435766.db2.gz OUNZXEVBEQBRPR-DYVFJYSZSA-N 1 2 352.398 3.372 10 5 FGBELO COc1cc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c([N+](=O)[O-])cc1F ZINC000184207735 496285554 /nfs/dbraw/zinc/28/55/54/496285554.db2.gz HJKKHLOWGWYERW-HNNXBMFYSA-N 1 2 362.405 3.430 10 5 FGBELO COc1cc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c([N+](=O)[O-])cc1F ZINC000184207735 496285559 /nfs/dbraw/zinc/28/55/59/496285559.db2.gz HJKKHLOWGWYERW-HNNXBMFYSA-N 1 2 362.405 3.430 10 5 FGBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)o2)cc1 ZINC000173400135 496676111 /nfs/dbraw/zinc/67/61/11/496676111.db2.gz LPFYLYDVCHIRLL-OAHLLOKOSA-N 1 2 354.370 3.095 10 5 FGBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)o2)cc1 ZINC000173400135 496676117 /nfs/dbraw/zinc/67/61/17/496676117.db2.gz LPFYLYDVCHIRLL-OAHLLOKOSA-N 1 2 354.370 3.095 10 5 FGBELO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)n1 ZINC000246945775 496732514 /nfs/dbraw/zinc/73/25/14/496732514.db2.gz HZWHYBRFMGBDCE-ZFWWWQNUSA-N 1 2 362.455 3.234 10 5 FGBELO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000246945775 496732516 /nfs/dbraw/zinc/73/25/16/496732516.db2.gz HZWHYBRFMGBDCE-ZFWWWQNUSA-N 1 2 362.455 3.234 10 5 FGBELO CC[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000177594228 496125794 /nfs/dbraw/zinc/12/57/94/496125794.db2.gz QTQXYKWPMWVFHP-IAGOWNOFSA-N 1 2 357.414 3.117 10 5 FGBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000182225755 496713843 /nfs/dbraw/zinc/71/38/43/496713843.db2.gz OWIIPIDXBHQVIM-UKRRQHHQSA-N 1 2 363.439 3.018 10 5 FGBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000182225755 496713847 /nfs/dbraw/zinc/71/38/47/496713847.db2.gz OWIIPIDXBHQVIM-UKRRQHHQSA-N 1 2 363.439 3.018 10 5 FGBELO Cc1cc(N[C@H]2CCc3n[nH]cc3C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301296378 498044340 /nfs/dbraw/zinc/04/43/40/498044340.db2.gz SFLNCVNXXZTSOC-AWEZNQCLSA-N 1 2 350.382 3.053 10 5 FGBELO O=[N+]([O-])c1ccc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c(Cl)c1 ZINC000301668498 498215570 /nfs/dbraw/zinc/21/55/70/498215570.db2.gz XWLDZNKYRVSVQL-OALUTQOASA-N 1 2 373.840 3.338 10 5 FGBELO O=[N+]([O-])c1ccc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c(Cl)c1 ZINC000301668498 498215578 /nfs/dbraw/zinc/21/55/78/498215578.db2.gz XWLDZNKYRVSVQL-OALUTQOASA-N 1 2 373.840 3.338 10 5 FGBELO Cc1cc(NC[C@@H](O)Cc2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301189098 497990966 /nfs/dbraw/zinc/99/09/66/497990966.db2.gz KUPSTIRCXGXION-SFHVURJKSA-N 1 2 364.405 3.376 10 5 FGBELO Cc1nc(C[N@@H+]2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)cs1 ZINC000106146006 495419725 /nfs/dbraw/zinc/41/97/25/495419725.db2.gz WQKOTASSXKDXBJ-UHFFFAOYSA-N 1 2 352.485 3.129 10 5 FGBELO Cc1nc(C[N@H+]2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)cs1 ZINC000106146006 495419728 /nfs/dbraw/zinc/41/97/28/495419728.db2.gz WQKOTASSXKDXBJ-UHFFFAOYSA-N 1 2 352.485 3.129 10 5 FGBELO Cc1nc(CN2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)cs1 ZINC000106146006 495419732 /nfs/dbraw/zinc/41/97/32/495419732.db2.gz WQKOTASSXKDXBJ-UHFFFAOYSA-N 1 2 352.485 3.129 10 5 FGBELO Cc1nc(CN2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)cs1 ZINC000106146006 495419736 /nfs/dbraw/zinc/41/97/36/495419736.db2.gz WQKOTASSXKDXBJ-UHFFFAOYSA-N 1 2 352.485 3.129 10 5 FGBELO CCOC(=O)[C@@]1(C)CCN(c2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000154898824 495766082 /nfs/dbraw/zinc/76/60/82/495766082.db2.gz NYLBUVSEMVPKPW-IBGZPJMESA-N 1 2 370.409 3.140 10 5 FGBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000186333515 495952849 /nfs/dbraw/zinc/95/28/49/495952849.db2.gz VQALENUNDMJEMT-SDNWHVSQSA-N 1 2 368.437 3.440 10 5 FGBELO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000154053643 496668954 /nfs/dbraw/zinc/66/89/54/496668954.db2.gz KPRKRWNHOSDTQD-CHWSQXEVSA-N 1 2 359.430 3.333 10 5 FGBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245446153 497411242 /nfs/dbraw/zinc/41/12/42/497411242.db2.gz KXZSVWCFERCSID-WBMJQRKESA-N 1 2 368.397 3.276 10 5 FGBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245446153 497411244 /nfs/dbraw/zinc/41/12/44/497411244.db2.gz KXZSVWCFERCSID-WBMJQRKESA-N 1 2 368.397 3.276 10 5 FGBELO O=C(C[NH+]1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000302858659 498602634 /nfs/dbraw/zinc/60/26/34/498602634.db2.gz NQIVBXCCNGFVEV-UHFFFAOYSA-N 1 2 372.400 3.249 10 5 FGBELO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000472074813 502221356 /nfs/dbraw/zinc/22/13/56/502221356.db2.gz PGRDMXYJXQNLLF-VURMDHGXSA-N 1 2 365.393 3.095 10 5 FGBELO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000472074813 502221364 /nfs/dbraw/zinc/22/13/64/502221364.db2.gz PGRDMXYJXQNLLF-VURMDHGXSA-N 1 2 365.393 3.095 10 5 FGBELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089892358 494394784 /nfs/dbraw/zinc/39/47/84/494394784.db2.gz HMYDTUGKYVPLIY-OAHLLOKOSA-N 1 2 372.425 3.131 10 5 FGBELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089892358 494394789 /nfs/dbraw/zinc/39/47/89/494394789.db2.gz HMYDTUGKYVPLIY-OAHLLOKOSA-N 1 2 372.425 3.131 10 5 FGBELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000109651534 494900822 /nfs/dbraw/zinc/90/08/22/494900822.db2.gz SEXOSEWGUIKFEY-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000109651534 494900826 /nfs/dbraw/zinc/90/08/26/494900826.db2.gz SEXOSEWGUIKFEY-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cs2)c1 ZINC000119482076 495175105 /nfs/dbraw/zinc/17/51/05/495175105.db2.gz RVGCZRLGKWDAOJ-INIZCTEOSA-N 1 2 370.438 3.147 10 5 FGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](n4cncn4)C3)cs2)c1 ZINC000119482076 495175106 /nfs/dbraw/zinc/17/51/06/495175106.db2.gz RVGCZRLGKWDAOJ-INIZCTEOSA-N 1 2 370.438 3.147 10 5 FGBELO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(CC)nc32)cc1[N+](=O)[O-] ZINC000154208514 495545879 /nfs/dbraw/zinc/54/58/79/495545879.db2.gz ANXJSPDBWGMIAG-OCCSQVGLSA-N 1 2 359.430 3.333 10 5 FGBELO CC(C)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000179808583 495743148 /nfs/dbraw/zinc/74/31/48/495743148.db2.gz NRHDDMPBCVIKIT-FZMZJTMJSA-N 1 2 371.401 3.201 10 5 FGBELO CC[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000175681397 496498697 /nfs/dbraw/zinc/49/86/97/496498697.db2.gz WPUWWMQPZIAUBR-QGZVFWFLSA-N 1 2 367.409 3.236 10 5 FGBELO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000248374240 496986285 /nfs/dbraw/zinc/98/62/85/496986285.db2.gz OWIIPIDXBHQVIM-ZFWWWQNUSA-N 1 2 363.439 3.018 10 5 FGBELO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000248374240 496986290 /nfs/dbraw/zinc/98/62/90/496986290.db2.gz OWIIPIDXBHQVIM-ZFWWWQNUSA-N 1 2 363.439 3.018 10 5 FGBELO Cc1cc(NC[C@H](O)Cc2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301189097 497991259 /nfs/dbraw/zinc/99/12/59/497991259.db2.gz KUPSTIRCXGXION-GOSISDBHSA-N 1 2 364.405 3.376 10 5 FGBELO CC(C)c1nc(C2([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000154379849 495598850 /nfs/dbraw/zinc/59/88/50/495598850.db2.gz WTRGIQCYJBKBBY-OAHLLOKOSA-N 1 2 360.414 3.194 10 5 FGBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1 ZINC000172245216 496225293 /nfs/dbraw/zinc/22/52/93/496225293.db2.gz HUVZMWVBOCJPTN-OAHLLOKOSA-N 1 2 352.350 3.351 10 5 FGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000162481407 496359576 /nfs/dbraw/zinc/35/95/76/496359576.db2.gz QZJSEPAGRKCENJ-UHFFFAOYSA-N 1 2 357.414 3.350 10 5 FGBELO CC[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000175841606 496569232 /nfs/dbraw/zinc/56/92/32/496569232.db2.gz YZXKRRIDKWFBMB-MRXNPFEDSA-N 1 2 357.414 3.242 10 5 FGBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505782 496944841 /nfs/dbraw/zinc/94/48/41/496944841.db2.gz LZLUMTONYFFGNE-LBPRGKRZSA-N 1 2 368.397 3.309 10 5 FGBELO CCS[C@@H]1CC[C@]1(O)CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301499582 498137241 /nfs/dbraw/zinc/13/72/41/498137241.db2.gz WGACWTOUALWPRP-QAPCUYQASA-N 1 2 374.466 3.419 10 5 FGBELO CC(C)c1[nH+]c2c(n1C)CCN(CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000106374024 495450759 /nfs/dbraw/zinc/45/07/59/495450759.db2.gz GZNKQLFWZIVPPA-UHFFFAOYSA-N 1 2 358.442 3.279 10 5 FGBELO CC(C)c1nc2c(n1C)CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000106374024 495450760 /nfs/dbraw/zinc/45/07/60/495450760.db2.gz GZNKQLFWZIVPPA-UHFFFAOYSA-N 1 2 358.442 3.279 10 5 FGBELO CC(C)c1nc2c(n1C)CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000106374024 495450761 /nfs/dbraw/zinc/45/07/61/495450761.db2.gz GZNKQLFWZIVPPA-UHFFFAOYSA-N 1 2 358.442 3.279 10 5 FGBELO C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175974356 496625488 /nfs/dbraw/zinc/62/54/88/496625488.db2.gz JWVSHQMYDIQLCC-AWEZNQCLSA-N 1 2 365.393 3.341 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247576493 496891855 /nfs/dbraw/zinc/89/18/55/496891855.db2.gz XRBUKJYGRLKIAG-DOMZBBRYSA-N 1 2 359.382 3.361 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247576493 496891861 /nfs/dbraw/zinc/89/18/61/496891861.db2.gz XRBUKJYGRLKIAG-DOMZBBRYSA-N 1 2 359.382 3.361 10 5 FGBELO COC(=O)c1cc(NCCNc2ccc3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000301220909 498005293 /nfs/dbraw/zinc/00/52/93/498005293.db2.gz BQBLWDWHSNNJPX-UHFFFAOYSA-N 1 2 366.377 3.454 10 5 FGBELO CCS[C@@H]1CC[C@@]1(O)CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301499576 498137784 /nfs/dbraw/zinc/13/77/84/498137784.db2.gz WGACWTOUALWPRP-CRAIPNDOSA-N 1 2 374.466 3.419 10 5 FGBELO Cc1cc(N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000302841750 498598181 /nfs/dbraw/zinc/59/81/81/498598181.db2.gz DDSCHYGJTYMTQS-UHFFFAOYSA-N 1 2 359.405 3.282 10 5 FGBELO CC[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090620093 494488494 /nfs/dbraw/zinc/48/84/94/494488494.db2.gz HBFHJGKEPSYDJY-WBVHZDCISA-N 1 2 369.425 3.019 10 5 FGBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000195511824 496948252 /nfs/dbraw/zinc/94/82/52/496948252.db2.gz FZUQSEIUWGDBND-KRWDZBQOSA-N 1 2 371.441 3.129 10 5 FGBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000195511824 496948255 /nfs/dbraw/zinc/94/82/55/496948255.db2.gz FZUQSEIUWGDBND-KRWDZBQOSA-N 1 2 371.441 3.129 10 5 FGBELO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173950933 495759528 /nfs/dbraw/zinc/75/95/28/495759528.db2.gz ZBKBVYOABYMNBL-AWEZNQCLSA-N 1 2 366.377 3.037 10 5 FGBELO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000154053534 496668930 /nfs/dbraw/zinc/66/89/30/496668930.db2.gz KPRKRWNHOSDTQD-STQMWFEESA-N 1 2 359.430 3.333 10 5 FGBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000195511400 496946377 /nfs/dbraw/zinc/94/63/77/496946377.db2.gz POPZFJXBMYEHSL-KRWDZBQOSA-N 1 2 371.441 3.129 10 5 FGBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000195511400 496946380 /nfs/dbraw/zinc/94/63/80/496946380.db2.gz POPZFJXBMYEHSL-KRWDZBQOSA-N 1 2 371.441 3.129 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195511561 496948055 /nfs/dbraw/zinc/94/80/55/496948055.db2.gz BLHMRUVKZORPOD-MRXNPFEDSA-N 1 2 371.441 3.129 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195511561 496948061 /nfs/dbraw/zinc/94/80/61/496948061.db2.gz BLHMRUVKZORPOD-MRXNPFEDSA-N 1 2 371.441 3.129 10 5 FGBELO COC(=O)N1CCC(Nc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301113667 497956917 /nfs/dbraw/zinc/95/69/17/497956917.db2.gz UDFWFRNCFBABED-UHFFFAOYSA-N 1 2 371.397 3.003 10 5 FGBELO Cc1cc(NCc2nncn2C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301285605 498037834 /nfs/dbraw/zinc/03/78/34/498037834.db2.gz ODFTZRNAVPSWEM-UHFFFAOYSA-N 1 2 353.386 3.145 10 5 FGBELO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301647579 498204735 /nfs/dbraw/zinc/20/47/35/498204735.db2.gz DQMAZXITTVARNI-ZDUSSCGKSA-N 1 2 364.199 3.410 10 5 FGBELO O=[N+]([O-])c1c(Nc2ccc(C(F)(F)F)cc2)ncnc1-n1cc[nH+]c1 ZINC000040660975 208262018 /nfs/dbraw/zinc/26/20/18/208262018.db2.gz SITAUWSCQGXCAS-UHFFFAOYSA-N 1 2 350.260 3.333 10 5 FGBELO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000121154085 494620856 /nfs/dbraw/zinc/62/08/56/494620856.db2.gz NKKRBEXPHMDUTQ-XJKSGUPXSA-N 1 2 364.348 3.190 10 5 FGBELO COc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000121154085 494620861 /nfs/dbraw/zinc/62/08/61/494620861.db2.gz NKKRBEXPHMDUTQ-XJKSGUPXSA-N 1 2 364.348 3.190 10 5 FGBELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000131478725 494633474 /nfs/dbraw/zinc/63/34/74/494633474.db2.gz NPNCAMIZPZBZBR-CYBMUJFWSA-N 1 2 374.441 3.157 10 5 FGBELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000131478725 494633479 /nfs/dbraw/zinc/63/34/79/494633479.db2.gz NPNCAMIZPZBZBR-CYBMUJFWSA-N 1 2 374.441 3.157 10 5 FGBELO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116298465 494755549 /nfs/dbraw/zinc/75/55/49/494755549.db2.gz FYNNOHRLCJGTPQ-IUODEOHRSA-N 1 2 359.382 3.361 10 5 FGBELO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116298465 494755553 /nfs/dbraw/zinc/75/55/53/494755553.db2.gz FYNNOHRLCJGTPQ-IUODEOHRSA-N 1 2 359.382 3.361 10 5 FGBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC000112665414 495219385 /nfs/dbraw/zinc/21/93/85/495219385.db2.gz SDQFDYRHKQPQHP-RMKNXTFCSA-N 1 2 354.410 3.050 10 5 FGBELO COc1ccc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000173932998 495752520 /nfs/dbraw/zinc/75/25/20/495752520.db2.gz RAWSYKQDSGIVBX-ZDUSSCGKSA-N 1 2 366.377 3.280 10 5 FGBELO CC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000177643224 496143487 /nfs/dbraw/zinc/14/34/87/496143487.db2.gz ZALPAURAMCUYFB-MRXNPFEDSA-N 1 2 353.382 3.193 10 5 FGBELO COc1cc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c([N+](=O)[O-])cc1F ZINC000184209702 496287206 /nfs/dbraw/zinc/28/72/06/496287206.db2.gz VTMHZYRCOLRBIW-UHFFFAOYSA-N 1 2 362.405 3.158 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173923546 495749166 /nfs/dbraw/zinc/74/91/66/495749166.db2.gz IQHXIIJICRVLAN-CYBMUJFWSA-N 1 2 366.377 3.280 10 5 FGBELO C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000175168955 496276196 /nfs/dbraw/zinc/27/61/96/496276196.db2.gz ITAGBVUMUUGFAI-CQSZACIVSA-N 1 2 365.393 3.341 10 5 FGBELO O=[N+]([O-])c1c(-n2cc[nH+]c2)ncnc1N1CCC(Cc2ccccc2)CC1 ZINC000040611846 132947559 /nfs/dbraw/zinc/94/75/59/132947559.db2.gz RJBVRSVAFVZDEP-UHFFFAOYSA-N 1 2 364.409 3.030 10 5 FGBELO CC[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000090519620 494476700 /nfs/dbraw/zinc/47/67/00/494476700.db2.gz WPUWWMQPZIAUBR-KRWDZBQOSA-N 1 2 367.409 3.236 10 5 FGBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092708713 494720722 /nfs/dbraw/zinc/72/07/22/494720722.db2.gz UWASEJGMZFJWNV-ZDUSSCGKSA-N 1 2 371.384 3.077 10 5 FGBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092708713 494720725 /nfs/dbraw/zinc/72/07/25/494720725.db2.gz UWASEJGMZFJWNV-ZDUSSCGKSA-N 1 2 371.384 3.077 10 5 FGBELO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(CC)nc32)cc1[N+](=O)[O-] ZINC000154208301 495544442 /nfs/dbraw/zinc/54/44/42/495544442.db2.gz ANXJSPDBWGMIAG-JSGCOSHPSA-N 1 2 359.430 3.333 10 5 FGBELO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170779224 495602047 /nfs/dbraw/zinc/60/20/47/495602047.db2.gz GLEVTTIMOAMACC-GOSISDBHSA-N 1 2 369.421 3.046 10 5 FGBELO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170779224 495602051 /nfs/dbraw/zinc/60/20/51/495602051.db2.gz GLEVTTIMOAMACC-GOSISDBHSA-N 1 2 369.421 3.046 10 5 FGBELO Cc1csc([C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000195396880 496911733 /nfs/dbraw/zinc/91/17/33/496911733.db2.gz XYUVKDLUYOVHSM-INIZCTEOSA-N 1 2 363.439 3.202 10 5 FGBELO Cc1csc([C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000195396880 496911741 /nfs/dbraw/zinc/91/17/41/496911741.db2.gz XYUVKDLUYOVHSM-INIZCTEOSA-N 1 2 363.439 3.202 10 5 FGBELO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000379704075 499542847 /nfs/dbraw/zinc/54/28/47/499542847.db2.gz HOSFVLDLHRKAAV-INIZCTEOSA-N 1 2 369.421 3.085 10 5 FGBELO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000379704075 499542848 /nfs/dbraw/zinc/54/28/48/499542848.db2.gz HOSFVLDLHRKAAV-INIZCTEOSA-N 1 2 369.421 3.085 10 5 FGBELO CCc1nn(C)cc1CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092959196 494794785 /nfs/dbraw/zinc/79/47/85/494794785.db2.gz QLVKSXSUQKVDPV-UHFFFAOYSA-N 1 2 352.398 3.268 10 5 FGBELO CC[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178678960 496538229 /nfs/dbraw/zinc/53/82/29/496538229.db2.gz OUNZXEVBEQBRPR-SUMWQHHRSA-N 1 2 352.398 3.372 10 5 FGBELO CN(c1cccnn1)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116277827 494750100 /nfs/dbraw/zinc/75/01/00/494750100.db2.gz FSLJNNXPLKUMRV-UHFFFAOYSA-N 1 2 361.833 3.139 10 5 FGBELO Cc1cc(C[C@H](C)Nc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000133528622 495024920 /nfs/dbraw/zinc/02/49/20/495024920.db2.gz GCLPWGYGGKPMGW-NSHDSACASA-N 1 2 352.398 3.435 10 5 FGBELO Cc1cc(C[C@H](C)Nc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)[nH]n1 ZINC000133528622 495024924 /nfs/dbraw/zinc/02/49/24/495024924.db2.gz GCLPWGYGGKPMGW-NSHDSACASA-N 1 2 352.398 3.435 10 5 FGBELO Cc1cc(N2CCC[C@H](n3cccn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301146740 497971691 /nfs/dbraw/zinc/97/16/91/497971691.db2.gz BEGDOFUYEDXFSS-KRWDZBQOSA-N 1 2 364.409 3.398 10 5 FGBELO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000301652737 498207242 /nfs/dbraw/zinc/20/72/42/498207242.db2.gz QSGCGLMCSMRXEJ-RBUKOAKNSA-N 1 2 373.840 3.338 10 5 FGBELO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000301652737 498207249 /nfs/dbraw/zinc/20/72/49/498207249.db2.gz QSGCGLMCSMRXEJ-RBUKOAKNSA-N 1 2 373.840 3.338 10 5 FGBELO O=[N+]([O-])c1ccc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)c(Cl)c1 ZINC000301668500 498215752 /nfs/dbraw/zinc/21/57/52/498215752.db2.gz XWLDZNKYRVSVQL-RTBURBONSA-N 1 2 373.840 3.338 10 5 FGBELO O=[N+]([O-])c1ccc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)c(Cl)c1 ZINC000301668500 498215758 /nfs/dbraw/zinc/21/57/58/498215758.db2.gz XWLDZNKYRVSVQL-RTBURBONSA-N 1 2 373.840 3.338 10 5 FGBELO O=C(c1cccc([N+](=O)[O-])c1)[C@H](O)Nc1cc(Cl)c2ccc[nH+]c2c1O ZINC000013282566 210233486 /nfs/dbraw/zinc/23/34/86/210233486.db2.gz DDDNPHDSIBPCOO-KRWDZBQOSA-N 1 2 373.752 3.115 10 5 FGBELO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000122822911 495036036 /nfs/dbraw/zinc/03/60/36/495036036.db2.gz BHMPPUZURWTEGC-UHFFFAOYSA-N 1 2 373.413 3.051 10 5 FGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106145077 495419652 /nfs/dbraw/zinc/41/96/52/495419652.db2.gz ASOFBFYDYLNIJK-MRXNPFEDSA-N 1 2 371.485 3.425 10 5 FGBELO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106145077 495419655 /nfs/dbraw/zinc/41/96/55/495419655.db2.gz ASOFBFYDYLNIJK-MRXNPFEDSA-N 1 2 371.485 3.425 10 5 FGBELO Cc1csc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000195336709 496894176 /nfs/dbraw/zinc/89/41/76/496894176.db2.gz MDFCHLWOOVWPAK-CYBMUJFWSA-N 1 2 360.439 3.178 10 5 FGBELO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000195336709 496894181 /nfs/dbraw/zinc/89/41/81/496894181.db2.gz MDFCHLWOOVWPAK-CYBMUJFWSA-N 1 2 360.439 3.178 10 5 FGBELO Cc1cc(N2CCC(n3cccn3)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301106308 497954520 /nfs/dbraw/zinc/95/45/20/497954520.db2.gz LMBDWCWRZKHAML-UHFFFAOYSA-N 1 2 364.409 3.398 10 5 FGBELO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000183776277 705901938 /nfs/dbraw/zinc/90/19/38/705901938.db2.gz TZWQXOKBLQTPNA-SECBINFHSA-N 1 2 351.765 3.337 10 5 FGBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000112666273 495219867 /nfs/dbraw/zinc/21/98/67/495219867.db2.gz RXDQEQRJEKKVPF-UHFFFAOYSA-N 1 2 362.817 3.304 10 5 FGBELO CC(C)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000179808613 495742777 /nfs/dbraw/zinc/74/27/77/495742777.db2.gz NRHDDMPBCVIKIT-RISCZKNCSA-N 1 2 371.401 3.201 10 5 FGBELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000177060388 495906137 /nfs/dbraw/zinc/90/61/37/495906137.db2.gz WKFRBEMLYOFXEI-UHFFFAOYSA-N 1 2 355.398 3.151 10 5 FGBELO CC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000177643213 496143744 /nfs/dbraw/zinc/14/37/44/496143744.db2.gz ZALPAURAMCUYFB-INIZCTEOSA-N 1 2 353.382 3.193 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247576497 496892460 /nfs/dbraw/zinc/89/24/60/496892460.db2.gz XRBUKJYGRLKIAG-WFASDCNBSA-N 1 2 359.382 3.361 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247576497 496892461 /nfs/dbraw/zinc/89/24/61/496892461.db2.gz XRBUKJYGRLKIAG-WFASDCNBSA-N 1 2 359.382 3.361 10 5 FGBELO O=[N+]([O-])c1ccc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c(Cl)c1 ZINC000301668499 498215456 /nfs/dbraw/zinc/21/54/56/498215456.db2.gz XWLDZNKYRVSVQL-RBUKOAKNSA-N 1 2 373.840 3.338 10 5 FGBELO O=[N+]([O-])c1ccc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c(Cl)c1 ZINC000301668499 498215466 /nfs/dbraw/zinc/21/54/66/498215466.db2.gz XWLDZNKYRVSVQL-RBUKOAKNSA-N 1 2 373.840 3.338 10 5 FGBELO CC[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000302057416 498388360 /nfs/dbraw/zinc/38/83/60/498388360.db2.gz ZUUMBXXBSSCLIC-WDEREUQCSA-N 1 2 362.257 3.183 10 5 FGBELO CC[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000302057416 498388365 /nfs/dbraw/zinc/38/83/65/498388365.db2.gz ZUUMBXXBSSCLIC-WDEREUQCSA-N 1 2 362.257 3.183 10 5 