smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C[C@H]1CCCN1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005496403 204212398 /nfs/dbraw/zinc/21/23/98/204212398.db2.gz IHRIWDKGHPLMOV-SNVBAGLBSA-N 0 0 355.372 2.928 40 5 FFBBRN CCOc1cccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000030751861 204910916 /nfs/dbraw/zinc/91/09/16/204910916.db2.gz FFWHAKJOYQBMBB-UHFFFAOYSA-N 0 0 350.396 2.780 40 5 FFBBRN CCOc1ccccc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055268828 205213289 /nfs/dbraw/zinc/21/32/89/205213289.db2.gz ILCXJYHMZUVTPB-UHFFFAOYSA-N 0 0 350.396 2.814 40 5 FFBBRN COc1cc(OCC(=O)NCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000066012844 205362651 /nfs/dbraw/zinc/36/26/51/205362651.db2.gz WXXBSHSRULIHQO-UHFFFAOYSA-N 0 0 350.758 2.952 40 5 FFBBRN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000135677682 206128552 /nfs/dbraw/zinc/12/85/52/206128552.db2.gz XONNFTKSHOKTAK-UHFFFAOYSA-N 0 0 363.395 2.687 40 5 FFBBRN COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000007927956 506602836 /nfs/dbraw/zinc/60/28/36/506602836.db2.gz WCULMGHXPBGGBZ-LBPRGKRZSA-N 0 0 355.350 2.595 40 5 FFBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000103933361 508324213 /nfs/dbraw/zinc/32/42/13/508324213.db2.gz NZUDVGKWYVFPNA-UHFFFAOYSA-N 0 0 362.254 2.672 40 5 FFBBRN CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224762964 509360266 /nfs/dbraw/zinc/36/02/66/509360266.db2.gz OKQYWXONBZZPRJ-UHFFFAOYSA-N 0 0 371.758 2.982 40 5 FFBBRN CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224837737 509360288 /nfs/dbraw/zinc/36/02/88/509360288.db2.gz LTUNKAZAQAZCMZ-UHFFFAOYSA-N 0 0 364.379 2.581 40 5 FFBBRN CCc1ccc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc1 ZINC000408564980 513087218 /nfs/dbraw/zinc/08/72/18/513087218.db2.gz GWDUSSMYWCRBMK-CVAIRZPRSA-N 0 0 351.406 2.771 40 5 FFBBRN CSc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1 ZINC000408567125 513088027 /nfs/dbraw/zinc/08/80/27/513088027.db2.gz PUSBVSCTISMWMO-YJLNNSPDSA-N 0 0 369.446 2.930 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 ZINC000408640062 513090595 /nfs/dbraw/zinc/09/05/95/513090595.db2.gz HCZPUDMXMQQQIZ-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN CSC1=NN2[C@H](c3ccccc3[N+](=O)[O-])Nc3ccccc3[C@H]2C(=O)N1 ZINC000588229082 518757744 /nfs/dbraw/zinc/75/77/44/518757744.db2.gz CNPRMHUGEBLPII-LSDHHAIUSA-N 0 0 369.406 2.826 40 5 FFBBRN CSC1=NN2[C@@H](c3ccccc3[N+](=O)[O-])Nc3ccccc3[C@H]2C(=O)N1 ZINC000588229080 518758077 /nfs/dbraw/zinc/75/80/77/518758077.db2.gz CNPRMHUGEBLPII-GJZGRUSLSA-N 0 0 369.406 2.826 40 5 FFBBRN CC(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccn2)n1 ZINC000329070588 203850490 /nfs/dbraw/zinc/85/04/90/203850490.db2.gz ZIBPXWAAFQNJSL-UHFFFAOYSA-N 0 0 364.409 2.723 40 5 FFBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc2c(c1)OCO2 ZINC000006226448 204241928 /nfs/dbraw/zinc/24/19/28/204241928.db2.gz DJMHJWKOIWLPSB-UHFFFAOYSA-N 0 0 363.326 2.589 40 5 FFBBRN CCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(C)(=O)=O ZINC000010008584 204388371 /nfs/dbraw/zinc/38/83/71/204388371.db2.gz GRKCJZCVRIRTNX-UHFFFAOYSA-N 0 0 363.395 2.633 40 5 FFBBRN O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(Cl)(Cl)Cl ZINC000070461919 132302535 /nfs/dbraw/zinc/30/25/35/132302535.db2.gz OUYVCYIHHRVGFS-UHFFFAOYSA-N 0 0 352.605 2.614 40 5 FFBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2cccnc2Cl)cc1[N+](=O)[O-] ZINC000008560833 263356262 /nfs/dbraw/zinc/35/62/62/263356262.db2.gz VVLVDBXHLYCMFV-UHFFFAOYSA-N 0 0 352.690 2.812 40 5 FFBBRN COc1c([N+](=O)[O-])cc(NC(=O)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC000020528581 263381656 /nfs/dbraw/zinc/38/16/56/263381656.db2.gz VLOKCXZQAAYPQC-UHFFFAOYSA-N 0 0 358.521 2.820 40 5 FFBBRN O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc2nsnc2c1 ZINC000021595590 263384029 /nfs/dbraw/zinc/38/40/29/263384029.db2.gz WQAYRXMUGPPYSX-UHFFFAOYSA-N 0 0 359.392 2.726 40 5 FFBBRN COc1ccc(CCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000013646715 506949986 /nfs/dbraw/zinc/94/99/86/506949986.db2.gz PEHQTOOUNCUIAM-UHFFFAOYSA-N 0 0 364.423 2.823 40 5 FFBBRN Cc1cccc(NC(=O)[C@H](c2cccc([N+](=O)[O-])c2)N2CCOCC2)c1 ZINC000019537560 507177328 /nfs/dbraw/zinc/17/73/28/507177328.db2.gz RIXRDCUSAKSSRT-SFHVURJKSA-N 0 0 355.394 2.915 40 5 FFBBRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc([N+](=O)[O-])c1 ZINC000019987798 507207718 /nfs/dbraw/zinc/20/77/18/507207718.db2.gz LCUPVUBZKNMHIF-UHFFFAOYSA-N 0 0 361.741 2.612 40 5 FFBBRN COc1ccccc1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000020041995 507210757 /nfs/dbraw/zinc/21/07/57/507210757.db2.gz NKKQDJMGEQTCQI-UHFFFAOYSA-N 0 0 350.396 2.733 40 5 FFBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000020611768 507229667 /nfs/dbraw/zinc/22/96/67/507229667.db2.gz ROOKSJIBQDSFLH-UHFFFAOYSA-N 0 0 372.337 2.592 40 5 FFBBRN Cc1cc(C(=O)NCc2cccc(CN3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000047218730 507285744 /nfs/dbraw/zinc/28/57/44/507285744.db2.gz KCGUHDYTJKTIAU-UHFFFAOYSA-N 0 0 369.421 2.665 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 ZINC000222413617 509315354 /nfs/dbraw/zinc/31/53/54/509315354.db2.gz URJIAPPJQJXCDI-UHFFFAOYSA-N 0 0 363.395 2.551 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc([N+](=O)[O-])c1C ZINC000225087620 509364327 /nfs/dbraw/zinc/36/43/27/509364327.db2.gz SNJCSRDJMCTETE-UHFFFAOYSA-N 0 0 365.367 2.945 40 5 FFBBRN Cc1c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000408618752 513089640 /nfs/dbraw/zinc/08/96/40/513089640.db2.gz FLDMINLOFDCVCH-UHFFFAOYSA-N 0 0 373.390 2.801 40 5 FFBBRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1[N+](=O)[O-] ZINC000205781711 571232564 /nfs/dbraw/zinc/23/25/64/571232564.db2.gz URDGJIGPAUYADF-NTUHNPAUSA-N 0 0 364.379 2.891 40 5 FFBBRN COc1ccc(Cn2c(C)nc([N+](=O)[O-])c2Br)cc1[N+](=O)[O-] ZINC000027246929 727875605 /nfs/dbraw/zinc/87/56/05/727875605.db2.gz RYVFSKVOTMPJTA-UHFFFAOYSA-N 0 0 371.147 2.827 40 5 FFBBRN O=[N+]([O-])c1nn(-c2ccc([N+](=O)[O-])cc2)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 ZINC000097965983 203824640 /nfs/dbraw/zinc/82/46/40/203824640.db2.gz LPXQOCDMFSVQRT-UHFFFAOYSA-N 0 0 374.225 2.658 40 5 FFBBRN CCOC(=O)C[C@@H]1CCCN1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001582191 204013974 /nfs/dbraw/zinc/01/39/74/204013974.db2.gz IHRIWDKGHPLMOV-JTQLQIEISA-N 0 0 355.372 2.928 40 5 FFBBRN CCOC(=O)C(=Cn1c2cc([N+](=O)[O-])ccc2[nH]c1=S)C(=O)OCC ZINC000005499633 204212560 /nfs/dbraw/zinc/21/25/60/204212560.db2.gz JKSMSWNEXVFQFQ-UHFFFAOYSA-N 0 0 365.367 2.574 40 5 FFBBRN CC(=O)Oc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000004611450 206179908 /nfs/dbraw/zinc/17/99/08/206179908.db2.gz AQZPYZCGXKHRGZ-YBEGLDIGSA-N 0 0 352.302 2.865 40 5 FFBBRN O=C(NC[C@H]1CCCO1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008470714 263355321 /nfs/dbraw/zinc/35/53/21/263355321.db2.gz LCNWRCQWGMGWGG-QGZVFWFLSA-N 0 0 369.377 2.756 40 5 FFBBRN O=[N+]([O-])c1ccc(N2CCN(C(=S)NCc3ccccc3)CC2)cc1 ZINC000005572114 506450478 /nfs/dbraw/zinc/45/04/78/506450478.db2.gz BHXAYGBRESBAOJ-UHFFFAOYSA-N 0 0 356.451 2.792 40 5 FFBBRN CCC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006309168 506476440 /nfs/dbraw/zinc/47/64/40/506476440.db2.gz FZKTZHSVFNZIRB-LJQANCHMSA-N 0 0 370.361 