FGBELO O=[N+]([O-])c1ccc(F)cc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000302790781 498575899 /nfs/dbraw/zinc/57/58/99/498575899.db2.gz ACOSRZJDPNZWMZ-HNNXBMFYSA-N 1 2 351.403 3.281 10 5 FGBELO CCOC(=O)c1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000124089148 495232178 /nfs/dbraw/zinc/23/21/78/495232178.db2.gz FZKWOTPOPNTSCF-AWEZNQCLSA-N 1 2 370.409 3.105 10 5 FGBELO CCOC(=O)c1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000124088895 495232428 /nfs/dbraw/zinc/23/24/28/495232428.db2.gz FZKWOTPOPNTSCF-CQSZACIVSA-N 1 2 370.409 3.105 10 5 FGBELO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)n2)c1 ZINC000114201653 495353394 /nfs/dbraw/zinc/35/33/94/495353394.db2.gz QIVSXLXXOOCUIU-OAHLLOKOSA-N 1 2 354.370 3.095 10 5 FGBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)n2)c1 ZINC000114201653 495353396 /nfs/dbraw/zinc/35/33/96/495353396.db2.gz QIVSXLXXOOCUIU-OAHLLOKOSA-N 1 2 354.370 3.095 10 5 FGBELO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000174245902 495880348 /nfs/dbraw/zinc/88/03/48/495880348.db2.gz ZPEVAYJMIDSDJY-UHFFFAOYSA-N 1 2 358.398 3.293 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246638329 497792307 /nfs/dbraw/zinc/79/23/07/497792307.db2.gz JKMUQALNCGXTMO-GUYCJALGSA-N 1 2 364.348 3.060 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246638329 497792310 /nfs/dbraw/zinc/79/23/10/497792310.db2.gz JKMUQALNCGXTMO-GUYCJALGSA-N 1 2 364.348 3.060 10 5 FGBELO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000246709765 497802491 /nfs/dbraw/zinc/80/24/91/497802491.db2.gz NKKRBEXPHMDUTQ-CJNGLKHVSA-N 1 2 364.348 3.190 10 5 FGBELO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000246709765 497802494 /nfs/dbraw/zinc/80/24/94/497802494.db2.gz NKKRBEXPHMDUTQ-CJNGLKHVSA-N 1 2 364.348 3.190 10 5 FGBELO Cc1cc(N2CCC[C@@H](n3cccn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301146741 497971511 /nfs/dbraw/zinc/97/15/11/497971511.db2.gz BEGDOFUYEDXFSS-QGZVFWFLSA-N 1 2 364.409 3.398 10 5 FGBELO CC[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000128585722 495120452 /nfs/dbraw/zinc/12/04/52/495120452.db2.gz HBFHJGKEPSYDJY-NVXWUHKLSA-N 1 2 369.425 3.019 10 5 FGBELO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000173941196 495755155 /nfs/dbraw/zinc/75/51/55/495755155.db2.gz FOSXRUZLPRRTTA-GFCCVEGCSA-N 1 2 354.341 3.411 10 5 FGBELO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173950944 495759482 /nfs/dbraw/zinc/75/94/82/495759482.db2.gz ZBKBVYOABYMNBL-CQSZACIVSA-N 1 2 366.377 3.037 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121078457 494583934 /nfs/dbraw/zinc/58/39/34/494583934.db2.gz JKMUQALNCGXTMO-CXAGYDPISA-N 1 2 364.348 3.060 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121078457 494583943 /nfs/dbraw/zinc/58/39/43/494583943.db2.gz JKMUQALNCGXTMO-CXAGYDPISA-N 1 2 364.348 3.060 10 5 FGBELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000106210168 495430903 /nfs/dbraw/zinc/43/09/03/495430903.db2.gz ZABDLPBMXNDARV-KRWDZBQOSA-N 1 2 371.441 3.029 10 5 FGBELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000106210168 495430907 /nfs/dbraw/zinc/43/09/07/495430907.db2.gz ZABDLPBMXNDARV-KRWDZBQOSA-N 1 2 371.441 3.029 10 5 FGBELO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177778924 496192918 /nfs/dbraw/zinc/19/29/18/496192918.db2.gz AHDXQLLGUCYFGE-OAHLLOKOSA-N 1 2 356.426 3.394 10 5 FGBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104682576 495297021 /nfs/dbraw/zinc/29/70/21/495297021.db2.gz PXGUHGMMYSCBIB-INIZCTEOSA-N 1 2 363.458 3.263 10 5 FGBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104682576 495297024 /nfs/dbraw/zinc/29/70/24/495297024.db2.gz PXGUHGMMYSCBIB-INIZCTEOSA-N 1 2 363.458 3.263 10 5 FGBELO CC(C)C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000179808393 495742876 /nfs/dbraw/zinc/74/28/76/495742876.db2.gz UTALIMAWPYOSGL-RISCZKNCSA-N 1 2 371.401 3.201 10 5 FGBELO Cc1csc([C@@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000195331963 496893302 /nfs/dbraw/zinc/89/33/02/496893302.db2.gz VGHYGIJAXDKGOK-CQSZACIVSA-N 1 2 374.466 3.486 10 5 FGBELO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000195331963 496893308 /nfs/dbraw/zinc/89/33/08/496893308.db2.gz VGHYGIJAXDKGOK-CQSZACIVSA-N 1 2 374.466 3.486 10 5 FGBELO COC(=O)c1cc(NCCc2[nH]c3ccc(F)cc3[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000301717732 498237256 /nfs/dbraw/zinc/23/72/56/498237256.db2.gz LAANTTONYWVOLA-UHFFFAOYSA-N 1 2 372.356 3.360 10 5 FGBELO Cc1ncc(C[NH+]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)s1 ZINC000172179064 705410004 /nfs/dbraw/zinc/41/00/04/705410004.db2.gz ULQUINIEXWRRLF-UHFFFAOYSA-N 1 2 366.874 3.331 10 5 FGBELO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000173916284 495745821 /nfs/dbraw/zinc/74/58/21/495745821.db2.gz LWVSRVSHZYYHBE-CQSZACIVSA-N 1 2 350.378 3.200 10 5 FGBELO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173936364 495754543 /nfs/dbraw/zinc/75/45/43/495754543.db2.gz NPOXTRPOLYLYDM-ZDUSSCGKSA-N 1 2 366.377 3.280 10 5 FGBELO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000183646353 496060457 /nfs/dbraw/zinc/06/04/57/496060457.db2.gz NQRDQXVTBMQLTP-LBPRGKRZSA-N 1 2 352.354 3.058 10 5 FGBELO CC[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000302057412 498388328 /nfs/dbraw/zinc/38/83/28/498388328.db2.gz ZUUMBXXBSSCLIC-MNOVXSKESA-N 1 2 362.257 3.183 10 5 FGBELO CC[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000302057412 498388334 /nfs/dbraw/zinc/38/83/34/498388334.db2.gz ZUUMBXXBSSCLIC-MNOVXSKESA-N 1 2 362.257 3.183 10 5 FGBELO Cc1cc(N2CCC[C@H]2c2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000108945887 494808867 /nfs/dbraw/zinc/80/88/67/494808867.db2.gz FHBPRQFELQXGHK-KRWDZBQOSA-N 1 2 364.409 3.435 10 5 FGBELO CCOc1ccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1[N+](=O)[O-] ZINC000112666344 495219598 /nfs/dbraw/zinc/21/95/98/495219598.db2.gz ZKZZREFCFRYIII-UHFFFAOYSA-N 1 2 372.425 3.049 10 5 FGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106145076 495419963 /nfs/dbraw/zinc/41/99/63/495419963.db2.gz ASOFBFYDYLNIJK-INIZCTEOSA-N 1 2 371.485 3.425 10 5 FGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106145076 495419965 /nfs/dbraw/zinc/41/99/65/495419965.db2.gz ASOFBFYDYLNIJK-INIZCTEOSA-N 1 2 371.485 3.425 10 5 FGBELO CCc1noc([C@@H](C)N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182753285 495688782 /nfs/dbraw/zinc/68/87/82/495688782.db2.gz ANKLKPAEJHBUHH-HUUCEWRRSA-N 1 2 373.457 3.288 10 5 FGBELO CCS[C@@H]1CC[C@]1(O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301484580 498129881 /nfs/dbraw/zinc/12/98/81/498129881.db2.gz GSVFERGXARLDAY-QAPCUYQASA-N 1 2 374.466 3.419 10 5 FGBELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000106210178 495431248 /nfs/dbraw/zinc/43/12/48/495431248.db2.gz LQAMBBIZMNOHPW-KRWDZBQOSA-N 1 2 371.441 3.029 10 5 FGBELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000106210178 495431253 /nfs/dbraw/zinc/43/12/53/495431253.db2.gz LQAMBBIZMNOHPW-KRWDZBQOSA-N 1 2 371.441 3.029 10 5 FGBELO Cc1ncc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)s1 ZINC000182135483 496684044 /nfs/dbraw/zinc/68/40/44/496684044.db2.gz FZVNYEYEYDOSMR-UHFFFAOYSA-N 1 2 366.874 3.331 10 5 FGBELO Cc1cc(N[C@@H](C)C(=O)NC(C)(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301226217 498008467 /nfs/dbraw/zinc/00/84/67/498008467.db2.gz GPQYABXIIWKUTL-LBPRGKRZSA-N 1 2 357.414 3.075 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000301283141 498036774 /nfs/dbraw/zinc/03/67/74/498036774.db2.gz YGNPGDUBQCZRCY-CYBMUJFWSA-N 1 2 357.414 3.242 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000301283141 498036781 /nfs/dbraw/zinc/03/67/81/498036781.db2.gz YGNPGDUBQCZRCY-CYBMUJFWSA-N 1 2 357.414 3.242 10 5 FGBELO C[C@@H]1CN(c2ccc(CNc3cc(F)ccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000302788447 498576412 /nfs/dbraw/zinc/57/64/12/498576412.db2.gz CIRVCUUTQDCQMQ-BETUJISGSA-N 1 2 360.389 3.355 10 5 FGBELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000109650222 494901182 /nfs/dbraw/zinc/90/11/82/494901182.db2.gz JDFIOZANONHQQW-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000109650222 494901185 /nfs/dbraw/zinc/90/11/85/494901185.db2.gz JDFIOZANONHQQW-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)n1 ZINC000124849749 495354309 /nfs/dbraw/zinc/35/43/09/495354309.db2.gz HZWHYBRFMGBDCE-HIFRSBDPSA-N 1 2 362.455 3.234 10 5 FGBELO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)n1 ZINC000124849749 495354311 /nfs/dbraw/zinc/35/43/11/495354311.db2.gz HZWHYBRFMGBDCE-HIFRSBDPSA-N 1 2 362.455 3.234 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173713758 495658924 /nfs/dbraw/zinc/65/89/24/495658924.db2.gz GMWKWMOUQPHINH-UHFFFAOYSA-N 1 2 358.398 3.293 10 5 FGBELO CC[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301241979 498016371 /nfs/dbraw/zinc/01/63/71/498016371.db2.gz OPYBRMUCDZIBCS-DGCLKSJQSA-N 1 2 357.414 3.075 10 5 FGBELO COc1ccc(C[NH+]2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc1F ZINC000302827419 498591226 /nfs/dbraw/zinc/59/12/26/498591226.db2.gz BJIOSSGSPRTOMP-UHFFFAOYSA-N 1 2 363.364 3.204 10 5 FGBELO Cn1cc([C@H]2CCC[N@@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cn1 ZINC000171360889 705382202 /nfs/dbraw/zinc/38/22/02/705382202.db2.gz VRTZXTARDRFLPE-CYBMUJFWSA-N 1 2 359.411 3.400 10 5 FGBELO Cn1cc([C@H]2CCC[N@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cn1 ZINC000171360889 705382203 /nfs/dbraw/zinc/38/22/03/705382203.db2.gz VRTZXTARDRFLPE-CYBMUJFWSA-N 1 2 359.411 3.400 10 5 FGBELO Cc1cc(NC[C@@](C)(O)c2ccco2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000078375611 494288915 /nfs/dbraw/zinc/28/89/15/494288915.db2.gz LDMZNEHLTDTFIL-GOSISDBHSA-N 1 2 354.366 3.273 10 5 FGBELO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116298892 494755327 /nfs/dbraw/zinc/75/53/27/494755327.db2.gz FYONDAFMPBWVCZ-OAHLLOKOSA-N 1 2 359.382 3.362 10 5 FGBELO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116298892 494755334 /nfs/dbraw/zinc/75/53/34/494755334.db2.gz FYONDAFMPBWVCZ-OAHLLOKOSA-N 1 2 359.382 3.362 10 5 FGBELO COc1ccc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000173933009 495752583 /nfs/dbraw/zinc/75/25/83/495752583.db2.gz RAWSYKQDSGIVBX-CYBMUJFWSA-N 1 2 366.377 3.280 10 5 FGBELO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000173947983 495759582 /nfs/dbraw/zinc/75/95/82/495759582.db2.gz GJCDATIZQDBTJN-AWEZNQCLSA-N 1 2 366.377 3.037 10 5 FGBELO COc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c([N+](=O)[O-])cc1F ZINC000184207751 496286199 /nfs/dbraw/zinc/28/61/99/496286199.db2.gz