2.588 40 5 FFBBRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000007882624 506599426 /nfs/dbraw/zinc/59/94/26/506599426.db2.gz GJTGAOBGRKWAAX-UKRRQHHQSA-N 0 0 353.378 2.825 40 5 FFBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccs1 ZINC000017074896 507115165 /nfs/dbraw/zinc/11/51/65/507115165.db2.gz GCHBZDKAMQMULQ-UHFFFAOYSA-N 0 0 364.433 2.815 40 5 FFBBRN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 ZINC000020611719 507230415 /nfs/dbraw/zinc/23/04/15/507230415.db2.gz XVZMQZCTVFRDPS-UHFFFAOYSA-N 0 0 357.366 2.692 40 5 FFBBRN COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c([N+](=O)[O-])c3C)nc2c1 ZINC000022056166 507279769 /nfs/dbraw/zinc/27/97/69/507279769.db2.gz PFDONLPWKWJOCD-RUZDIDTESA-N 0 0 360.395 2.799 40 5 in-vitro FFBBRN CC[C@](Br)([C@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC ZINC000096521631 508214490 /nfs/dbraw/zinc/21/44/90/508214490.db2.gz RCKCXMZAOKNPDM-VXGBXAGGSA-N 0 0 366.233 2.564 40 5 FFBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223506237 509342263 /nfs/dbraw/zinc/34/22/63/509342263.db2.gz XLMJWWGJBRFCFO-HNNXBMFYSA-N 0 0 369.421 2.691 40 5 FFBBRN CCc1ccc(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000224154248 509354718 /nfs/dbraw/zinc/35/47/18/509354718.db2.gz DGLDMIHFXXADSW-UHFFFAOYSA-N 0 0 364.423 2.823 40 5 FFBBRN CC(C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)n1 ZINC000328987610 511962147 /nfs/dbraw/zinc/96/21/47/511962147.db2.gz IBKVHGGBVLYUNI-UHFFFAOYSA-N 0 0 355.320 2.680 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000408641386 513090350 /nfs/dbraw/zinc/09/03/50/513090350.db2.gz KFFIELBOJXJLMB-CQSZACIVSA-N 0 0 369.377 2.591 40 5 FFBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000205677125 571141727 /nfs/dbraw/zinc/14/17/27/571141727.db2.gz DXRKFXBUZOSHCY-KPKJPENVSA-N 0 0 350.352 2.503 40 5 FFBBRN Cc1cc2nc3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n3c2cc1C ZINC000000843752 203805553 /nfs/dbraw/zinc/80/55/53/203805553.db2.gz FZQOGKWKGUUQDQ-SXGWCWSVSA-N 0 0 351.387 2.982 40 5 FFBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000224811006 206464740 /nfs/dbraw/zinc/46/47/40/206464740.db2.gz GSYFHHXJZQTSKK-UHFFFAOYSA-N 0 0 366.395 2.746 40 5 FFBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CC(=O)Nc2ccccc21 ZINC000192542250 251284973 /nfs/dbraw/zinc/28/49/73/251284973.db2.gz PCMYGURJBFIVAF-UHFFFAOYSA-N 0 0 357.391 2.813 40 5 FFBBRN CCCOC(=O)c1cc(Cl)c(N2CCN(CC)CC2)c([N+](=O)[O-])c1 ZINC000070462688 136138368 /nfs/dbraw/zinc/13/83/68/136138368.db2.gz DSYYSKJTDTUZMT-UHFFFAOYSA-N 0 0 355.822 2.957 40 5 FFBBRN CC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035290752 506378356 /nfs/dbraw/zinc/37/83/56/506378356.db2.gz TZAHJWBVODHRPG-MRXNPFEDSA-N 0 0 373.461 2.610 40 5 FFBBRN COC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000007363513 506556133 /nfs/dbraw/zinc/55/61/33/506556133.db2.gz WBXDBIJJBWUVMU-UHFFFAOYSA-N 0 0 364.379 2.799 40 5 FFBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)CCCC1=O ZINC000008475265 506652565 /nfs/dbraw/zinc/65/25/65/506652565.db2.gz QGSJHEJBLWLODW-UHFFFAOYSA-N 0 0 367.361 2.691 40 5 FFBBRN COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000045644010 506996473 /nfs/dbraw/zinc/99/64/73/506996473.db2.gz RUQMZIGAEVXFFS-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN O=c1c2cnc(N3CCCCC3)nc2ccn1-c1ccc([N+](=O)[O-])cc1 ZINC000019958837 507207587 /nfs/dbraw/zinc/20/75/87/507207587.db2.gz SZHYPSBHDOYIMD-UHFFFAOYSA-N 0 0 351.366 2.679 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000223985893 509352650 /nfs/dbraw/zinc/35/26/50/509352650.db2.gz MEMOBOPQYVZUKS-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225040854 509364663 /nfs/dbraw/zinc/36/46/63/509364663.db2.gz URGTTXUOYOIFBV-UHFFFAOYSA-N 0 0 371.758 2.982 40 5 FFBBRN CC(C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccnc2)n1 ZINC000329039148 511972105 /nfs/dbraw/zinc/97/21/05/511972105.db2.gz RWIIUHKPIBFDSQ-UHFFFAOYSA-N 0 0 368.372 2.994 40 5 FFBBRN COc1cc(NC(=O)CSc2nc3c(c(C)n2)CCC3)ccc1[N+](=O)[O-] ZINC000408555291 513087073 /nfs/dbraw/zinc/08/70/73/513087073.db2.gz WJTPXSFGOPMNQC-UHFFFAOYSA-N 0 0 374.422 2.921 40 5 FFBBRN CSc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1 ZINC000408567119 513087747 /nfs/dbraw/zinc/08/77/47/513087747.db2.gz PUSBVSCTISMWMO-FNHZYXHNSA-N 0 0 369.446 2.930 40 5 FFBBRN CC(C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccncc2)n1 ZINC000329065640 203849663 /nfs/dbraw/zinc/84/96/63/203849663.db2.gz XTBXGYGBAQFHIC-UHFFFAOYSA-N 0 0 368.372 2.994 40 5 FFBBRN O=Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000001447201 204008116 /nfs/dbraw/zinc/00/81/16/204008116.db2.gz KHQANEGSTQNJCY-OAHLLOKOSA-N 0 0 374.736 2.772 40 5 FFBBRN O=C(CNSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccccc1 ZINC000001585456 204013661 /nfs/dbraw/zinc/01/36/61/204013661.db2.gz FECWQAFGNJYDER-UHFFFAOYSA-N 0 0 363.351 2.843 40 5 FFBBRN CC(=O)c1nn(-c2ccccc2[N+](=O)[O-])/c(=N/C(=O)c2ccccc2)s1 ZINC000003848847 204111334 /nfs/dbraw/zinc/11/13/34/204111334.db2.gz IKGYXDHZRRXHFC-ZCXUNETKSA-N 0 0 368.374 2.786 40 5 FFBBRN O=[N+]([O-])c1ccc(I)cc1I ZINC000004802467 204163936 /nfs/dbraw/zinc/16/39/36/204163936.db2.gz VALABLHQPAMOBO-UHFFFAOYSA-N 0 0 374.903 2.804 40 5 FFBBRN COc1ccc(-c2noc(CN(C)C(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000007720595 204304664 /nfs/dbraw/zinc/30/46/64/204304664.db2.gz ZKNLLGIOEMRIIN-UHFFFAOYSA-N 0 0 368.349 2.926 40 5 FFBBRN Cc1cc(C)cc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000022496266 204778746 /nfs/dbraw/zinc/77/87/46/204778746.db2.gz HGRDXRHEWRIASD-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN COC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000147837149 206140754 /nfs/dbraw/zinc/14/07/54/206140754.db2.gz BNNIXFIAPOIBJJ-UHFFFAOYSA-N 0 0 374.349 2.716 40 5 FFBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000004853231 206182392 /nfs/dbraw/zinc/18/23/92/206182392.db2.gz STSSVMGRIKSMGH-UHFFFAOYSA-N 0 0 355.262 2.862 40 5 FFBBRN Cc1cc2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3c2cc1C ZINC000000886035 206224465 /nfs/dbraw/zinc/22/44/65/206224465.db2.gz OKWKRNPKOVCYJC-SXGWCWSVSA-N 0 0 351.387 2.982 40 5 FFBBRN CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000004859556 132255484 /nfs/dbraw/zinc/25/54/84/132255484.db2.gz CZFGYVSIPBBSSB-GFCCVEGCSA-N 0 0 350.375 2.588 40 5 FFBBRN N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 ZINC000225244469 132284368 /nfs/dbraw/zinc/28/43/68/132284368.db2.gz KENWBTNCPJNTIE-UHFFFAOYSA-N 0 0 360.805 2.812 40 5 FFBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000020611767 132897806 /nfs/dbraw/zinc/89/78/06/132897806.db2.gz QAAORWHNZSWNOP-UHFFFAOYSA-N 0 0 372.337 2.592 40 5 FFBBRN COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927962 506601882 /nfs/dbraw/zinc/60/18/82/506601882.db2.gz QZKOEZQACDFHNM-LBPRGKRZSA-N 0 0 355.350 2.595 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(F)cc2)CC1=O ZINC000007928429 506603596 /nfs/dbraw/zinc/60/35/96/506603596.db2.gz CBNNHRTUGAZMAG-LLVKDONJSA-N 0 0 373.340 2.734 40 5 FFBBRN Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000008902550 506672953 /nfs/dbraw/zinc/67/29/53/506672953.db2.gz QTFZSUZLXPFGAC-UHFFFAOYSA-N 0 0 371.393 2.757 40 5 FFBBRN COc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410758 