HJKKHLOWGWYERW-OAHLLOKOSA-N 1 2 362.405 3.430 10 5 FGBELO COc1cc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c([N+](=O)[O-])cc1F ZINC000184207751 496286202 /nfs/dbraw/zinc/28/62/02/496286202.db2.gz HJKKHLOWGWYERW-OAHLLOKOSA-N 1 2 362.405 3.430 10 5 FGBELO Cc1csc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000195332002 496893364 /nfs/dbraw/zinc/89/33/64/496893364.db2.gz ZFODFSGTZOPUEC-CQSZACIVSA-N 1 2 374.466 3.486 10 5 FGBELO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000195332002 496893372 /nfs/dbraw/zinc/89/33/72/496893372.db2.gz ZFODFSGTZOPUEC-CQSZACIVSA-N 1 2 374.466 3.486 10 5 FGBELO Cc1cc(NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423992 498104040 /nfs/dbraw/zinc/10/40/40/498104040.db2.gz GHSAZWWJNWSHOO-ZFWWWQNUSA-N 1 2 362.455 3.234 10 5 FGBELO Cc1cc(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423992 498104047 /nfs/dbraw/zinc/10/40/47/498104047.db2.gz GHSAZWWJNWSHOO-ZFWWWQNUSA-N 1 2 362.455 3.234 10 5 FGBELO Cc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCOCC2)s1 ZINC000301443571 498113161 /nfs/dbraw/zinc/11/31/61/498113161.db2.gz PYIZDZZWQMEHIL-HNNXBMFYSA-N 1 2 362.455 3.154 10 5 FGBELO C[C@@H]1CN(c2ccc(CNc3cc(F)ccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000302788448 498576128 /nfs/dbraw/zinc/57/61/28/498576128.db2.gz CIRVCUUTQDCQMQ-CHWSQXEVSA-N 1 2 360.389 3.355 10 5 FGBELO O=[N+]([O-])c1ccc(F)cc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000302790783 498576148 /nfs/dbraw/zinc/57/61/48/498576148.db2.gz ACOSRZJDPNZWMZ-OAHLLOKOSA-N 1 2 351.403 3.281 10 5 FGBELO Cc1cc(N2CCC[C@@H]2c2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000108945884 494808700 /nfs/dbraw/zinc/80/87/00/494808700.db2.gz FHBPRQFELQXGHK-QGZVFWFLSA-N 1 2 364.409 3.435 10 5 FGBELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000109650378 494901605 /nfs/dbraw/zinc/90/16/05/494901605.db2.gz KMGUJXXSHQHIHY-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000109650378 494901606 /nfs/dbraw/zinc/90/16/06/494901606.db2.gz KMGUJXXSHQHIHY-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO CCOC(=O)[C@]1(C)CCN(c2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000154898727 495765609 /nfs/dbraw/zinc/76/56/09/495765609.db2.gz NYLBUVSEMVPKPW-LJQANCHMSA-N 1 2 370.409 3.140 10 5 FGBELO CC[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175778150 496540434 /nfs/dbraw/zinc/54/04/34/496540434.db2.gz ZXQNTMHTRDUCMT-MRXNPFEDSA-N 1 2 357.414 3.006 10 5 FGBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000195361488 496901705 /nfs/dbraw/zinc/90/17/05/496901705.db2.gz CHSHUMVNUWPTTK-GDBMZVCRSA-N 1 2 363.439 3.018 10 5 FGBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000195361488 496901710 /nfs/dbraw/zinc/90/17/10/496901710.db2.gz CHSHUMVNUWPTTK-GDBMZVCRSA-N 1 2 363.439 3.018 10 5 FGBELO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000246880448 497818353 /nfs/dbraw/zinc/81/83/53/497818353.db2.gz FYNNOHRLCJGTPQ-DOMZBBRYSA-N 1 2 359.382 3.361 10 5 FGBELO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000246880448 497818354 /nfs/dbraw/zinc/81/83/54/497818354.db2.gz FYNNOHRLCJGTPQ-DOMZBBRYSA-N 1 2 359.382 3.361 10 5 FGBELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000122598283 495001356 /nfs/dbraw/zinc/00/13/56/495001356.db2.gz TZRPQNBMHIVWAX-GOSISDBHSA-N 1 2 372.469 3.433 10 5 FGBELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000122598283 495001359 /nfs/dbraw/zinc/00/13/59/495001359.db2.gz TZRPQNBMHIVWAX-GOSISDBHSA-N 1 2 372.469 3.433 10 5 FGBELO Cc1c(C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)cccc1[N+](=O)[O-] ZINC000106144500 495419439 /nfs/dbraw/zinc/41/94/39/495419439.db2.gz UQAQGLOWTBOVNJ-UHFFFAOYSA-N 1 2 371.485 3.173 10 5 FGBELO Cc1c(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)cccc1[N+](=O)[O-] ZINC000106144500 495419440 /nfs/dbraw/zinc/41/94/40/495419440.db2.gz UQAQGLOWTBOVNJ-UHFFFAOYSA-N 1 2 371.485 3.173 10 5 FGBELO COc1cccc(N2CCC[N@H+](Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC000185371274 495551684 /nfs/dbraw/zinc/55/16/84/495551684.db2.gz DODXPVRWTBYJQF-UHFFFAOYSA-N 1 2 362.455 3.081 10 5 FGBELO COc1cccc(N2CCC[N@@H+](Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC000185371274 495551688 /nfs/dbraw/zinc/55/16/88/495551688.db2.gz DODXPVRWTBYJQF-UHFFFAOYSA-N 1 2 362.455 3.081 10 5 FGBELO CCc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182753269 495689209 /nfs/dbraw/zinc/68/92/09/495689209.db2.gz ANKLKPAEJHBUHH-GJZGRUSLSA-N 1 2 373.457 3.288 10 5 FGBELO CCn1cc[nH+]c1CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000157146747 496416550 /nfs/dbraw/zinc/41/65/50/496416550.db2.gz IPEKTPGVCGBSMQ-UHFFFAOYSA-N 1 2 358.427 3.382 10 5 FGBELO Cc1csc([C@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000195331956 496892986 /nfs/dbraw/zinc/89/29/86/496892986.db2.gz VGHYGIJAXDKGOK-AWEZNQCLSA-N 1 2 374.466 3.486 10 5 FGBELO Cc1csc([C@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000195331956 496892991 /nfs/dbraw/zinc/89/29/91/496892991.db2.gz VGHYGIJAXDKGOK-AWEZNQCLSA-N 1 2 374.466 3.486 10 5 FGBELO CC(C)n1cc[nH+]c1C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130722467 495434885 /nfs/dbraw/zinc/43/48/85/495434885.db2.gz KDAZWJHMHAVARM-SANMLTNESA-N 1 2 374.422 3.476 10 5 FGBELO CC1(C)CO[C@H](c2ccccc2Cl)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176239909 495558776 /nfs/dbraw/zinc/55/87/76/495558776.db2.gz HNOXEMGAFQERQE-HNNXBMFYSA-N 1 2 364.833 3.297 10 5 FGBELO CC1(C)CO[C@H](c2ccccc2Cl)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176239909 495558783 /nfs/dbraw/zinc/55/87/83/495558783.db2.gz HNOXEMGAFQERQE-HNNXBMFYSA-N 1 2 364.833 3.297 10 5 FGBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000253360111 497328649 /nfs/dbraw/zinc/32/86/49/497328649.db2.gz CHSHUMVNUWPTTK-ZBFHGGJFSA-N 1 2 363.439 3.018 10 5 FGBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000253360111 497328653 /nfs/dbraw/zinc/32/86/53/497328653.db2.gz CHSHUMVNUWPTTK-ZBFHGGJFSA-N 1 2 363.439 3.018 10 5 FGBELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)cs1 ZINC000194605881 497716876 /nfs/dbraw/zinc/71/68/76/497716876.db2.gz PUFWPGXYKRRAEU-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1nc(C[N@H+]2CCCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)cs1 ZINC000194605881 497716881 /nfs/dbraw/zinc/71/68/81/497716881.db2.gz PUFWPGXYKRRAEU-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCOCC2)s1 ZINC000301443572 498113622 /nfs/dbraw/zinc/11/36/22/498113622.db2.gz PYIZDZZWQMEHIL-OAHLLOKOSA-N 1 2 362.455 3.154 10 5 FGBELO O=[N+]([O-])c1ccc(CO)cc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000302077377 257383569 /nfs/dbraw/zinc/38/35/69/257383569.db2.gz YSMSFDOZZYNKPK-UHFFFAOYSA-N 1 2 361.829 3.063 10 5 FGBELO O=[N+]([O-])c1ccc(NCc2[nH+]ccn2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000078498924 494309190 /nfs/dbraw/zinc/30/91/90/494309190.db2.gz PVOSOGKFESIVIT-UHFFFAOYSA-N 1 2 353.338 3.360 10 5 FGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)cs2)c1 ZINC000119482211 495175098 /nfs/dbraw/zinc/17/50/98/495175098.db2.gz RVGCZRLGKWDAOJ-MRXNPFEDSA-N 1 2 370.438 3.147 10 5 FGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](n4cncn4)C3)cs2)c1 ZINC000119482211 495175100 /nfs/dbraw/zinc/17/51/00/495175100.db2.gz RVGCZRLGKWDAOJ-MRXNPFEDSA-N 1 2 370.438 3.147 10 5 FGBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000173941182 495755119 /nfs/dbraw/zinc/75/51/19/495755119.db2.gz FOSXRUZLPRRTTA-LBPRGKRZSA-N 1 2 354.341 3.411 10 5 FGBELO Cc1cc(N[C@H]2c3ccccc3C[C@H]2O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301219871 498004904 /nfs/dbraw/zinc/00/49/04/498004904.db2.gz AMQRXHYIAGMOGN-MJGOQNOKSA-N 1 2 362.389 3.430 10 5 FGBELO CC[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000302057414 498388635 /nfs/dbraw/zinc/38/86/35/498388635.db2.gz ZUUMBXXBSSCLIC-QWRGUYRKSA-N 1 2 362.257 3.183 10 5 FGBELO CC[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000302057414 498388641 /nfs/dbraw/zinc/38/86/41/498388641.db2.gz ZUUMBXXBSSCLIC-QWRGUYRKSA-N 1 2 362.257 3.183 10 5 FGBELO CCc1noc([C@H](C)N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182753304 495688942 /nfs/dbraw/zinc/68/89/42/495688942.db2.gz ANKLKPAEJHBUHH-CABCVRRESA-N 1 2 373.457 3.288 10 5 FGBELO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000179808369 495742928 /nfs/dbraw/zinc/74/29/28/495742928.db2.gz UTALIMAWPYOSGL-FZMZJTMJSA-N 1 2 371.401 3.201 10 5 FGBELO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000174248218 495881642 /nfs/dbraw/zinc/88/16/42/495881642.db2.gz DRSOHYWHDUMQDB-UHFFFAOYSA-N 1 2 358.398 3.293 10 5 FGBELO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000301549053 498157392 /nfs/dbraw/zinc/15/73/92/498157392.db2.gz LUSNERUSBSZLDP-LBPRGKRZSA-N 1 2 351.204 3.223 10 5 FGBELO Cc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000080674409 494765085 /nfs/dbraw/zinc/76/50/85/494765085.db2.gz YAONBPJYSNFICN-AWEZNQCLSA-N 1 2 369.425 3.172 10 5 FGBELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000109650332 494900917 /nfs/dbraw/zinc/90/09/17/494900917.db2.gz RTNQNHODLUVRPS-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000109650332 494900920 /nfs/dbraw/zinc/90/09/20/494900920.db2.gz RTNQNHODLUVRPS-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000133638138 495039679 /nfs/dbraw/zinc/03/96/79/495039679.db2.gz NFZLTNKIRBGAMN-GFCCVEGCSA-N 1 2 354.341 3.411 10 5 FGBELO COc1cc(C[N@@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180069701 495844025 /nfs/dbraw/zinc/84/40/25/495844025.db2.gz FFGCBMFPKXTQFF-SNVBAGLBSA-N 1 2 362.398 3.185 10 5 FGBELO COc1cc(C[N@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180069701 495844031 /nfs/dbraw/zinc/84/40/31/495844031.db2.gz FFGCBMFPKXTQFF-SNVBAGLBSA-N 1 2 362.398 3.185 10 5 FGBELO Cc1ccc([C@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+]2CCOCC2)s1 ZINC000192791570 497215050 /nfs/dbraw/zinc/21/50/50/497215050.db2.gz RTUPQTHXJGTJIR-INIZCTEOSA-N 1 2 362.455 3.032 10 5 FGBELO Cn1cc([C@@H]2CCC[N@@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cn1 ZINC000171360883 705382206 /nfs/dbraw/zinc/38/22/06/705382206.db2.gz VRTZXTARDRFLPE-ZDUSSCGKSA-N 1 2 359.411 3.400 10 5 FGBELO Cn1cc([C@@H]2CCC[N@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cn1 ZINC000171360883 705382208 /nfs/dbraw/zinc/38/22/08/705382208.db2.gz VRTZXTARDRFLPE-ZDUSSCGKSA-N 1 2 359.411 3.400 10 5 FGBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000092811029 494755529 /nfs/dbraw/zinc/75/55/29/494755529.db2.gz JWADBMKGSJBXQD-UHFFFAOYSA-N 1 2 352.341 3.299 10 5 FGBELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000114201400 495354045 /nfs/dbraw/zinc/35/40/45/495354045.db2.gz RHVRDUJZYCNLJY-AWEZNQCLSA-N 1 2 363.805 3.137 10 5 FGBELO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000114201400 495354049 /nfs/dbraw/zinc/35/40/49/495354049.db2.gz RHVRDUJZYCNLJY-AWEZNQCLSA-N 1 2 363.805 3.137 10 5 FGBELO Cc1ncc(C[NH+]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000120429335 495376067 /nfs/dbraw/zinc/37/60/67/495376067.db2.gz JUDFPEKPXYBRLY-GQCTYLIASA-N 1 2 358.467 3.191 10 5 FGBELO C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000175168936 496276167 /nfs/dbraw/zinc/27/61/67/496276167.db2.gz ITAGBVUMUUGFAI-AWEZNQCLSA-N 1 2 365.393 3.341 10 5 FGBELO Cc1cc(N[C@H](C)C(=O)NC(C)(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301226216 498007819 /nfs/dbraw/zinc/00/78/19/498007819.db2.gz GPQYABXIIWKUTL-GFCCVEGCSA-N 1 2 357.414 3.075 10 5 FGBELO CC[C@H](C)NC(=O)[C@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301241978 498016526 /nfs/dbraw/zinc/01/65/26/498016526.db2.gz OPYBRMUCDZIBCS-AAEUAGOBSA-N 1 2 357.414 3.075 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000301283144 498037081 /nfs/dbraw/zinc/03/70/81/498037081.db2.gz YGNPGDUBQCZRCY-ZDUSSCGKSA-N 1 2 357.414 3.242 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000301283144 498037088 /nfs/dbraw/zinc/03/70/88/498037088.db2.gz YGNPGDUBQCZRCY-ZDUSSCGKSA-N 1 2 357.414 3.242 10 5 FGBELO CC[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000302057411 498388200 /nfs/dbraw/zinc/38/82/00/498388200.db2.gz ZUUMBXXBSSCLIC-GHMZBOCLSA-N 1 2 362.257 3.183 10 5 FGBELO CC[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000302057411 498388208 /nfs/dbraw/zinc/38/82/08/498388208.db2.gz ZUUMBXXBSSCLIC-GHMZBOCLSA-N 1 2 362.257 3.183 10 5 FGBELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cs1 ZINC000109651962 494902953 /nfs/dbraw/zinc/90/29/53/494902953.db2.gz BLGFWGKAFOHRJZ-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cs1 ZINC000109651962 494902957 /nfs/dbraw/zinc/90/29/57/494902957.db2.gz BLGFWGKAFOHRJZ-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO CC1(C)CO[C@H](c2ccccc2Cl)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857848 496136438 /nfs/dbraw/zinc/13/64/38/496136438.db2.gz HHZJRHGRVXLINU-INIZCTEOSA-N 1 2 364.833 3.297 10 5 FGBELO CC1(C)CO[C@H](c2ccccc2Cl)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857848 496136441 /nfs/dbraw/zinc/13/64/41/496136441.db2.gz HHZJRHGRVXLINU-INIZCTEOSA-N 1 2 364.833 3.297 10 5 FGBELO Cc1csc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000195336719 496894370 /nfs/dbraw/zinc/89/43/70/496894370.db2.gz MDFCHLWOOVWPAK-ZDUSSCGKSA-N 1 2 360.439 3.178 10 5 FGBELO Cc1csc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000195336719 496894375 /nfs/dbraw/zinc/89/43/75/496894375.db2.gz MDFCHLWOOVWPAK-ZDUSSCGKSA-N 1 2 360.439 3.178 10 5 FGBELO Cc1csc([C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000195396885 496911349 /nfs/dbraw/zinc/91/13/49/496911349.db2.gz XYUVKDLUYOVHSM-MRXNPFEDSA-N 1 2 363.439 3.202 10 5 FGBELO Cc1csc([C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000195396885 496911355 /nfs/dbraw/zinc/91/13/55/496911355.db2.gz XYUVKDLUYOVHSM-MRXNPFEDSA-N 1 2 363.439 3.202 10 5 FGBELO CC[C@@H](C)NC(=O)[C@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301241981 498016625 /nfs/dbraw/zinc/01/66/25/498016625.db2.gz OPYBRMUCDZIBCS-YPMHNXCESA-N 1 2 357.414 3.075 10 5 FGBELO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063702405 494077257 /nfs/dbraw/zinc/07/72/57/494077257.db2.gz WOGGIPILETYGQH-QGZVFWFLSA-N 1 2 369.421 3.085 10 5 FGBELO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063702405 494077261 /nfs/dbraw/zinc/07/72/61/494077261.db2.gz WOGGIPILETYGQH-QGZVFWFLSA-N 1 2 369.421 3.085 10 5 FGBELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000131478553 494633549 /nfs/dbraw/zinc/63/35/49/494633549.db2.gz NPNCAMIZPZBZBR-ZDUSSCGKSA-N 1 2 374.441 3.157 10 5 FGBELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000131478553 494633555 /nfs/dbraw/zinc/63/35/55/494633555.db2.gz NPNCAMIZPZBZBR-ZDUSSCGKSA-N 1 2 374.441 3.157 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116298956 494756294 /nfs/dbraw/zinc/75/62/94/494756294.db2.gz XRBUKJYGRLKIAG-IUODEOHRSA-N 1 2 359.382 3.361 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116298956 494756301 /nfs/dbraw/zinc/75/63/01/494756301.db2.gz XRBUKJYGRLKIAG-IUODEOHRSA-N 1 2 359.382 3.361 10 5 FGBELO Cc1cc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000080674404 494765211 /nfs/dbraw/zinc/76/52/11/494765211.db2.gz YAONBPJYSNFICN-CQSZACIVSA-N 1 2 369.425 3.172 10 5 FGBELO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)n2)cc1 ZINC000114200989 495354149 /nfs/dbraw/zinc/35/41/49/495354149.db2.gz INPVBLYETHBEIB-HNNXBMFYSA-N 1 2 354.370 3.095 10 5 FGBELO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3c3cn[nH]c3)n2)cc1 ZINC000114200989 495354153 /nfs/dbraw/zinc/35/41/53/495354153.db2.gz INPVBLYETHBEIB-HNNXBMFYSA-N 1 2 354.370 3.095 10 5 FGBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000253360110 497328313 /nfs/dbraw/zinc/32/83/13/497328313.db2.gz CHSHUMVNUWPTTK-HOCLYGCPSA-N 1 2 363.439 3.018 10 5 FGBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000253360110 497328316 /nfs/dbraw/zinc/32/83/16/497328316.db2.gz CHSHUMVNUWPTTK-HOCLYGCPSA-N 1 2 363.439 3.018 10 5 FGBELO CC[C@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090068892 494436025 /nfs/dbraw/zinc/43/60/25/494436025.db2.gz OUNZXEVBEQBRPR-GUYCJALGSA-N 1 2 352.398 3.372 10 5 FGBELO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000121299644 494689638 /nfs/dbraw/zinc/68/96/38/494689638.db2.gz CSVASSXNYXDDNT-CQSZACIVSA-N 1 2 373.457 3.288 10 5 FGBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000195511398 496946329 /nfs/dbraw/zinc/94/63/29/496946329.db2.gz POPZFJXBMYEHSL-QGZVFWFLSA-N 1 2 371.441 3.129 10 5 FGBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000195511398 496946331 /nfs/dbraw/zinc/94/63/31/496946331.db2.gz POPZFJXBMYEHSL-QGZVFWFLSA-N 1 2 371.441 3.129 10 5 FGBELO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170779222 495602073 /nfs/dbraw/zinc/60/20/73/495602073.db2.gz GLEVTTIMOAMACC-SFHVURJKSA-N 1 2 369.421 3.046 10 5 FGBELO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170779222 495602075 /nfs/dbraw/zinc/60/20/75/495602075.db2.gz GLEVTTIMOAMACC-SFHVURJKSA-N 1 2 369.421 3.046 10 5 FGBELO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173910804 495743545 /nfs/dbraw/zinc/74/35/45/495743545.db2.gz SKJXQVMHLGUVCR-CQSZACIVSA-N 1 2 350.378 3.200 10 5 FGBELO COc1cc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000173925973 495750760 /nfs/dbraw/zinc/75/07/60/495750760.db2.gz RQPCAIKCDMTWRD-ZDUSSCGKSA-N 1 2 366.377 3.280 10 5 FGBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000195511823 496947534 /nfs/dbraw/zinc/94/75/34/496947534.db2.gz FZUQSEIUWGDBND-QGZVFWFLSA-N 1 2 371.441 3.129 10 5 FGBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000195511823 496947536 /nfs/dbraw/zinc/94/75/36/496947536.db2.gz FZUQSEIUWGDBND-QGZVFWFLSA-N 1 2 371.441 3.129 10 5 FGBELO COc1ccc(F)cc1C[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302826553 498590718 /nfs/dbraw/zinc/59/07/18/498590718.db2.gz ASDPZSAIWWHPEQ-UHFFFAOYSA-N 1 2 363.364 3.204 10 5 FGBELO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000379708921 499543307 /nfs/dbraw/zinc/54/33/07/499543307.db2.gz WOGGIPILETYGQH-KRWDZBQOSA-N 1 2 369.421 3.085 10 5 FGBELO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000379708921 499543308 /nfs/dbraw/zinc/54/33/08/499543308.db2.gz WOGGIPILETYGQH-KRWDZBQOSA-N 1 2 369.421 3.085 10 5 FGBELO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)n2)cc1 ZINC000114200987 495354290 /nfs/dbraw/zinc/35/42/90/495354290.db2.gz INPVBLYETHBEIB-OAHLLOKOSA-N 1 2 354.370 3.095 10 5 FGBELO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)n2)cc1 ZINC000114200987 495354292 /nfs/dbraw/zinc/35/42/92/495354292.db2.gz INPVBLYETHBEIB-OAHLLOKOSA-N 1 2 354.370 3.095 10 5 FGBELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106210817 495431106 /nfs/dbraw/zinc/43/11/06/495431106.db2.gz GWTGJFFILTUQSA-WMLDXEAASA-N 1 2 371.441 3.109 10 5 FGBELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106210817 495431109 /nfs/dbraw/zinc/43/11/09/495431109.db2.gz GWTGJFFILTUQSA-WMLDXEAASA-N 1 2 371.441 3.109 10 5 FGBELO CC[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC000179676412 495688271 /nfs/dbraw/zinc/68/82/71/495688271.db2.gz QIYXHLJECCBZQQ-INIZCTEOSA-N 1 2 352.394 3.083 10 5 FGBELO CCc1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182753247 495689390 /nfs/dbraw/zinc/68/93/90/495689390.db2.gz ANKLKPAEJHBUHH-LSDHHAIUSA-N 1 2 373.457 3.288 10 5 FGBELO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000179808383 495743115 /nfs/dbraw/zinc/74/31/15/495743115.db2.gz UTALIMAWPYOSGL-SMDDNHRTSA-N 1 2 371.401 3.201 10 5 FGBELO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000173936288 495753985 /nfs/dbraw/zinc/75/39/85/495753985.db2.gz PHJQGGZENCQITB-AWEZNQCLSA-N 1 2 365.393 3.070 10 5 FGBELO CC[C@H]([NH2+]Cc1nnnn1-c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181562074 496446396 /nfs/dbraw/zinc/44/63/96/496446396.db2.gz OJBDDEMOOGTWKE-KRWDZBQOSA-N 1 2 366.425 3.428 10 5 FGBELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000153483880 496471416 /nfs/dbraw/zinc/47/14/16/496471416.db2.gz KDIMPQMLAMEWFV-KRWDZBQOSA-N 1 2 353.382 3.320 10 5 FGBELO Cn1cc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000153483880 496471422 /nfs/dbraw/zinc/47/14/22/496471422.db2.gz KDIMPQMLAMEWFV-KRWDZBQOSA-N 1 2 353.382 3.320 10 5 FGBELO Cc1ncc(C[NH+]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000255310629 497364032 /nfs/dbraw/zinc/36/40/32/497364032.db2.gz JUDFPEKPXYBRLY-XQRVVYSFSA-N 1 2 358.467 3.191 10 5 FGBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245446152 497411709 /nfs/dbraw/zinc/41/17/09/497411709.db2.gz KXZSVWCFERCSID-LRDDRELGSA-N 1 2 368.397 3.276 10 5 FGBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245446152 497411715 /nfs/dbraw/zinc/41/17/15/497411715.db2.gz KXZSVWCFERCSID-LRDDRELGSA-N 1 2 368.397 3.276 10 5 FGBELO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301235026 498013947 /nfs/dbraw/zinc/01/39/47/498013947.db2.gz LHMQWMAGKRAXFB-UHFFFAOYSA-N 1 2 364.409 3.398 10 5 FGBELO CN(C)c1cc(CNc2ccc([N+](=O)[O-])cc2Br)cc[nH+]1 ZINC000301348508 498067841 /nfs/dbraw/zinc/06/78/41/498067841.db2.gz LOXBSKWHVVFZLR-UHFFFAOYSA-N 1 2 351.204 3.430 10 5 FGBELO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000301549051 