507220464 /nfs/dbraw/zinc/22/04/64/507220464.db2.gz YWJYCQBSZQUIDF-UHFFFAOYSA-N 0 0 357.366 2.692 40 5 FFBBRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])o3)nn12 ZINC000059294350 507496329 /nfs/dbraw/zinc/49/63/29/507496329.db2.gz BPFRIWPKGSNAHK-UHFFFAOYSA-N 0 0 370.350 2.915 40 5 FFBBRN CCCc1nn(C)c2c1nc(-c1cc([N+](=O)[O-])ccc1OCC)[nH]c2=O ZINC000077311694 508298484 /nfs/dbraw/zinc/29/84/84/508298484.db2.gz JMINGHHRIRWKPP-UHFFFAOYSA-N 0 0 357.370 2.995 40 5 in-vitro FFBBRN COc1ccc(OC)c(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000225076859 509364247 /nfs/dbraw/zinc/36/42/47/509364247.db2.gz PSFPJMQQLJNGOW-UHFFFAOYSA-N 0 0 366.395 2.746 40 5 FFBBRN COc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000225076150 509364276 /nfs/dbraw/zinc/36/42/76/509364276.db2.gz JEWRPUFUHIBHCA-UHFFFAOYSA-N 0 0 366.395 2.746 40 5 FFBBRN CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000225038245 509364644 /nfs/dbraw/zinc/36/46/44/509364644.db2.gz LGBVOGLYXZOWJE-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN CCCCC(=O)N1CCN(c2ccc(C(=O)OCC)cc2[N+](=O)[O-])CC1 ZINC000408574482 513087726 /nfs/dbraw/zinc/08/77/26/513087726.db2.gz RDTGHHAXVQCBMH-UHFFFAOYSA-N 0 0 363.414 2.610 40 5 FFBBRN Cc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000409147980 513099550 /nfs/dbraw/zinc/09/95/50/513099550.db2.gz XLENTCWBVDITSL-UHFFFAOYSA-N 0 0 363.395 2.551 40 5 FFBBRN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000575423208 518217996 /nfs/dbraw/zinc/21/79/96/518217996.db2.gz ZIIZZIQNCZTPLB-GOSISDBHSA-N 0 0 358.419 2.908 40 5 FFBBRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000014220323 204575680 /nfs/dbraw/zinc/57/56/80/204575680.db2.gz RFXRXCKPDNZLSH-NSHDSACASA-N 0 0 366.395 2.652 40 5 FFBBRN CCOC(=O)[C@H](CC)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000000862160 206136916 /nfs/dbraw/zinc/13/69/16/206136916.db2.gz NLHAEYOBXGWLIX-LBPRGKRZSA-N 0 0 350.400 2.824 40 5 FFBBRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccccc3)n2)c1 ZINC000015674831 206315340 /nfs/dbraw/zinc/31/53/40/206315340.db2.gz IJYMMLKOUCCEDT-SJORKVTESA-N 0 0 366.377 2.953 40 5 biogenic,in-vitro FFBBRN COC(=O)c1cn(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c2ccccc12 ZINC000222606243 206420112 /nfs/dbraw/zinc/42/01/12/206420112.db2.gz WSOFPDILMJWWDI-UHFFFAOYSA-N 0 0 374.374 2.882 40 5 FFBBRN COc1ccc([C@@H]([C@@H](C)[N+](=O)[O-])[C@H](C(C)=O)C(=O)OC(C)(C)C)cc1 ZINC000003058522 506309348 /nfs/dbraw/zinc/30/93/48/506309348.db2.gz KKZPVPMHEUEJLE-LYRGGWFBSA-N 0 0 351.399 2.991 40 5 FFBBRN COc1ccc([C@@H]([C@@H](C)[N+](=O)[O-])[C@@H](C(C)=O)C(=O)OC(C)(C)C)cc1 ZINC000005276098 506433969 /nfs/dbraw/zinc/43/39/69/506433969.db2.gz KKZPVPMHEUEJLE-HFBAOOFYSA-N 0 0 351.399 2.991 40 5 FFBBRN CC(=O)Nc1cccc(-c2nc(Sc3ccc([N+](=O)[O-])cn3)n[nH]2)c1 ZINC000007365872 506558980 /nfs/dbraw/zinc/55/89/80/506558980.db2.gz IAZJNLMSDCQSKR-UHFFFAOYSA-N 0 0 356.367 2.885 40 5 FFBBRN CCOc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000020039896 507209496 /nfs/dbraw/zinc/20/94/96/507209496.db2.gz LCXOGRVGLWICDW-UHFFFAOYSA-N 0 0 350.396 2.780 40 5 FFBBRN O=C1c2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]2CCCN12 ZINC000020798454 507235109 /nfs/dbraw/zinc/23/51/09/507235109.db2.gz DYZNMPWYGXAYSH-KRWDZBQOSA-N 0 0 351.362 2.746 40 5 FFBBRN CCn1c2nnc(COc3ccc([N+](=O)[O-])cc3)n2c2ccccc2c1=O ZINC000029270246 507771662 /nfs/dbraw/zinc/77/16/62/507771662.db2.gz ZIEXYSLBLBUVOH-UHFFFAOYSA-N 0 0 365.349 2.551 40 5 FFBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2ccccc2)c1 ZINC000107873378 507872005 /nfs/dbraw/zinc/87/20/05/507872005.db2.gz CDOXUMSGGZWQTL-UHFFFAOYSA-N 0 0 352.437 2.807 40 5 FFBBRN CNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329061325 511976091 /nfs/dbraw/zinc/97/60/91/511976091.db2.gz WRPFHAORUCDWPW-UHFFFAOYSA-N 0 0 356.773 2.729 40 5 FFBBRN O=C(NC(=S)NCc1ccco1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408624223 513089442 /nfs/dbraw/zinc/08/94/42/513089442.db2.gz BSJZIJLXKXRZPZ-UHFFFAOYSA-N 0 0 374.422 2.593 40 5 FFBBRN COc1ccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000408714634 513091885 /nfs/dbraw/zinc/09/18/85/513091885.db2.gz TUOMOFDDLFYCCM-UHFFFAOYSA-N 0 0 368.349 2.926 40 5 FFBBRN CCN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000409242571 513100977 /nfs/dbraw/zinc/10/09/77/513100977.db2.gz OSVWXNGBJHNEIN-NTEUORMPSA-N 0 0 354.322 2.695 40 5 FFBBRN CCOC(=O)c1cccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000020111650 521545367 /nfs/dbraw/zinc/54/53/67/521545367.db2.gz OONILGMOLOPTBU-UHFFFAOYSA-N 0 0 364.379 2.713 40 5 FFBBRN CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2c(=O)c2cc([N+](=O)[O-])ccc21 ZINC000004797532 206181596 /nfs/dbraw/zinc/18/15/96/206181596.db2.gz LKMSZUDRLXUFDZ-UHFFFAOYSA-N 0 0 371.305 2.534 40 5 FFBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000004981393 206188285 /nfs/dbraw/zinc/18/82/85/206188285.db2.gz HXEAJGAZDHYCSI-UHFFFAOYSA-N 0 0 368.437 2.660 40 5 FFBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)C[C@H]2c2ccccc21 ZINC000005668987 206240218 /nfs/dbraw/zinc/24/02/18/206240218.db2.gz TZPGTEGLWDWRRN-DZJNRPSUSA-N 0 0 362.341 2.554 40 5 FFBBRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000005541199 263341598 /nfs/dbraw/zinc/34/15/98/263341598.db2.gz HUEKOIDMQMUVQU-UHFFFAOYSA-N 0 0 372.333 2.729 40 5 FFBBRN O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000008470188 263355297 /nfs/dbraw/zinc/35/52/97/263355297.db2.gz NFAJNTSNCBLCIH-KRWDZBQOSA-N 0 0 369.377 2.756 40 5 FFBBRN CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000003506666 506338040 /nfs/dbraw/zinc/33/80/40/506338040.db2.gz CARBCIPOWLMHDD-UHFFFAOYSA-N 0 0 372.333 2.567 40 5 FFBBRN CC(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000004902810 506403638 /nfs/dbraw/zinc/40/36/38/506403638.db2.gz ZSFVWMNMAYICKP-UHFFFAOYSA-N 0 0 369.377 2.886 40 5 FFBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009140592 506683343 /nfs/dbraw/zinc/68/33/43/506683343.db2.gz KHUYGPIFUZPIHD-UHFFFAOYSA-N 0 0 350.787 2.880 40 5 FFBBRN O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013425014 506941928 /nfs/dbraw/zinc/94/19/28/506941928.db2.gz NTGMXMKDDRWXQC-LRDDRELGSA-N 0 0 362.382 2.714 40 5 FFBBRN CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccc(C)cc2)C1 ZINC000408562835 513086933 /nfs/dbraw/zinc/08/69/33/513086933.db2.gz DVWCYRSNAURSSF-IBGZPJMESA-N 0 0 369.377 2.736 40 5 FFBBRN CC(=O)Nn1c(=O)c2cc(Cl)ccc2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000003027564 204073985 /nfs/dbraw/zinc/07/39/85/204073985.db2.gz SHFIGDJPWUTTIQ-UHFFFAOYSA-N 0 0 358.741 2.715 40 5 FFBBRN Cc1cccc(-c2nnc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 ZINC000009189357 204357282 /nfs/dbraw/zinc/35/72/82/204357282.db2.gz QXNFFAFAZVCKPT-GDNBJRDFSA-N 0 0 364.386 2.582 40 5 FFBBRN C[C@H]1CCCC[C@@H]1n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O ZINC000040398659 205068711 /nfs/dbraw/zinc/06/87/11/205068711.db2.gz HYHQXMUAMWABSY-UGSOOPFHSA-N 0 0 352.438 2.660 40 5 FFBBRN CCOC(=O)C1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C)=C(C)N1 ZINC000054244996 205198518 /nfs/dbraw/zinc/19/85/18/205198518.db2.gz KCBMRXBARFGOCC-OAHLLOKOSA-N 0 0 374.393 2.956 40 5 FFBBRN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O ZINC000005046212 206188242 /nfs/dbraw/zinc/18/82/42/206188242.db2.gz WHHGYWCEAHCDOC-UHFFFAOYSA-N 0 0 370.390 2.573 40 5 FFBBRN CCOc1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000216329652 206358646 /nfs/dbraw/zinc/35/86/46/206358646.db2.gz JACSHSUJGSFEIV-UHFFFAOYSA-N 0 0 350.396 2.613 40 5 FFBBRN CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)cc1 ZINC000224864024 206464943 /nfs/dbraw/zinc/46/49/43/206464943.db2.gz HXVDCVHZUJHYGQ-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000007388553 263350400 /nfs/dbraw/zinc/35/04/00/263350400.db2.gz UTLHRQUEMKRQSL-UHFFFAOYSA-N 0 0 361.379 2.739 40 5 FFBBRN [NH2+]=C1N=C2[N-]C(=O)c3ccccc3N2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000022288995 263385873 /nfs/dbraw/zinc/38/58/73/263385873.db2.gz HUQVLYPPFMCQQN-CYBMUJFWSA-N 0 0 370.756 2.756 40 5 FFBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1OC(F)F ZINC000003383547 506326398 /nfs/dbraw/zinc/32/63/98/506326398.db2.gz BQCPRCAOWLQLTM-UHFFFAOYSA-N 0 0 366.276 2.992 40 5 FFBBRN Cc1ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003502691 506338066 /nfs/dbraw/zinc/33/80/66/506338066.db2.gz PLMDBHKISGZOST-UHFFFAOYSA-N 0 0 359.294 2.607 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C(C)C)o1 ZINC000006617029 506492234 /nfs/dbraw/zinc/49/22/34/506492234.db2.gz ZIULQQDEVNMSQB-UHFFFAOYSA-N 0 0 352.372 2.841 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000007881848 506599401 /nfs/dbraw/zinc/59/94/01/506599401.db2.gz KFTCHJTUJZILQE-LBPRGKRZSA-N 0 0 355.350 2.595 40 5 FFBBRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000014220321 506979326 /nfs/dbraw/zinc/97/93/26/506979326.db2.gz RFXRXCKPDNZLSH-LLVKDONJSA-N 0 0 366.395 2.652 40 5 FFBBRN Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000022530694 507296745 /nfs/dbraw/zinc/29/67/45/507296745.db2.gz USVNFCKBSRJERV-UHFFFAOYSA-N 0 0 372.406 2.567 40 5 FFBBRN O=[N+]([O-])c1ccc(OCc2nn3c(CN4CCCCC4)nnc3s2)cc1 ZINC000071260527 507699032 /nfs/dbraw/zinc/69/90/32/507699032.db2.gz DJMCBUIAVFIWOM-UHFFFAOYSA-N 0 0 374.426 2.659 40 5 FFBBRN O=C(Nc1ccc(I)cn1)c1ccccc1[N+](=O)[O-] ZINC000103247975 508303799 /nfs/dbraw/zinc/30/37/99/508303799.db2.gz UFWFVISSZCTXFK-UHFFFAOYSA-N 0 0 369.118 2.847 40 5 FFBBRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000104977715 508355606 /nfs/dbraw/zinc/35/56/06/508355606.db2.gz SVXSHKPVMIUAJR-UHFFFAOYSA-N 0 0 370.394 2.814 40 5 FFBBRN Cc1ccc(C)c(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000224002668 509352323 /nfs/dbraw/zinc/35/23/23/509352323.db2.gz SWYJTPZOOFLYQY-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000224074363 509353482 /nfs/dbraw/zinc/35/34/82/509353482.db2.gz LMKDCOYJDSZNFJ-UHFFFAOYSA-N 0 0 364.423 2.877 40 5 FFBBRN CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224748272 509361480 /nfs/dbraw/zinc/36/14/80/509361480.db2.gz BDUANZRCFFHQEZ-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN Cc1c(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000225009495 509363326 /nfs/dbraw/zinc/36/33/26/509363326.db2.gz GBDYTCIORZZEOM-UHFFFAOYSA-N 0 0 351.340 2.637 40 5 FFBBRN CN1C(=O)N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409190100 513099840 /nfs/dbraw/zinc/09/98/40/513099840.db2.gz WIXNOZZGDAGJFW-XNTDXEJSSA-N 0 0 353.334 2.696 40 5 FFBBRN CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225025805 209796563 /nfs/dbraw/zinc/79/65/63/209796563.db2.gz TZFVREVBIZKCGW-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000053064878 506306626 /nfs/dbraw/zinc/30/66/26/506306626.db2.gz KEHGPPJHXIEKNA-GOSISDBHSA-N 0 0 360.435 2.784 40 5 FFBBRN COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000003397664 506327252 /nfs/dbraw/zinc/32/72/52/506327252.db2.gz XESJEZXLPIVSBL-UHFFFAOYSA-N 0 0 374.349 2.716 40 5 FFBBRN COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000003399809 506327580 /nfs/dbraw/zinc/32/75/80/506327580.db2.gz GZHJUZHDXCTIFN-UHFFFAOYSA-N 0 0 374.349 2.716 40 5 FFBBRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000004129573 506360689 /nfs/dbraw/zinc/36/06/89/506360689.db2.gz TWGARLZNHWHWLL-UHFFFAOYSA-N 0 0 370.394 2.814 40 5 FFBBRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000014220408 506980127 /nfs/dbraw/zinc/98/01/27/506980127.db2.gz OEZSHOYXEYWWTN-LLVKDONJSA-N 0 0 366.395 2.652 40 5 FFBBRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000014234019 506982079 /nfs/dbraw/zinc/98/20/79/506982079.db2.gz AMLLCIZONFYAMK-LLVKDONJSA-N 0 0 366.395 2.652 40 5 FFBBRN COc1cc(OC)cc(-c2nc(Sc3ccc([N+](=O)[O-])cn3)n[nH]2)c1 ZINC000107749126 507865642 /nfs/dbraw/zinc/86/56/42/507865642.db2.gz RJDUIHCIUJMWPT-UHFFFAOYSA-N 0 0 359.367 2.943 40 5 FFBBRN Cc1ccc(N2C[C@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1[N+](=O)[O-] ZINC000408641795 513090069 /nfs/dbraw/zinc/09/00/69/513090069.db2.gz MZOLSNJHBYMHFM-HNFVBEJKSA-N 0 0 359.426 2.951 40 5 FFBBRN CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224898593 209793019 /nfs/dbraw/zinc/79/30/19/209793019.db2.gz ZMKGQFRXEWDHTN-UHFFFAOYSA-N 0 0 363.395 2.768 40 5 FFBBRN CCc1ccccc1NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000000786389 209376244 /nfs/dbraw/zinc/37/62/44/209376244.db2.gz QMYBTDJPWNXFEK-UHFFFAOYSA-N 0 0 353.176 2.755 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000104948516 209262898 /nfs/dbraw/zinc/26/28/98/209262898.db2.gz WNDUXEMQZFNLRT-UHFFFAOYSA-N 0 0 355.350 2.983 40 5 FFBBRN CC[C@@](Br)([C@@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC ZINC000096521654 209154874 /nfs/dbraw/zinc/15/48/74/209154874.db2.gz DWYYUUUTVODQRY-RYUDHWBXSA-N 0 0 366.233 2.564 40 5 FFBBRN Cc1cccc(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000008508718 207234916 /nfs/dbraw/zinc/23/49/16/207234916.db2.gz VNDVSARGSASBND-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN CCOc1ccccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000044885176 208320725 /nfs/dbraw/zinc/32/07/25/208320725.db2.gz MCBAMSMYQHKHNQ-UHFFFAOYSA-N 0 0 350.396 2.613 40 5 FFBBRN COc1ccc(C(=O)NCc2ccc(OCC[N+](C)(C)[O-])cc2)cc1OC ZINC000065743104 506354928 /nfs/dbraw/zinc/35/49/28/506354928.db2.gz PZXRVVNIISGQFI-UHFFFAOYSA-N 0 0 374.437 2.587 40 5 in-vitro FFBBRN O=C1C=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CCCCC2)O1 ZINC000004184574 506364255 /nfs/dbraw/zinc/36/42/55/506364255.db2.gz YDLZFUCLGUBXIU-UHFFFAOYSA-N 0 0 357.410 2.860 40 5 FFBBRN O=C(N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1)c1ccccc1 ZINC000004893770 506402351 /nfs/dbraw/zinc/40/23/51/506402351.db2.gz LIHRATGSIMSCOY-NBVRZTHBSA-N 0 0 365.389 2.988 40 5 FFBBRN CCC(=O)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000010042356 506722305 /nfs/dbraw/zinc/72/23/05/506722305.db2.gz SDJOPAXYQHJLOH-UHFFFAOYSA-N 0 0 358.350 2.957 40 5 FFBBRN COc1ccc(OC)c(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000224772882 509360659 /nfs/dbraw/zinc/36/06/59/509360659.db2.gz ZVRPRDFUFSOXKA-UHFFFAOYSA-N 0 0 366.395 2.746 40 5 FFBBRN Cc1c(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000224756145 509360792 /nfs/dbraw/zinc/36/07/92/509360792.db2.gz ISDZCDDNANJXQR-UHFFFAOYSA-N 0 0 351.340 2.637 40 5 FFBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000409010874 513097388 /nfs/dbraw/zinc/09/73/88/513097388.db2.gz FXSWQJWEXKWLSD-XNFYSYIQSA-N 0 0 364.379 2.891 40 5 FFBBRN Cc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)n(-c2ccccc2)n1 