498158280 /nfs/dbraw/zinc/15/82/80/498158280.db2.gz LUSNERUSBSZLDP-GFCCVEGCSA-N 1 2 351.204 3.223 10 5 FGBELO CC(C)C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000179808408 495742515 /nfs/dbraw/zinc/74/25/15/495742515.db2.gz UTALIMAWPYOSGL-BXUZGUMPSA-N 1 2 371.401 3.201 10 5 FGBELO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000301652735 498207500 /nfs/dbraw/zinc/20/75/00/498207500.db2.gz QSGCGLMCSMRXEJ-OALUTQOASA-N 1 2 373.840 3.338 10 5 FGBELO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000301652735 498207505 /nfs/dbraw/zinc/20/75/05/498207505.db2.gz QSGCGLMCSMRXEJ-OALUTQOASA-N 1 2 373.840 3.338 10 5 FGBELO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174236276 705493517 /nfs/dbraw/zinc/49/35/17/705493517.db2.gz XHFAXVQIKIXMTA-GFCCVEGCSA-N 1 2 353.394 3.223 10 5 FGBELO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174236276 705493523 /nfs/dbraw/zinc/49/35/23/705493523.db2.gz XHFAXVQIKIXMTA-GFCCVEGCSA-N 1 2 353.394 3.223 10 5 FGBELO CC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090685928 494492797 /nfs/dbraw/zinc/49/27/97/494492797.db2.gz JQUVVXRBPICXLV-KRWDZBQOSA-N 1 2 357.414 3.289 10 5 FGBELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000122598010 495001431 /nfs/dbraw/zinc/00/14/31/495001431.db2.gz TZRPQNBMHIVWAX-SFHVURJKSA-N 1 2 372.469 3.433 10 5 FGBELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000122598010 495001434 /nfs/dbraw/zinc/00/14/34/495001434.db2.gz TZRPQNBMHIVWAX-SFHVURJKSA-N 1 2 372.469 3.433 10 5 FGBELO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176239922 495559293 /nfs/dbraw/zinc/55/92/93/495559293.db2.gz HNOXEMGAFQERQE-OAHLLOKOSA-N 1 2 364.833 3.297 10 5 FGBELO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176239922 495559297 /nfs/dbraw/zinc/55/92/97/495559297.db2.gz HNOXEMGAFQERQE-OAHLLOKOSA-N 1 2 364.833 3.297 10 5 FGBELO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000183646371 496060046 /nfs/dbraw/zinc/06/00/46/496060046.db2.gz NQRDQXVTBMQLTP-GFCCVEGCSA-N 1 2 352.354 3.058 10 5 FGBELO CC[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000175841588 496568750 /nfs/dbraw/zinc/56/87/50/496568750.db2.gz YZXKRRIDKWFBMB-INIZCTEOSA-N 1 2 357.414 3.242 10 5 FGBELO CCS[C@@H]1CC[C@@]1(O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301484578 498129658 /nfs/dbraw/zinc/12/96/58/498129658.db2.gz GSVFERGXARLDAY-CRAIPNDOSA-N 1 2 374.466 3.419 10 5 FGBELO C[C@H]1CN(c2ccc(CNc3cc(F)ccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000302788449 498576278 /nfs/dbraw/zinc/57/62/78/498576278.db2.gz CIRVCUUTQDCQMQ-STQMWFEESA-N 1 2 360.389 3.355 10 5 FGBELO O=[N+]([O-])c1c(Nc2cccc(C(F)(F)F)c2)ncnc1-n1cc[nH+]c1 ZINC000040648816 208261296 /nfs/dbraw/zinc/26/12/96/208261296.db2.gz CXHFMHDGVFCGCO-UHFFFAOYSA-N 1 2 350.260 3.333 10 5 FGBELO C[NH+](C)[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000302077440 257383494 /nfs/dbraw/zinc/38/34/94/257383494.db2.gz YVEQTDHCAFWWQC-INIZCTEOSA-N 1 2 351.353 3.080 10 5 FGBELO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116298895 494756617 /nfs/dbraw/zinc/75/66/17/494756617.db2.gz FYONDAFMPBWVCZ-HNNXBMFYSA-N 1 2 359.382 3.362 10 5 FGBELO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116298895 494756621 /nfs/dbraw/zinc/75/66/21/494756621.db2.gz FYONDAFMPBWVCZ-HNNXBMFYSA-N 1 2 359.382 3.362 10 5 FGBELO Cc1ccc([C@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)s1 ZINC000124846277 495353102 /nfs/dbraw/zinc/35/31/02/495353102.db2.gz DVGUAPKDKMDVRK-HNNXBMFYSA-N 1 2 362.455 3.154 10 5 FGBELO CCOc1ccc([N+](=O)[O-])cc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000175211147 496292563 /nfs/dbraw/zinc/29/25/63/496292563.db2.gz RSMHXIQKASSXKH-UHFFFAOYSA-N 1 2 358.442 3.409 10 5 FGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000175211147 496292567 /nfs/dbraw/zinc/29/25/67/496292567.db2.gz RSMHXIQKASSXKH-UHFFFAOYSA-N 1 2 358.442 3.409 10 5 FGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000175211147 496292569 /nfs/dbraw/zinc/29/25/69/496292569.db2.gz RSMHXIQKASSXKH-UHFFFAOYSA-N 1 2 358.442 3.409 10 5 FGBELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247568566 496891345 /nfs/dbraw/zinc/89/13/45/496891345.db2.gz GWTGJFFILTUQSA-RHSMWYFYSA-N 1 2 371.441 3.109 10 5 FGBELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247568566 496891346 /nfs/dbraw/zinc/89/13/46/496891346.db2.gz GWTGJFFILTUQSA-RHSMWYFYSA-N 1 2 371.441 3.109 10 5 FGBELO CCS[C@H]1CC[C@@]1(O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301484579 498129509 /nfs/dbraw/zinc/12/95/09/498129509.db2.gz GSVFERGXARLDAY-MAUKXSAKSA-N 1 2 374.466 3.419 10 5 FGBELO Cc1ccc(C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)cc1[N+](=O)[O-] ZINC000121478266 494775365 /nfs/dbraw/zinc/77/53/65/494775365.db2.gz PNRMLEMDAFVNTP-UHFFFAOYSA-N 1 2 371.485 3.173 10 5 FGBELO Cc1ccc(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)cc1[N+](=O)[O-] ZINC000121478266 494775373 /nfs/dbraw/zinc/77/53/73/494775373.db2.gz PNRMLEMDAFVNTP-UHFFFAOYSA-N 1 2 371.485 3.173 10 5 FGBELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104682574 495296788 /nfs/dbraw/zinc/29/67/88/495296788.db2.gz PXGUHGMMYSCBIB-MRXNPFEDSA-N 1 2 363.458 3.263 10 5 FGBELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104682574 495296791 /nfs/dbraw/zinc/29/67/91/495296791.db2.gz PXGUHGMMYSCBIB-MRXNPFEDSA-N 1 2 363.458 3.263 10 5 FGBELO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000173936300 495754587 /nfs/dbraw/zinc/75/45/87/495754587.db2.gz PHJQGGZENCQITB-CQSZACIVSA-N 1 2 365.393 3.070 10 5 FGBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173315936 496639778 /nfs/dbraw/zinc/63/97/78/496639778.db2.gz KXZSVWCFERCSID-MLGOLLRUSA-N 1 2 368.397 3.276 10 5 FGBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173315936 496639783 /nfs/dbraw/zinc/63/97/83/496639783.db2.gz KXZSVWCFERCSID-MLGOLLRUSA-N 1 2 368.397 3.276 10 5 FGBELO CCc1csc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000195383260 496907649 /nfs/dbraw/zinc/90/76/49/496907649.db2.gz NRBSCESJOOTNSX-CYBMUJFWSA-N 1 2 374.466 3.432 10 5 FGBELO CCc1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000195383260 496907652 /nfs/dbraw/zinc/90/76/52/496907652.db2.gz NRBSCESJOOTNSX-CYBMUJFWSA-N 1 2 374.466 3.432 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121078641 494582904 /nfs/dbraw/zinc/58/29/04/494582904.db2.gz JKMUQALNCGXTMO-SUMWQHHRSA-N 1 2 364.348 3.060 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121078641 494582907 /nfs/dbraw/zinc/58/29/07/494582907.db2.gz JKMUQALNCGXTMO-SUMWQHHRSA-N 1 2 364.348 3.060 10 5 FGBELO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000185754503 495712189 /nfs/dbraw/zinc/71/21/89/495712189.db2.gz PGRDMXYJXQNLLF-SOFGYWHQSA-N 1 2 365.393 3.095 10 5 FGBELO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000185754503 495712195 /nfs/dbraw/zinc/71/21/95/495712195.db2.gz PGRDMXYJXQNLLF-SOFGYWHQSA-N 1 2 365.393 3.095 10 5 FGBELO CC(C)C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000179808599 495742686 /nfs/dbraw/zinc/74/26/86/495742686.db2.gz NRHDDMPBCVIKIT-SMDDNHRTSA-N 1 2 371.401 3.201 10 5 FGBELO CN(C)c1ccc([NH+]2CCC(Nc3cc(CO)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302061605 498391252 /nfs/dbraw/zinc/39/12/52/498391252.db2.gz SEVPAYHWSBIGAF-UHFFFAOYSA-N 1 2 370.453 3.234 10 5 FGBELO C[NH+](C)c1ccc(N2CCC(Nc3cc(CO)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302061605 498391261 /nfs/dbraw/zinc/39/12/61/498391261.db2.gz SEVPAYHWSBIGAF-UHFFFAOYSA-N 1 2 370.453 3.234 10 5 FGBELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174236264 705493715 /nfs/dbraw/zinc/49/37/15/705493715.db2.gz XHFAXVQIKIXMTA-LBPRGKRZSA-N 1 2 353.394 3.223 10 5 FGBELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174236264 705493719 /nfs/dbraw/zinc/49/37/19/705493719.db2.gz XHFAXVQIKIXMTA-LBPRGKRZSA-N 1 2 353.394 3.223 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116298955 494754878 /nfs/dbraw/zinc/75/48/78/494754878.db2.gz XRBUKJYGRLKIAG-SWLSCSKDSA-N 1 2 359.382 3.361 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116298955 494754885 /nfs/dbraw/zinc/75/48/85/494754885.db2.gz XRBUKJYGRLKIAG-SWLSCSKDSA-N 1 2 359.382 3.361 10 5 FGBELO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000133637934 495039698 /nfs/dbraw/zinc/03/96/98/495039698.db2.gz NFZLTNKIRBGAMN-LBPRGKRZSA-N 1 2 354.341 3.411 10 5 FGBELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106210814 495431662 /nfs/dbraw/zinc/43/16/62/495431662.db2.gz GWTGJFFILTUQSA-YOEHRIQHSA-N 1 2 371.441 3.109 10 5 FGBELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106210814 495431663 /nfs/dbraw/zinc/43/16/63/495431663.db2.gz GWTGJFFILTUQSA-YOEHRIQHSA-N 1 2 371.441 3.109 10 5 FGBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000195361491 496902093 /nfs/dbraw/zinc/90/20/93/496902093.db2.gz CHSHUMVNUWPTTK-GOEBONIOSA-N 1 2 363.439 3.018 10 5 FGBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000195361491 496902095 /nfs/dbraw/zinc/90/20/95/496902095.db2.gz CHSHUMVNUWPTTK-GOEBONIOSA-N 1 2 363.439 3.018 10 5 FGBELO CC[N@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000263533063 497796972 /nfs/dbraw/zinc/79/69/72/497796972.db2.gz XPNCJUOZXIPWIP-UHFFFAOYSA-N 1 2 363.458 3.089 10 5 FGBELO CC[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000263533063 497796974 /nfs/dbraw/zinc/79/69/74/497796974.db2.gz XPNCJUOZXIPWIP-UHFFFAOYSA-N 1 2 363.458 3.089 10 5 FGBELO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000246709751 497802276 /nfs/dbraw/zinc/80/22/76/497802276.db2.gz NKKRBEXPHMDUTQ-BBRMVZONSA-N 1 2 364.348 3.190 10 5 FGBELO COc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000246709751 497802277 /nfs/dbraw/zinc/80/22/77/497802277.db2.gz NKKRBEXPHMDUTQ-BBRMVZONSA-N 1 2 364.348 3.190 10 5 FGBELO Cc1cc(NCc2ccnc3ccnn32)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000302028336 498374876 /nfs/dbraw/zinc/37/48/76/498374876.db2.gz HQJJMRQQUZGDIK-UHFFFAOYSA-N 1 2 361.365 3.015 10 5 FGBELO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000183776267 705902066 /nfs/dbraw/zinc/90/20/66/705902066.db2.gz TZWQXOKBLQTPNA-VIFPVBQESA-N 1 2 351.765 3.337 10 5 FGBELO Cc1cc(C[C@@H](C)Nc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000133528387 495024378 /nfs/dbraw/zinc/02/43/78/495024378.db2.gz GCLPWGYGGKPMGW-LLVKDONJSA-N 1 2 352.398 3.435 10 5 FGBELO Cc1cc(C[C@@H](C)Nc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)[nH]n1 ZINC000133528387 495024381 /nfs/dbraw/zinc/02/43/81/495024381.db2.gz GCLPWGYGGKPMGW-LLVKDONJSA-N 1 2 352.398 3.435 10 5 FGBELO