ZINC000020353075 525166516 /nfs/dbraw/zinc/16/65/16/525166516.db2.gz HSEKCLYLWFBPKY-UHFFFAOYSA-N 0 0 354.370 2.541 40 5 FFBBRN COc1ccc([C@]2(C)NC(=S)N(c3ccc([N+](=O)[O-])cc3)N2)c(OC)c1 ZINC000225341295 209807218 /nfs/dbraw/zinc/80/72/18/209807218.db2.gz MWQDSYACGLBPDE-QGZVFWFLSA-N 0 0 374.422 2.684 40 5 FFBBRN COC(=O)c1cccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000225090599 209798240 /nfs/dbraw/zinc/79/82/40/209798240.db2.gz PWSRYMPRTFQHNH-UHFFFAOYSA-N 0 0 364.379 2.515 40 5 FFBBRN COc1c(I)ccc(Br)c1[N+](=O)[O-] ZINC000098211030 209207351 /nfs/dbraw/zinc/20/73/51/209207351.db2.gz UWZJFFQEYDCQMO-UHFFFAOYSA-N 0 0 357.929 2.971 40 5 FFBBRN CC(=O)N(COc1ccc([N+](=O)[O-])cc1)COc1ccc([N+](=O)[O-])cc1 ZINC000005480883 207102526 /nfs/dbraw/zinc/10/25/26/207102526.db2.gz ZONNCSOOLAQRTB-UHFFFAOYSA-N 0 0 361.310 2.724 40 5 FFBBRN Cc1ccc2c(c1)CCCN2CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000004797727 132255235 /nfs/dbraw/zinc/25/52/35/132255235.db2.gz YLBKTELHCLTRJT-UHFFFAOYSA-N 0 0 351.362 2.910 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000010544253 263366377 /nfs/dbraw/zinc/36/63/77/263366377.db2.gz QTVMBDYXLTVQMF-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000020528431 263381745 /nfs/dbraw/zinc/38/17/45/263381745.db2.gz LIXCCRDEHVDCMK-UHFFFAOYSA-N 0 0 361.310 2.838 40 5 FFBBRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc([N+](=O)[O-])o1 ZINC000021124262 263383479 /nfs/dbraw/zinc/38/34/79/263383479.db2.gz NBUQCBXJQQBKPZ-UHFFFAOYSA-N 0 0 356.323 2.606 40 5 FFBBRN COc1cccc(C(Nc2nncs2)Nc2nncs2)c1[N+](=O)[O-] ZINC000001612131 506266281 /nfs/dbraw/zinc/26/62/81/506266281.db2.gz RZLHSLKUXLFJTM-UHFFFAOYSA-N 0 0 365.400 2.529 40 5 FFBBRN COc1cc([C@@H]2Nn3c(nnc3-c3cccc([N+](=O)[O-])c3)S2)ccc1O ZINC000003843228 506349895 /nfs/dbraw/zinc/34/98/95/506349895.db2.gz YEQSAJDQLBEPSP-OAHLLOKOSA-N 0 0 371.378 2.916 40 5 FFBBRN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000007882626 506598652 /nfs/dbraw/zinc/59/86/52/506598652.db2.gz GJTGAOBGRKWAAX-HIFRSBDPSA-N 0 0 353.378 2.825 40 5 FFBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2ccccc2F)c1 ZINC000013674981 506950068 /nfs/dbraw/zinc/95/00/68/506950068.db2.gz RKMAQKUZHGTHEB-UHFFFAOYSA-N 0 0 370.427 2.946 40 5 FFBBRN CCOc1cccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000014257550 506984095 /nfs/dbraw/zinc/98/40/95/506984095.db2.gz ICCMJGQAVPLBCX-UHFFFAOYSA-N 0 0 360.395 2.625 40 5 FFBBRN COc1ccc(CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000152054009 509137105 /nfs/dbraw/zinc/13/71/05/509137105.db2.gz SBEBXHALHUEHOJ-UHFFFAOYSA-N 0 0 364.423 2.656 40 5 FFBBRN COC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000225006908 509363415 /nfs/dbraw/zinc/36/34/15/509363415.db2.gz JOYUCZOYNZQBLD-UHFFFAOYSA-N 0 0 364.379 2.515 40 5 FFBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NC[C@H]1COc2ccccc2O1 ZINC000225236816 509366742 /nfs/dbraw/zinc/36/67/42/509366742.db2.gz XEGZUXIYSNTDLV-HNNXBMFYSA-N 0 0 374.418 2.784 40 5 FFBBRN COc1cccc(OC)c1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225989606 509395277 /nfs/dbraw/zinc/39/52/77/509395277.db2.gz BVEROZRUFADPJE-UHFFFAOYSA-N 0 0 356.378 2.960 40 5 FFBBRN CSc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1 ZINC000408567123 513087706 /nfs/dbraw/zinc/08/77/06/513087706.db2.gz PUSBVSCTISMWMO-UCLAIMLFSA-N 0 0 369.446 2.930 40 5 FFBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223506189 209762921 /nfs/dbraw/zinc/76/29/21/209762921.db2.gz XLMJWWGJBRFCFO-OAHLLOKOSA-N 0 0 369.421 2.691 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(C)C)[C@H]2C1=O ZINC000005044530 207074832 /nfs/dbraw/zinc/07/48/32/207074832.db2.gz UJMIUWDBMSNVBU-CZAMWMTLSA-N 0 0 354.362 2.861 40 5 FFBBRN CC(=O)N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1 ZINC000008555043 207236296 /nfs/dbraw/zinc/23/62/96/207236296.db2.gz NNTGRSLZYVEVIO-LDADJPATSA-N 0 0 353.378 2.730 40 5 FFBBRN O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008470710 263354950 /nfs/dbraw/zinc/35/49/50/263354950.db2.gz LCNWRCQWGMGWGG-KRWDZBQOSA-N 0 0 369.377 2.756 40 5 FFBBRN COc1cc([C@@H]2Nn3c(nnc3-c3ccc([N+](=O)[O-])cc3)S2)ccc1O ZINC000003843212 506349996 /nfs/dbraw/zinc/34/99/96/506349996.db2.gz HVNUHYUIKVACBS-OAHLLOKOSA-N 0 0 371.378 2.916 40 5 FFBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000006362247 506478694 /nfs/dbraw/zinc/47/86/94/506478694.db2.gz UUQAVXDKKQWLJH-UHFFFAOYSA-N 0 0 352.368 2.721 40 5 FFBBRN CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000007882622 506599128 /nfs/dbraw/zinc/59/91/28/506599128.db2.gz CNKKIXJGRWMZPS-AWEZNQCLSA-N 0 0 367.361 2.789 40 5 FFBBRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000007882623 506599327 /nfs/dbraw/zinc/59/93/27/506599327.db2.gz GJTGAOBGRKWAAX-DZGCQCFKSA-N 0 0 353.378 2.825 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cccc(C)c2)CC1=O ZINC000007928438 506604315 /nfs/dbraw/zinc/60/43/15/506604315.db2.gz OYFKWSDNOPWVCR-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C)cc2)CC1=O ZINC000007928434 506604563 /nfs/dbraw/zinc/60/45/63/506604563.db2.gz OJHLUEZNLJRMRR-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN COc1cccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000008902377 506672948 /nfs/dbraw/zinc/67/29/48/506672948.db2.gz DCYMRLZRGSKYJH-UHFFFAOYSA-N 0 0 357.366 2.692 40 5 FFBBRN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(OC)c1OC ZINC000010542730 506746261 /nfs/dbraw/zinc/74/62/61/506746261.db2.gz CCIQABQRNNSYLD-UHFFFAOYSA-N 0 0 360.366 2.859 40 5 FFBBRN Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000020042560 507209315 /nfs/dbraw/zinc/20/93/15/507209315.db2.gz VYNXNFIKCLTFPR-UHFFFAOYSA-N 0 0 372.406 2.567 40 5 FFBBRN COCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000020241924 507214171 /nfs/dbraw/zinc/21/41/71/507214171.db2.gz HUSPIRJISYWUGP-UHFFFAOYSA-N 0 0 357.366 2.532 40 5 FFBBRN CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225000992 509363085 /nfs/dbraw/zinc/36/30/85/509363085.db2.gz WZFAEJYZYHSFMK-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN COCCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000408577114 513087797 /nfs/dbraw/zinc/08/77/97/513087797.db2.gz WOKHKYVMUHNAJL-UHFFFAOYSA-N 0 0 371.393 2.922 40 5 FFBBRN COCCCN1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000409252402 513100964 /nfs/dbraw/zinc/10/09/64/513100964.db2.gz RRFNJKYVDVZESX-UKTHLTGXSA-N 0 0 352.368 2.676 40 5 FFBBRN COc1cccc(-c2noc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000217863732 209661774 /nfs/dbraw/zinc/66/17/74/209661774.db2.gz IBQYQAGWJHOOEV-UHFFFAOYSA-N 0 0 354.322 2.583 40 5 FFBBRN COc1ccc(-c2noc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000217867624 209660273 /nfs/dbraw/zinc/66/02/73/209660273.db2.gz MPGXOJCIIUQCRM-UHFFFAOYSA-N 0 0 354.322 2.583 40 5 FFBBRN O=C1Nc2ccc(Br)cc2[C@]1(O)Cc1cccc([N+](=O)[O-])c1 ZINC000001735409 206893667 /nfs/dbraw/zinc/89/36/67/206893667.db2.gz YSSXYMPQDKWLDG-OAHLLOKOSA-N 0 0 363.167 2.740 40 5 FFBBRN CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000004066654 207000280 /nfs/dbraw/zinc/00/02/80/207000280.db2.gz MPOGNXFBWLAWGZ-FUEDEBDSSA-N 0 0 359.382 2.955 40 5 FFBBRN O=C1C/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccccc1 ZINC000005081372 207079537 /nfs/dbraw/zinc/07/95/37/207079537.db2.gz LJTHKSHWHOLILD-WUXMJOGZSA-N 