CC[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC000179676424 495687581 /nfs/dbraw/zinc/68/75/81/495687581.db2.gz QIYXHLJECCBZQQ-MRXNPFEDSA-N 1 2 352.394 3.083 10 5 FGBELO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173923534 495749197 /nfs/dbraw/zinc/74/91/97/495749197.db2.gz IQHXIIJICRVLAN-ZDUSSCGKSA-N 1 2 366.377 3.280 10 5 FGBELO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175262084 496313808 /nfs/dbraw/zinc/31/38/08/496313808.db2.gz GHWROBPVEXINRI-CQSZACIVSA-N 1 2 365.393 3.341 10 5 FGBELO CC[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175778130 496540639 /nfs/dbraw/zinc/54/06/39/496540639.db2.gz ZXQNTMHTRDUCMT-INIZCTEOSA-N 1 2 357.414 3.006 10 5 FGBELO Cc1ncc(C[NH+]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)s1 ZINC000153795812 705012010 /nfs/dbraw/zinc/01/20/10/705012010.db2.gz WCQWSRJDDUNUJX-UHFFFAOYSA-N 1 2 366.874 3.331 10 5 FGBELO CC[C@H](NC(=O)NCc1[nH+]ccn1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090592341 494485268 /nfs/dbraw/zinc/48/52/68/494485268.db2.gz GDDYLRONURMDLP-INIZCTEOSA-N 1 2 359.430 3.398 10 5 FGBELO COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000121153917 494621190 /nfs/dbraw/zinc/62/11/90/494621190.db2.gz NKKRBEXPHMDUTQ-CZUORRHYSA-N 1 2 364.348 3.190 10 5 FGBELO COc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000121153917 494621197 /nfs/dbraw/zinc/62/11/97/494621197.db2.gz NKKRBEXPHMDUTQ-CZUORRHYSA-N 1 2 364.348 3.190 10 5 FGBELO CC[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000128586171 495120064 /nfs/dbraw/zinc/12/00/64/495120064.db2.gz HBFHJGKEPSYDJY-DOTOQJQBSA-N 1 2 369.425 3.019 10 5 FGBELO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173910796 495743675 /nfs/dbraw/zinc/74/36/75/495743675.db2.gz SKJXQVMHLGUVCR-AWEZNQCLSA-N 1 2 350.378 3.200 10 5 FGBELO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857860 496136510 /nfs/dbraw/zinc/13/65/10/496136510.db2.gz HHZJRHGRVXLINU-MRXNPFEDSA-N 1 2 364.833 3.297 10 5 FGBELO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174857860 496136517 /nfs/dbraw/zinc/13/65/17/496136517.db2.gz HHZJRHGRVXLINU-MRXNPFEDSA-N 1 2 364.833 3.297 10 5 FGBELO Cc1cc(N(C)CCc2nccs2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000157795214 496556641 /nfs/dbraw/zinc/55/66/41/496556641.db2.gz LWZCPMVPAUGAFU-UHFFFAOYSA-N 1 2 355.423 3.496 10 5 FGBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505784 496944557 /nfs/dbraw/zinc/94/45/57/496944557.db2.gz LZLUMTONYFFGNE-GFCCVEGCSA-N 1 2 368.397 3.309 10 5 FGBELO Cc1ccc([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+]2CCOCC2)s1 ZINC000192791554 497214605 /nfs/dbraw/zinc/21/46/05/497214605.db2.gz RTUPQTHXJGTJIR-MRXNPFEDSA-N 1 2 362.455 3.032 10 5 FGBELO COC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000301206540 497999432 /nfs/dbraw/zinc/99/94/32/497999432.db2.gz ZLFHXIBYCCHTKP-AWEZNQCLSA-N 1 2 371.397 3.003 10 5 FGBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1 ZINC000172245209 496225255 /nfs/dbraw/zinc/22/52/55/496225255.db2.gz HUVZMWVBOCJPTN-HNNXBMFYSA-N 1 2 352.350 3.351 10 5 FGBELO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000182225775 496713773 /nfs/dbraw/zinc/71/37/73/496713773.db2.gz OWIIPIDXBHQVIM-DZGCQCFKSA-N 1 2 363.439 3.018 10 5 FGBELO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000182225775 496713776 /nfs/dbraw/zinc/71/37/76/496713776.db2.gz OWIIPIDXBHQVIM-DZGCQCFKSA-N 1 2 363.439 3.018 10 5 FGBELO C[NH+](C)[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000302077441 257383464 /nfs/dbraw/zinc/38/34/64/257383464.db2.gz YVEQTDHCAFWWQC-MRXNPFEDSA-N 1 2 351.353 3.080 10 5 FGBELO CC[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090620095 494488486 /nfs/dbraw/zinc/48/84/86/494488486.db2.gz HBFHJGKEPSYDJY-RDJZCZTQSA-N 1 2 369.425 3.019 10 5 FGBELO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116298462 494755940 /nfs/dbraw/zinc/75/59/40/494755940.db2.gz FYNNOHRLCJGTPQ-SWLSCSKDSA-N 1 2 359.382 3.361 10 5 FGBELO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116298462 494755949 /nfs/dbraw/zinc/75/59/49/494755949.db2.gz FYNNOHRLCJGTPQ-SWLSCSKDSA-N 1 2 359.382 3.361 10 5 FGBELO Cc1ccc2oc(N3CC[NH+](Cc4ccc([N+](=O)[O-])cc4)CC3)nc2c1 ZINC000106095044 495414106 /nfs/dbraw/zinc/41/41/06/495414106.db2.gz ITILPSMAKNWHDA-UHFFFAOYSA-N 1 2 352.394 3.367 10 5 FGBELO Cc1ccc2oc(N3CC[NH+](Cc4ccccc4[N+](=O)[O-])CC3)nc2c1 ZINC000106095715 495414158 /nfs/dbraw/zinc/41/41/58/495414158.db2.gz KTVOSUCNCPUPSR-UHFFFAOYSA-N 1 2 352.394 3.367 10 5 FGBELO CC(C)C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000179808627 495742648 /nfs/dbraw/zinc/74/26/48/495742648.db2.gz NRHDDMPBCVIKIT-BXUZGUMPSA-N 1 2 371.401 3.201 10 5 FGBELO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173947623 495757567 /nfs/dbraw/zinc/75/75/67/495757567.db2.gz LXCNLZUFJHEAHO-CQSZACIVSA-N 1 2 350.378 3.200 10 5 FGBELO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000154053754 496668547 /nfs/dbraw/zinc/66/85/47/496668547.db2.gz KPRKRWNHOSDTQD-QWHCGFSZSA-N 1 2 359.430 3.333 10 5 FGBELO Cc1ncc(C[NH+]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)s1 ZINC000116277871 494749940 /nfs/dbraw/zinc/74/99/40/494749940.db2.gz WHFPKSWPJYEQPO-UHFFFAOYSA-N 1 2 366.874 3.331 10 5 FGBELO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173936378 495754063 /nfs/dbraw/zinc/75/40/63/495754063.db2.gz NPOXTRPOLYLYDM-CYBMUJFWSA-N 1 2 366.377 3.280 10 5 FGBELO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173949175 495759089 /nfs/dbraw/zinc/75/90/89/495759089.db2.gz SVWWNEQEYQDVIG-AWEZNQCLSA-N 1 2 366.377 3.037 10 5 FGBELO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175262068 496313778 /nfs/dbraw/zinc/31/37/78/496313778.db2.gz GHWROBPVEXINRI-AWEZNQCLSA-N 1 2 365.393 3.341 10 5 FGBELO Cc1cc(N2CCC[C@@H](n3cccn3)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301178220 497985470 /nfs/dbraw/zinc/98/54/70/497985470.db2.gz MDMYVNMLNGXTGA-QGZVFWFLSA-N 1 2 364.409 3.398 10 5 FGBELO Cc1cc(NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423990 498103930 /nfs/dbraw/zinc/10/39/30/498103930.db2.gz GHSAZWWJNWSHOO-UKRRQHHQSA-N 1 2 362.455 3.234 10 5 FGBELO Cc1cc(NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423990 498103934 /nfs/dbraw/zinc/10/39/34/498103934.db2.gz GHSAZWWJNWSHOO-UKRRQHHQSA-N 1 2 362.455 3.234 10 5 FGBELO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000173947994 495759126 /nfs/dbraw/zinc/75/91/26/495759126.db2.gz GJCDATIZQDBTJN-CQSZACIVSA-N 1 2 366.377 3.037 10 5 FGBELO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)n1 ZINC000246945760 496732329 /nfs/dbraw/zinc/73/23/29/496732329.db2.gz HZWHYBRFMGBDCE-DZGCQCFKSA-N 1 2 362.455 3.234 10 5 FGBELO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000246945760 496732334 /nfs/dbraw/zinc/73/23/34/496732334.db2.gz HZWHYBRFMGBDCE-DZGCQCFKSA-N 1 2 362.455 3.234 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195511563 496947278 /nfs/dbraw/zinc/94/72/78/496947278.db2.gz BLHMRUVKZORPOD-INIZCTEOSA-N 1 2 371.441 3.129 10 5 FGBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195511563 496947283 /nfs/dbraw/zinc/94/72/83/496947283.db2.gz BLHMRUVKZORPOD-INIZCTEOSA-N 1 2 371.441 3.129 10 5 FGBELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000131968587 494787880 /nfs/dbraw/zinc/78/78/80/494787880.db2.gz MTBZJRADIGKULB-AWEZNQCLSA-N 1 2 352.341 3.267 10 5 FGBELO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000131968587 494787885 /nfs/dbraw/zinc/78/78/85/494787885.db2.gz MTBZJRADIGKULB-AWEZNQCLSA-N 1 2 352.341 3.267 10 5 FGBELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000106210172 495431708 /nfs/dbraw/zinc/43/17/08/495431708.db2.gz LQAMBBIZMNOHPW-QGZVFWFLSA-N 1 2 371.441 3.029 10 5 FGBELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000106210172 495431711 /nfs/dbraw/zinc/43/17/11/495431711.db2.gz LQAMBBIZMNOHPW-QGZVFWFLSA-N 1 2 371.441 3.029 10 5 FGBELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247568557 496891308 /nfs/dbraw/zinc/89/13/08/496891308.db2.gz GWTGJFFILTUQSA-PBHICJAKSA-N 1 2 371.441 3.109 10 5 FGBELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247568557 496891310 /nfs/dbraw/zinc/89/13/10/496891310.db2.gz GWTGJFFILTUQSA-PBHICJAKSA-N 1 2 371.441 3.109 10 5 FGBELO Cc1cc(NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423989 498103978 /nfs/dbraw/zinc/10/39/78/498103978.db2.gz GHSAZWWJNWSHOO-HIFRSBDPSA-N 1 2 362.455 3.234 10 5 FGBELO Cc1cc(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423989 498103980 /nfs/dbraw/zinc/10/39/80/498103980.db2.gz GHSAZWWJNWSHOO-HIFRSBDPSA-N 1 2 362.455 3.234 10 5 FGBELO Cc1cc(N2CCC[C@@H]2Cn2cc[nH+]c2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301584933 498175568 /nfs/dbraw/zinc/17/55/68/498175568.db2.gz VUNGQIMHZMUGOT-QGZVFWFLSA-N 1 2 364.409 3.226 10 5 FGBELO Cc1cc(N2CCC[C@H](n3cccn3)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301178219 497985712 /nfs/dbraw/zinc/98/57/12/497985712.db2.gz MDMYVNMLNGXTGA-KRWDZBQOSA-N 1 2 364.409 3.398 10 5 FGBELO Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000121299836 494690113 /nfs/dbraw/zinc/69/01/13/494690113.db2.gz CSVASSXNYXDDNT-AWEZNQCLSA-N 1 2 373.457 3.288 10 5 FGBELO COc1cc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c([N+](=O)[O-])cc1OC ZINC000123314502 495113419 /nfs/dbraw/zinc/11/34/19/495113419.db2.gz XZELAQXZDYCEGS-UHFFFAOYSA-N 1 2 374.441 3.027 10 5 FGBELO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130722244 495435645 /nfs/dbraw/zinc/43/56/45/495435645.db2.gz KDAZWJHMHAVARM-AREMUKBSSA-N 1 2 374.422 3.476 10 5 FGBELO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173949192 495758924 /nfs/dbraw/zinc/75/89/24/495758924.db2.gz SVWWNEQEYQDVIG-CQSZACIVSA-N 1 2 366.377 3.037 10 5 FGBELO Cc1ncc(C[NH+]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)s1 ZINC000112080281 495142649 /nfs/dbraw/zinc/14/26/49/495142649.db2.gz HBKPFPFKXZLXDM-UHFFFAOYSA-N 1 2 369.450 3.230 10 5 FGBELO C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175974367 496625111 /nfs/dbraw/zinc/62/51/11/496625111.db2.gz JWVSHQMYDIQLCC-CQSZACIVSA-N 1 2 365.393 3.341 10 5 FGBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)o2)cc1 ZINC000173400146 496676429 /nfs/dbraw/zinc/67/64/29/496676429.db2.gz LPFYLYDVCHIRLL-HNNXBMFYSA-N 1 2 354.370 3.095 10 5 FGBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3c3cn[nH]c3)o2)cc1 ZINC000173400146 496676434 /nfs/dbraw/zinc/67/64/34/496676434.db2.gz LPFYLYDVCHIRLL-HNNXBMFYSA-N 1 2 354.370 3.095 10 5 FGBELO O=[N+]([O-])c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000247291566 496825976 /nfs/dbraw/zinc/82/59/76/496825976.db2.gz