0 0 352.302 2.670 40 5 FFBBRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000014234011 207512446 /nfs/dbraw/zinc/51/24/46/207512446.db2.gz FLOUGECVVLSSMH-LLVKDONJSA-N 0 0 366.395 2.652 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1-n1ccc2nc(N3CCCC3)ncc2c1=O ZINC000019959516 207721083 /nfs/dbraw/zinc/72/10/83/207721083.db2.gz UVZLPFJEEGLWHG-UHFFFAOYSA-N 0 0 351.366 2.598 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2c(c(C)n1)CCC2 ZINC000408582698 263475375 /nfs/dbraw/zinc/47/53/75/263475375.db2.gz PCDFDDMOADVVNN-UHFFFAOYSA-N 0 0 374.422 2.921 40 5 FFBBRN COCCCN1C(=S)N[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@@H]2C ZINC000003906891 506352842 /nfs/dbraw/zinc/35/28/42/506352842.db2.gz XRMJGIYUXDPIPP-OOVXXXAESA-N 0 0 351.428 2.607 40 5 FFBBRN Cc1ccc(S(=O)(=O)CCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000006479850 506484419 /nfs/dbraw/zinc/48/44/19/506484419.db2.gz LSDZVKCCENNARC-UHFFFAOYSA-N 0 0 363.391 2.810 40 5 FFBBRN CCOc1ccccc1CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013669313 506949601 /nfs/dbraw/zinc/94/96/01/506949601.db2.gz BRVHSAHOJHXGPB-UHFFFAOYSA-N 0 0 364.423 2.905 40 5 FFBBRN Cc1c(C(=O)Nc2ccc(CN3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000019683132 507190473 /nfs/dbraw/zinc/19/04/73/507190473.db2.gz SDTDGVWNEZMEDE-UHFFFAOYSA-N 0 0 355.394 2.988 40 5 FFBBRN O=C(CN1C(=O)COc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000057564962 507287680 /nfs/dbraw/zinc/28/76/80/507287680.db2.gz PTXWWHBGGVHHSH-UHFFFAOYSA-N 0 0 361.741 2.612 40 5 FFBBRN Cc1cccc(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000223932325 509351224 /nfs/dbraw/zinc/35/12/24/509351224.db2.gz KKYXYTHSMOIJEE-UHFFFAOYSA-N 0 0 364.423 2.877 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000224142610 509355637 /nfs/dbraw/zinc/35/56/37/509355637.db2.gz QABDGIUWURYBDC-UHFFFAOYSA-N 0 0 370.814 2.914 40 5 FFBBRN CC(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)n1 ZINC000329027073 511968855 /nfs/dbraw/zinc/96/88/55/511968855.db2.gz PQUIEICTWJTNMH-UHFFFAOYSA-N 0 0 355.320 2.680 40 5 FFBBRN Cc1c(C(N)=O)c2ccccc2n1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000216934978 525672515 /nfs/dbraw/zinc/67/25/15/525672515.db2.gz XVGGXPUHBFOPPP-UHFFFAOYSA-N 0 0 353.334 2.676 40 5 FFBBRN COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000225034171 209796341 /nfs/dbraw/zinc/79/63/41/209796341.db2.gz GTJDQUNYJPTTCD-UHFFFAOYSA-N 0 0 364.379 2.515 40 5 FFBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(n2nnc3ccccc32)CC1 ZINC000001380491 209390663 /nfs/dbraw/zinc/39/06/63/209390663.db2.gz SLBXXZSCZGFFKE-UHFFFAOYSA-N 0 0 351.366 2.817 40 5 FFBBRN CCc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000878017 209380535 /nfs/dbraw/zinc/38/05/35/209380535.db2.gz SFMOPHBASNNWCQ-UHFFFAOYSA-N 0 0 366.381 2.758 40 5 FFBBRN Cc1c(Cl)cccc1NC(=O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000869942 209378266 /nfs/dbraw/zinc/37/82/66/209378266.db2.gz KPXXRCFEBICUPJ-UHFFFAOYSA-N 0 0 372.772 2.849 40 5 FFBBRN CCc1ccc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc1[N+](=O)[O-] ZINC000096193534 209131373 /nfs/dbraw/zinc/13/13/73/209131373.db2.gz GPPBQEGSPRDAFB-UHFFFAOYSA-N 0 0 357.370 2.812 40 5 FFBBRN Cc1ccc(N2C[C@H](C(=O)OCc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000024522600 206749683 /nfs/dbraw/zinc/74/96/83/206749683.db2.gz VMZURHHTXLRPMW-OAHLLOKOSA-N 0 0 354.362 3.000 40 5 FFBBRN COc1ccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000007214417 207190806 /nfs/dbraw/zinc/19/08/06/207190806.db2.gz WIUPGSBRKKAYCC-UHFFFAOYSA-N 0 0 350.396 2.733 40 5 FFBBRN C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@H](C)C3)n2)C1 ZINC000102750274 132236236 /nfs/dbraw/zinc/23/62/36/132236236.db2.gz COZXRWRXROFHAP-IGQOVBAYSA-N 0 0 362.478 2.932 40 5 FFBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(c2ccccc2F)CC1 ZINC000057439812 136129432 /nfs/dbraw/zinc/12/94/32/136129432.db2.gz RSPFSKPABYBNKP-UHFFFAOYSA-N 0 0 372.400 2.803 40 5 FFBBRN [NH2+]=C1N=C2[N-]C(=O)c3ccccc3N2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000022288999 263386304 /nfs/dbraw/zinc/38/63/04/263386304.db2.gz HUQVLYPPFMCQQN-ZDUSSCGKSA-N 0 0 370.756 2.756 40 5 FFBBRN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408573359 263474242 /nfs/dbraw/zinc/47/42/42/263474242.db2.gz CNSKUTVKLHODBD-UHFFFAOYSA-N 0 0 371.393 2.922 40 5 FFBBRN CCOc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000009140791 506683935 /nfs/dbraw/zinc/68/39/35/506683935.db2.gz QKYSXNIJSALHGI-UHFFFAOYSA-N 0 0 359.407 2.798 40 5 FFBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc21 ZINC000010010597 506721442 /nfs/dbraw/zinc/72/14/42/506721442.db2.gz XEFSOWDKNUREQV-UHFFFAOYSA-N 0 0 364.295 2.967 40 5 FFBBRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000020044724 507209892 /nfs/dbraw/zinc/20/98/92/507209892.db2.gz HQGNPGMTAISSJI-UHFFFAOYSA-N 0 0 369.786 2.872 40 5 FFBBRN CCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccncc2)n1 ZINC000328993734 511963313 /nfs/dbraw/zinc/96/33/13/511963313.db2.gz JAQCFVGDOZLICL-UHFFFAOYSA-N 0 0 354.345 2.605 40 5 FFBBRN Cc1ccc(N2C[C@@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1[N+](=O)[O-] ZINC000408641794 513090495 /nfs/dbraw/zinc/09/04/95/513090495.db2.gz MZOLSNJHBYMHFM-BLZCZZARSA-N 0 0 359.426 2.951 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000408644891 513090573 /nfs/dbraw/zinc/09/05/73/513090573.db2.gz TZRWNLYKDWDXAV-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)N(c2ccccc2)C1=O ZINC000409010542 513097217 /nfs/dbraw/zinc/09/72/17/513097217.db2.gz FNOHPZWQPQRQDI-MDWZMJQESA-N 0 0 369.333 2.709 40 5 FFBBRN CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1 ZINC000005296667 207091821 /nfs/dbraw/zinc/09/18/21/207091821.db2.gz UWGRBTBBPBRZJV-KRWDZBQOSA-N 0 0 370.321 2.570 40 5 FFBBRN COc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1[N+](=O)[O-] ZINC000006305043 207135940 /nfs/dbraw/zinc/13/59/40/207135940.db2.gz IRASKVNMWOZTNF-UHFFFAOYSA-N 0 0 370.321 2.955 40 5 FFBBRN C[C@H]1CCCC[C@H]1n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O ZINC000040398661 208251070 /nfs/dbraw/zinc/25/10/70/208251070.db2.gz HYHQXMUAMWABSY-SCLBCKFNSA-N 0 0 352.438 2.660 40 5 FFBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2ccccc2C)cc1[N+](=O)[O-] ZINC000008560839 263356250 /nfs/dbraw/zinc/35/62/50/263356250.db2.gz UAXJECOSCLTHFA-UHFFFAOYSA-N 0 0 361.310 2.838 40 5 FFBBRN CC(C)Oc1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000010543827 263366526 /nfs/dbraw/zinc/36/65/26/263366526.db2.gz FTSIETNLGPNHIB-UHFFFAOYSA-N 0 0 350.396 2.861 40 5 FFBBRN COc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OC ZINC000001041619 506246510 /nfs/dbraw/zinc/24/65/10/506246510.db2.gz LPZZENADTAWWJF-ZSOIEALJSA-N 0 0 354.318 2.957 40 5 FFBBRN Cc1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000003506722 506338446 /nfs/dbraw/zinc/33/84/46/506338446.db2.gz ZJHWHSHFJLNOSA-UHFFFAOYSA-N 0 0 359.294 2.607 40 5 FFBBRN COc1ccc(C(=O)OCC(=O)c2ccc(OC(C)=O)cc2)cc1[N+](=O)[O-] ZINC000006296371 506476457 /nfs/dbraw/zinc/47/64/57/506476457.db2.gz BGASHWCEWFHMSJ-UHFFFAOYSA-N 0 0 373.317 2.568 40 5 FFBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000007881800 506599295 /nfs/dbraw/zinc/59/92/95/506599295.db2.gz BIWMCYUDWGFEAJ-HNNXBMFYSA-N 0 0 353.378 2.890 40 5 FFBBRN COc1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000014153116 506972918 /nfs/dbraw/zinc/97/29/18/506972918.db2.gz ZXPLWSULRPPYLA-UHFFFAOYSA-N 0 0 363.757 2.625 40 5 FFBBRN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000014234022 506981801 /nfs/dbraw/zinc/98/18/01/506981801.db2.gz AMLLCIZONFYAMK-NSHDSACASA-N 0 0 366.395 2.652 40 5 FFBBRN COc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000014399504 506990597 /nfs/dbraw/zinc/99/05/97/506990597.db2.gz KZPWNVIQXLTIMR-UHFFFAOYSA-N 0 0 350.396 2.733 40 5 FFBBRN Cc1c(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000015197345 507025138 /nfs/dbraw/zinc/02/51/38/507025138.db2.gz HAGNBDVDDKDFIN-GFCCVEGCSA-N 0 0 362.407 2.798 40 5 FFBBRN COc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000028435979 507726313 /nfs/dbraw/zinc/72/63/13/507726313.db2.gz AGLUYKPBWHILMY-LBPRGKRZSA-N 0 0 355.350 2.595 40 5 FFBBRN C[C@]1(CBr)[C@H]2CC[C@]1(C)C(=O)[C@]2(Br)[N+](=O)[O-] ZINC000253485715 509884693 /nfs/dbraw/zinc/88/46/93/509884693.db2.gz QNOPRINAANCQME-SFKDOBOXSA-N 0 0 355.026 2.755 40 5 FFBBRN CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccc(C)cc2)C1 ZINC000408562837 513086675 /nfs/dbraw/zinc/08/66/75/513086675.db2.gz DVWCYRSNAURSSF-LJQANCHMSA-N 0 0 369.377 2.736 40 5 FFBBRN CC(=O)N1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000408629078 513090172 /nfs/dbraw/zinc/09/01/72/513090172.db2.gz LQFMDBRIHRCBMA-UHFFFAOYSA-N 0 0 368.393 2.516 40 5 FFBBRN O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000408626453 513090221 /nfs/dbraw/zinc/09/02/21/513090221.db2.gz HJXIVRRQWUXMOU-UHFFFAOYSA-N 0 0 369.358 2.828 40 5 FFBBRN CC(C)C1=C[C@@](O)(C(F)(F)F)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000409060551 513098365 /nfs/dbraw/zinc/09/83/65/513098365.db2.gz XFJWNZALIKKGOP-CQSZACIVSA-N 0 0 359.304 2.633 40 5 FFBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409215398 513099757 /nfs/dbraw/zinc/09/97/57/513099757.db2.gz XWAILQJRKXRCMP-NTUHNPAUSA-N 0 0 364.379 2.830 40 5 FFBBRN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)OCc1ccccc1 ZINC000020294609 525524362 /nfs/dbraw/zinc/52/43/62/525524362.db2.gz GBIZRZJCDKRTCD-UHFFFAOYSA-N 0 0 354.160 2.606 40 5 FFBBRN CC[C@@](Br)(C(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC ZINC000096518708 209154772 /nfs/dbraw/zinc/15/47/72/209154772.db2.gz MYXMNJORBKPEHC-LBPRGKRZSA-N 0 0 364.217 2.713 40 5 FFBBRN COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000005354711 207095751 /nfs/dbraw/zinc/09/57/51/207095751.db2.gz MWJFUQAQJFVIQZ-SGTLLEGYSA-N 0 0 373.409 2.521 40 5 FFBBRN Cc1ccc(-c2nnc3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000009189068 207260946 /nfs/dbraw/zinc/26/09/46/207260946.db2.gz YZSFLPQQOJCPRM-XNTDXEJSSA-N 0 0 364.386 2.582 40 5 FFBBRN COc1cc([N+](=O)[O-])cc(Br)c1I ZINC000036532922 207270118 /nfs/dbraw/zinc/27/01/18/207270118.db2.gz FEKKRBFCDJPVCH-UHFFFAOYSA-N 0 0 357.929 2.971 40 5 FFBBRN COc1ccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000020047302 207722828 /nfs/dbraw/zinc/72/28/28/207722828.db2.gz GKUSQQKNTJDROO-LBPRGKRZSA-N 0 0 350.396 2.951 40 5 FFBBRN O=[N+]([O-])c1cccc(Cn2nc(Br)nc2Br)c1 ZINC000071978801 208791793 /nfs/dbraw/zinc/79/17/93/208791793.db2.gz WNBYSRXGWKIZGP-UHFFFAOYSA-N 0 0 361.981 2.760 40 5 FFBBRN COc1ccc2c(c1)oc(=O)c1c(N)nc(-c3ccc4c(c3)OCO4)nc21 ZINC000039377204 263399398 /nfs/dbraw/zinc/39/93/98/263399398.db2.gz UYGWVUXGHAHOEJ-UHFFFAOYSA-N 0 0 363.329 2.723 40 5 FFBBRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409382902 263553434 /nfs/dbraw/zinc/55/34/34/263553434.db2.gz XOBHRFNFARFGFJ-UHFFFAOYSA-N 0 0 370.770 2.836 40 5 FFBBRN CC(=O)Oc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000001227945 506256520 /nfs/dbraw/zinc/25/65/20/506256520.db2.gz JBYSSHUHAVLLCX-SXGWCWSVSA-N 0 0 352.302 2.865 40 5 FFBBRN O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)NC1C2CC3CC(C2)CC1C3 ZINC000002777576 506291648 /nfs/dbraw/zinc/29/16/48/506291648.db2.gz RFMSKOFYYCVCNB-UHFFFAOYSA-N 0 0 352.822 2.776 40 5 FFBBRN COc1ccc(O)c(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000009064256 506681471 /nfs/dbraw/zinc/68/14/71/506681471.db2.gz ADEGPYWETUIISK-UHFFFAOYSA-N 0 0 361.379 2.744 40 5 FFBBRN COc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000014220404 506980046 /nfs/dbraw/zinc/98/00/46/506980046.db2.gz HGWUOGQFFNLLPZ-LLVKDONJSA-N 0 0 366.395 2.652 40 5 FFBBRN CC(=O)n1c(C)nc2c1SC(c1ccc([N+](=O)[O-])cc1)=NN2C(C)=O ZINC000016777223 507105834 /nfs/dbraw/zinc/10/58/34/507105834.db2.gz XYXAOZVLXMQEHI-UHFFFAOYSA-N 0 0 359.367 2.580 40 5 FFBBRN O=c1c2cnc(N3CCCCC3)nc2ccn1-c1cccc([N+](=O)[O-])c1 ZINC000019958849 507207974 /nfs/dbraw/zinc/20/79/74/507207974.db2.gz QVQGPXGROBFYRD-UHFFFAOYSA-N 0 0 351.366 2.679 40 5 FFBBRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225022544 509362458 /nfs/dbraw/zinc/36/24/58/509362458.db2.gz QGQPEPMKJFQCTI-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225009131 509362664 /nfs/dbraw/zinc/36/26/64/509362664.db2.gz QYSBHFZRYUUMQS-UHFFFAOYSA-N 0 0 351.340 2.637 40 5 FFBBRN CC(C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccnc2)n1 ZINC000329014396 511967139 /nfs/dbraw/zinc/96/71/39/511967139.db2.gz MVWIQDFSJJCKEQ-UHFFFAOYSA-N 0 0 364.409 2.723 40 5 FFBBRN CCNc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2cccnc2)n1 ZINC000329033812 511971343 /nfs/dbraw/zinc/97/13/43/511971343.db2.gz QWFMDGXEPRNEBZ-UHFFFAOYSA-N 0 0 350.382 2.774 40 5 FFBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2ccccn2)nc(NC2CC2)n1 ZINC000329040156 511972063 /nfs/dbraw/zinc/97/20/63/511972063.db2.gz SAMGKKSORUXQMH-UHFFFAOYSA-N 0 0 366.356 2.748 40 5 FFBBRN CCNc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2ccccn2)n1 ZINC000329054711 511974279 /nfs/dbraw/zinc/97/42/79/511974279.db2.gz VKVDGOZKWPAXJK-UHFFFAOYSA-N 0 0 350.382 2.774 40 5 FFBBRN CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccc(F)cc2)C1 ZINC000408564375 513087034 /nfs/dbraw/zinc/08/70/34/513087034.db2.gz ZOWGRQFNMGYYAV-SFHVURJKSA-N 0 0 373.340 2.566 40 5 FFBBRN CCc1ccc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc1 ZINC000408564986 513087187 /nfs/dbraw/zinc/08/71/87/513087187.db2.gz GWDUSSMYWCRBMK-ZAAXVRCTSA-N 0 0 351.406 2.771 40 5 FFBBRN CCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000022259485 517692799 /nfs/dbraw/zinc/69/27/99/517692799.db2.gz OBVZEIYCWAJUJC-UHFFFAOYSA-N 0 0 374.349 2.798 40 5 FFBBRN COc1cccc(-c2noc(CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000218133363 525738368 /nfs/dbraw/zinc/73/83/68/525738368.db2.gz TWGXCVLLTFWTPH-UHFFFAOYSA-N 0 0 368.349 2.892 40 5 FFBBRN Cc1c(Nc2cc(C(F)(F)F)nc(NC3CC3)n2)cccc1[N+](=O)[O-] ZINC000329068041 210134993 /nfs/dbraw/zinc/13/49/93/210134993.db2.gz YNHJVYPZVCEBRT-UHFFFAOYSA-N 0 0 353.304 2.874 40 5 FFBBRN O=[N+]([O-])c1cc(Nc2cc(-c3cccnc3)nc(NC3CC3)n2)ccc1F ZINC000329047072 210133984 /nfs/dbraw/zinc/13/39/84/210133984.db2.gz UEMLBHRTYFJXKQ-UHFFFAOYSA-N 0 0 366.356 2.748 40 5 FFBBRN O=[N+]([O-])c1ccccc1NNS(=O)(=O)c1ccc(Br)cc1 ZINC000005555517 210084872 /nfs/dbraw/zinc/08/48/72/210084872.db2.gz HYTTYJDSVHDGQC-UHFFFAOYSA-N 0 0 372.200 2.663 40 5 FFBBRN COc1ccc(O)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000014257618 220120903 /nfs/dbraw/zinc/12/09/03/220120903.db2.gz WNQSLIHNLMICJC-UHFFFAOYSA-N 0 0 361.379 2.744 