BEXDHAVKRAAMSW-UHFFFAOYSA-N 1 2 353.338 3.360 10 5 FGBELO Cc1cc(NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423987 498104190 /nfs/dbraw/zinc/10/41/90/498104190.db2.gz GHSAZWWJNWSHOO-DZGCQCFKSA-N 1 2 362.455 3.234 10 5 FGBELO Cc1cc(NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301423987 498104194 /nfs/dbraw/zinc/10/41/94/498104194.db2.gz GHSAZWWJNWSHOO-DZGCQCFKSA-N 1 2 362.455 3.234 10 5 FGBELO Cc1cc(NC[C@](C)(O)c2ccco2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000078375607 494289016 /nfs/dbraw/zinc/28/90/16/494289016.db2.gz LDMZNEHLTDTFIL-SFHVURJKSA-N 1 2 354.366 3.273 10 5 FGBELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092708712 494721972 /nfs/dbraw/zinc/72/19/72/494721972.db2.gz UWASEJGMZFJWNV-CYBMUJFWSA-N 1 2 371.384 3.077 10 5 FGBELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092708712 494721983 /nfs/dbraw/zinc/72/19/83/494721983.db2.gz UWASEJGMZFJWNV-CYBMUJFWSA-N 1 2 371.384 3.077 10 5 FGBELO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(CC)nc32)cc1[N+](=O)[O-] ZINC000154208610 495545676 /nfs/dbraw/zinc/54/56/76/495545676.db2.gz ANXJSPDBWGMIAG-TZMCWYRMSA-N 1 2 359.430 3.333 10 5 FGBELO CC[C@@H](NC(=O)NCc1[nH+]ccn1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176321367 495599042 /nfs/dbraw/zinc/59/90/42/495599042.db2.gz GDDYLRONURMDLP-MRXNPFEDSA-N 1 2 359.430 3.398 10 5 FGBELO C[C@@H]1C[N@@H+]([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])c2cccs2)CCO1 ZINC000192791635 497215262 /nfs/dbraw/zinc/21/52/62/497215262.db2.gz IBDZNULUPNIHMT-WBMJQRKESA-N 1 2 362.455 3.112 10 5 FGBELO C[C@@H]1C[N@H+]([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])c2cccs2)CCO1 ZINC000192791635 497215264 /nfs/dbraw/zinc/21/52/64/497215264.db2.gz IBDZNULUPNIHMT-WBMJQRKESA-N 1 2 362.455 3.112 10 5 FGBELO COC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000301206541 497999616 /nfs/dbraw/zinc/99/96/16/497999616.db2.gz ZLFHXIBYCCHTKP-CQSZACIVSA-N 1 2 371.397 3.003 10 5 FGBELO CCS[C@H]1CC[C@@]1(O)CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301499579 498137384 /nfs/dbraw/zinc/13/73/84/498137384.db2.gz WGACWTOUALWPRP-MAUKXSAKSA-N 1 2 374.466 3.419 10 5 FGBELO CCc1cc(NCCn2cc(C)cn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000108949098 494809899 /nfs/dbraw/zinc/80/98/99/494809899.db2.gz RAZADBGQQPBRCY-UHFFFAOYSA-N 1 2 352.398 3.231 10 5 FGBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C2 ZINC000112667938 495220389 /nfs/dbraw/zinc/22/03/89/495220389.db2.gz WHROLPZCTWTNHR-UHFFFAOYSA-N 1 2 374.466 3.129 10 5 FGBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173315921 496640088 /nfs/dbraw/zinc/64/00/88/496640088.db2.gz KXZSVWCFERCSID-BLLLJJGKSA-N 1 2 368.397 3.276 10 5 FGBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173315921 496640092 /nfs/dbraw/zinc/64/00/92/496640092.db2.gz KXZSVWCFERCSID-BLLLJJGKSA-N 1 2 368.397 3.276 10 5 FGBELO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000154053428 496668678 /nfs/dbraw/zinc/66/86/78/496668678.db2.gz KPRKRWNHOSDTQD-OLZOCXBDSA-N 1 2 359.430 3.333 10 5 FGBELO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000246880454 497818398 /nfs/dbraw/zinc/81/83/98/497818398.db2.gz FYNNOHRLCJGTPQ-WFASDCNBSA-N 1 2 359.382 3.361 10 5 FGBELO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000246880454 497818399 /nfs/dbraw/zinc/81/83/99/497818399.db2.gz FYNNOHRLCJGTPQ-WFASDCNBSA-N 1 2 359.382 3.361 10 5 FGBELO Cc1cc(N[C@@H]2CCc3n[nH]cc3C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301296379 498044299 /nfs/dbraw/zinc/04/42/99/498044299.db2.gz SFLNCVNXXZTSOC-CQSZACIVSA-N 1 2 350.382 3.053 10 5 FGBELO Cc1cc(N2CCC[C@H]2Cn2cc[nH+]c2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301584930 498175460 /nfs/dbraw/zinc/17/54/60/498175460.db2.gz VUNGQIMHZMUGOT-KRWDZBQOSA-N 1 2 364.409 3.226 10 5 FGBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000112725617 495230143 /nfs/dbraw/zinc/23/01/43/495230143.db2.gz KTHSLGOORIWWSC-UHFFFAOYSA-N 1 2 362.817 3.304 10 5 FGBELO CC[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000177594217 496126164 /nfs/dbraw/zinc/12/61/64/496126164.db2.gz QTQXYKWPMWVFHP-SJORKVTESA-N 1 2 357.414 3.117 10 5 FGBELO CCc1nn(C)cc1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092959408 494794178 /nfs/dbraw/zinc/79/41/78/494794178.db2.gz RFUJTORUMSZSSN-UHFFFAOYSA-N 1 2 352.398 3.268 10 5 FGBELO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000124722241 495333591 /nfs/dbraw/zinc/33/35/91/495333591.db2.gz MRFUHGDUUMGUHF-CYBMUJFWSA-N 1 2 368.315 3.115 10 5 FGBELO Cc1ccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)s1 ZINC000124846462 495353120 /nfs/dbraw/zinc/35/31/20/495353120.db2.gz DVGUAPKDKMDVRK-OAHLLOKOSA-N 1 2 362.455 3.154 10 5 FGBELO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)n2)c1 ZINC000114201656 495354135 /nfs/dbraw/zinc/35/41/35/495354135.db2.gz QIVSXLXXOOCUIU-HNNXBMFYSA-N 1 2 354.370 3.095 10 5 FGBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCC[C@H]3c3cn[nH]c3)n2)c1 ZINC000114201656 495354138 /nfs/dbraw/zinc/35/41/38/495354138.db2.gz QIVSXLXXOOCUIU-HNNXBMFYSA-N 1 2 354.370 3.095 10 5 FGBELO CC(C)c1nc(C2([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000154379742 495599054 /nfs/dbraw/zinc/59/90/54/495599054.db2.gz WTRGIQCYJBKBBY-HNNXBMFYSA-N 1 2 360.414 3.194 10 5 FGBELO CC[C@@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178678974 496538246 /nfs/dbraw/zinc/53/82/46/496538246.db2.gz OUNZXEVBEQBRPR-CXAGYDPISA-N 1 2 352.398 3.372 10 5 FGBELO Cc1csc([C@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000195331992 496892676 /nfs/dbraw/zinc/89/26/76/496892676.db2.gz ZFODFSGTZOPUEC-AWEZNQCLSA-N 1 2 374.466 3.486 10 5 FGBELO Cc1csc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000195331992 496892680 /nfs/dbraw/zinc/89/26/80/496892680.db2.gz ZFODFSGTZOPUEC-AWEZNQCLSA-N 1 2 374.466 3.486 10 5 FGBELO CCS[C@H]1CC[C@]1(O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301484581 498130021 /nfs/dbraw/zinc/13/00/21/498130021.db2.gz GSVFERGXARLDAY-YJBOKZPZSA-N 1 2 374.466 3.419 10 5 FGBELO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)c1 ZINC000122436884 494975027 /nfs/dbraw/zinc/97/50/27/494975027.db2.gz YVJRGAHULRLOQV-KRWDZBQOSA-N 1 2 358.442 3.124 10 5 FGBELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)c1 ZINC000122436884 494975031 /nfs/dbraw/zinc/97/50/31/494975031.db2.gz YVJRGAHULRLOQV-KRWDZBQOSA-N 1 2 358.442 3.124 10 5 FGBELO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173947612 495757673 /nfs/dbraw/zinc/75/76/73/495757673.db2.gz LXCNLZUFJHEAHO-AWEZNQCLSA-N 1 2 350.378 3.200 10 5 FGBELO C[C@H]1C[N@@H+]([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])c2cccs2)CCO1 ZINC000192791653 497214897 /nfs/dbraw/zinc/21/48/97/497214897.db2.gz IBDZNULUPNIHMT-LRDDRELGSA-N 1 2 362.455 3.112 10 5 FGBELO C[C@H]1C[N@H+]([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])c2cccs2)CCO1 ZINC000192791653 497214902 /nfs/dbraw/zinc/21/49/02/497214902.db2.gz IBDZNULUPNIHMT-LRDDRELGSA-N 1 2 362.455 3.112 10 5 FGBELO CCS[C@H]1CC[C@]1(O)CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301499585 498137153 /nfs/dbraw/zinc/13/71/53/498137153.db2.gz WGACWTOUALWPRP-YJBOKZPZSA-N 1 2 374.466 3.419 10 5 FGBELO COC(=O)c1cc(NCCc2[nH]c3ccc(F)cc3[nH+]2)ccc1[N+](=O)[O-] ZINC000301702107 498230593 /nfs/dbraw/zinc/23/05/93/498230593.db2.gz DYUKKJMXFACSMS-UHFFFAOYSA-N 1 2 358.329 3.051 10 5 FGBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089892359 494394831 /nfs/dbraw/zinc/39/48/31/494394831.db2.gz HMYDTUGKYVPLIY-HNNXBMFYSA-N 1 2 372.425 3.131 10 5 FGBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089892359 494394835 /nfs/dbraw/zinc/39/48/35/494394835.db2.gz HMYDTUGKYVPLIY-HNNXBMFYSA-N 1 2 372.425 3.131 10 5 FGBELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cs1 ZINC000109651228 494900944 /nfs/dbraw/zinc/90/09/44/494900944.db2.gz QQJYNVBUFNBVDN-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cs1 ZINC000109651228 494900948 /nfs/dbraw/zinc/90/09/48/494900948.db2.gz QQJYNVBUFNBVDN-UHFFFAOYSA-N 1 2 374.466 3.016 10 5 FGBELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000106210165 495431393 /nfs/dbraw/zinc/43/13/93/495431393.db2.gz ZABDLPBMXNDARV-QGZVFWFLSA-N 1 2 371.441 3.029 10 5 FGBELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000106210165 495431398 /nfs/dbraw/zinc/43/13/98/495431398.db2.gz ZABDLPBMXNDARV-QGZVFWFLSA-N 1 2 371.441 3.029 10 5 FGBELO CC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176700214 495754139 /nfs/dbraw/zinc/75/41/39/495754139.db2.gz JQUVVXRBPICXLV-QGZVFWFLSA-N 1 2 357.414 3.289 10 5 FGBELO CCc1csc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000195383266 496907839 /nfs/dbraw/zinc/90/78/39/496907839.db2.gz NRBSCESJOOTNSX-ZDUSSCGKSA-N 1 2 374.466 3.432 10 5 FGBELO CCc1csc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000195383266 496907842 /nfs/dbraw/zinc/90/78/42/496907842.db2.gz NRBSCESJOOTNSX-ZDUSSCGKSA-N 1 2 374.466 3.432 10 5 FGBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000248374239 496986403 /nfs/dbraw/zinc/98/64/03/496986403.db2.gz OWIIPIDXBHQVIM-HIFRSBDPSA-N 1 2 363.439 3.018 10 5 FGBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000248374239 496986404 /nfs/dbraw/zinc/98/64/04/496986404.db2.gz OWIIPIDXBHQVIM-HIFRSBDPSA-N 1 2 363.439 3.018 10 5 FGBELO CC[C@H](C)NC(=O)[C@@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301241980 498016599 /nfs/dbraw/zinc/01/65/99/498016599.db2.gz OPYBRMUCDZIBCS-WCQYABFASA-N 1 2 357.414 3.075 10 5 FGBELO Cc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1[N+](=O)[O-] ZINC000179501287 495616463 /nfs/dbraw/zinc/61/64/63/495616463.db2.gz DCFMFZFIOOQGJF-UHFFFAOYSA-N 1 2 352.394 3.367 10 5 FGBELO COc1cc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000173925986 495750870 /nfs/dbraw/zinc/75/08/70/495750870.db2.gz RQPCAIKCDMTWRD-CYBMUJFWSA-N 1 2 366.377 3.280 10 5 FGBELO Cn1cc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000153483968 496471973 /nfs/dbraw/zinc/47/19/73/496471973.db2.gz KDIMPQMLAMEWFV-QGZVFWFLSA-N 1 2 353.382 3.320 10 5 FGBELO Cn1cc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000153483968 496471980 /nfs/dbraw/zinc/47/19/80/496471980.db2.gz KDIMPQMLAMEWFV-QGZVFWFLSA-N 1 2 353.382 3.320 10 5 FGBELO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000301652738 498207726 /nfs/dbraw/zinc/20/77/26/498207726.db2.gz QSGCGLMCSMRXEJ-RTBURBONSA-N 1 2 373.840 3.338 10 5 FGBELO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000301652738 498207730 /nfs/dbraw/zinc/20/77/30/498207730.db2.gz QSGCGLMCSMRXEJ-RTBURBONSA-N 1 2 373.840 3.338 10 5 FGBELO