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccc(Cl)cc1 ZINC000022276872 211346588 /nfs/dbraw/zinc/34/65/88/211346588.db2.gz NYUGARIMNCXJHI-UHFFFAOYSA-N 0 0 370.814 2.914 40 5 FFBBRN COc1ccc2[nH]c([S@](=O)Cc3ncc(C)c([N+](=O)[O-])c3C)nc2c1 ZINC000022056169 211336460 /nfs/dbraw/zinc/33/64/60/211336460.db2.gz PFDONLPWKWJOCD-VWLOTQADSA-N 0 0 360.395 2.799 40 5 in-vitro FFBBRN CCn1c(C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000013989795 211067830 /nfs/dbraw/zinc/06/78/30/211067830.db2.gz QACOPMHYWPYCDJ-UHFFFAOYSA-N 0 0 355.807 2.899 40 5 FFBBRN O=C(OCCCOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000001702776 210365472 /nfs/dbraw/zinc/36/54/72/210365472.db2.gz IKCYUVOOHVMABP-UHFFFAOYSA-N 0 0 374.305 2.907 40 5 FFBBRN CCOC(=O)c1sc2ncn(Cc3ccccc3[N+](=O)[O-])c(=O)c2c1C ZINC000060698741 221132771 /nfs/dbraw/zinc/13/27/71/221132771.db2.gz QAXUTYPBNPGLQN-UHFFFAOYSA-N 0 0 373.390 2.900 40 5 FFBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)cc1 ZINC000003383546 506326083 /nfs/dbraw/zinc/32/60/83/506326083.db2.gz VZMFWKUPPRPHFW-UHFFFAOYSA-N 0 0 366.276 2.992 40 5 FFBBRN O=C(Nc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000006248610 506472879 /nfs/dbraw/zinc/47/28/79/506472879.db2.gz WLNWFOLCBJQHEM-UHFFFAOYSA-N 0 0 372.337 2.592 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1nnn(-c2ccccc2)c1C ZINC000040179142 506478898 /nfs/dbraw/zinc/47/88/98/506478898.db2.gz WHQMANKOUIOKJW-UHFFFAOYSA-N 0 0 353.338 2.745 40 5 FFBBRN Cc1nnc(NC(=O)CCCC(=O)OCc2ccc([N+](=O)[O-])cc2)s1 ZINC000008474137 506652812 /nfs/dbraw/zinc/65/28/12/506652812.db2.gz HDPPPAHYCIGSHP-UHFFFAOYSA-N 0 0 364.383 2.607 40 5 FFBBRN Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000044841829 506893924 /nfs/dbraw/zinc/89/39/24/506893924.db2.gz DUTMTDDAJHZYRG-UHFFFAOYSA-N 0 0 372.406 2.567 40 5 FFBBRN COCCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000014795965 507000992 /nfs/dbraw/zinc/00/09/92/507000992.db2.gz GRIYOHKEDBZJEQ-UHFFFAOYSA-N 0 0 357.366 2.613 40 5 FFBBRN CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224754409 509360969 /nfs/dbraw/zinc/36/09/69/509360969.db2.gz JQOFVIGNHIHRTN-UHFFFAOYSA-N 0 0 351.340 2.718 40 5 FFBBRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000224745494 509361628 /nfs/dbraw/zinc/36/16/28/509361628.db2.gz VBYLFGRAETUDJB-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225032543 509362855 /nfs/dbraw/zinc/36/28/55/509362855.db2.gz DVOBBTOREMCEEK-UHFFFAOYSA-N 0 0 364.379 2.581 40 5 FFBBRN COc1cccc(OC)c1C(=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020496222 526218229 /nfs/dbraw/zinc/21/82/29/526218229.db2.gz KMODPZDHYRPSIV-UHFFFAOYSA-N 0 0 370.321 2.914 40 5 FFBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(C(F)(F)F)nc(NC2CC2)n1 ZINC000329031277 210130305 /nfs/dbraw/zinc/13/03/05/210130305.db2.gz QIGFDGOTYNDCGH-UHFFFAOYSA-N 0 0 357.267 2.704 40 5 FFBBRN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000059132311 212014910 /nfs/dbraw/zinc/01/49/10/212014910.db2.gz XSWGQJRSSVCQNX-UHFFFAOYSA-N 0 0 357.731 2.957 40 5 FFBBRN Cc1cc(OCC(=O)NCc2nc(-c3cccs3)no2)ccc1[N+](=O)[O-] ZINC000022257529 211343657 /nfs/dbraw/zinc/34/36/57/211343657.db2.gz LHODDUGDSOVHGI-UHFFFAOYSA-N 0 0 374.378 2.710 40 5 FFBBRN Cn1c2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc2c(=S)n(C)c1=O ZINC000017379734 211185435 /nfs/dbraw/zinc/18/54/35/211185435.db2.gz MSIAPUQXVAQIMD-UHFFFAOYSA-N 0 0 363.424 2.530 40 5 FFBBRN COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000016083811 211155001 /nfs/dbraw/zinc/15/50/01/211155001.db2.gz WFRLCIPFMHRUOH-LBPRGKRZSA-N 0 0 350.396 2.951 40 5 FFBBRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000066013757 221237690 /nfs/dbraw/zinc/23/76/90/221237690.db2.gz WSVMDYUVBIRAOT-UHFFFAOYSA-N 0 0 362.338 2.638 40 5 FFBBRN CC(Cc1ccccc1)C(=O)C(=O)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000104305606 222356046 /nfs/dbraw/zinc/35/60/46/222356046.db2.gz HMGLJYCUKZSRKZ-FPISAVPCSA-N 0 0 365.345 2.891 40 5 FFBBRN COc1cccc(CCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000010543439 263366280 /nfs/dbraw/zinc/36/62/80/263366280.db2.gz UDTYPBMWXDLOPQ-UHFFFAOYSA-N 0 0 364.423 2.823 40 5 FFBBRN COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)cc1 ZINC000003406103 506329653 /nfs/dbraw/zinc/32/96/53/506329653.db2.gz GIISVUUKEAKJTP-UHFFFAOYSA-N 0 0 357.395 2.868 40 5 FFBBRN O=C(Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000005635266 506451167 /nfs/dbraw/zinc/45/11/67/506451167.db2.gz WWUNUMOOSOOFKB-UHFFFAOYSA-N 0 0 368.227 2.695 40 5 FFBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)[C@H]2c2ccccc21 ZINC000005669005 506452455 /nfs/dbraw/zinc/45/24/55/506452455.db2.gz TZPGTEGLWDWRRN-VDHUWJSZSA-N 0 0 362.341 2.554 40 5 FFBBRN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000006607268 506490696 /nfs/dbraw/zinc/49/06/96/506490696.db2.gz BNHHXXNYZGFMLA-UHFFFAOYSA-N 0 0 363.761 2.903 40 5 FFBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)CCCC1=O ZINC000008475182 506652685 /nfs/dbraw/zinc/65/26/85/506652685.db2.gz NVSZRIFXWARVMW-UHFFFAOYSA-N 0 0 367.361 2.691 40 5 FFBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000008902441 506672964 /nfs/dbraw/zinc/67/29/64/506672964.db2.gz OBSPZERARGLHCC-UHFFFAOYSA-N 0 0 372.337 2.592 40 5 FFBBRN N[C@@H](c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533989 508197760 /nfs/dbraw/zinc/19/77/60/508197760.db2.gz IOYFNKDPAULTGZ-OAHLLOKOSA-N 0 0 359.773 2.993 40 5 FFBBRN Cc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000132232180 509007107 /nfs/dbraw/zinc/00/71/07/509007107.db2.gz SKPNNSVSXOTGJM-UHFFFAOYSA-N 0 0 351.340 2.637 40 5 FFBBRN CCc1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1CC ZINC000216101961 509256255 /nfs/dbraw/zinc/25/62/55/509256255.db2.gz INZCIEYOOBXHMB-UHFFFAOYSA-N 0 0 365.415 2.508 40 5 FFBBRN Cc1cccc(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000223923289 509350573 /nfs/dbraw/zinc/35/05/73/509350573.db2.gz DVHZCAGZXSQMRK-UHFFFAOYSA-N 0 0 364.423 2.877 40 5 FFBBRN CCc1ccc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000223975588 509350740 /nfs/dbraw/zinc/35/07/40/509350740.db2.gz FVMIPXMZACEXDT-UHFFFAOYSA-N 0 0 350.396 2.515 40 5 FFBBRN CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224746134 509361515 /nfs/dbraw/zinc/36/15/15/509361515.db2.gz ACDBTLCEEMCXMO-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN O=C(N1CCN(Cc2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991507 509395566 /nfs/dbraw/zinc/39/55/66/509395566.db2.gz XTDXWHSOKKTIBL-UHFFFAOYSA-N 0 0 365.433 2.971 40 5 FFBBRN COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000408562825 513087017 /nfs/dbraw/zinc/08/70/17/513087017.db2.gz DPXUZEYGIBXIHF-UHFFFAOYSA-N 0 0 371.393 2.922 40 5 FFBBRN CN1C[C@H](c2ccc(Cl)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408568310 513087879 /nfs/dbraw/zinc/08/78/79/513087879.db2.gz SXXTXEUWOOOPFR-SKDZVZGDSA-N 0 0 357.797 2.862 40 5 FFBBRN O=C(NC(=S)Nc1ccccn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408628934 513090265 /nfs/dbraw/zinc/09/02/65/513090265.db2.gz YIPSGKPUVQENMM-UHFFFAOYSA-N 0 0 371.422 2.717 40 5 FFBBRN COc1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408657683 513090431 /nfs/dbraw/zinc/09/04/31/513090431.db2.gz IUUIQVYMYYIZLT-LBPRGKRZSA-N 0 0 356.334 2.562 40 5 FFBBRN CCCCSc1n[n+]2cnc3ccc(Br)cc3c2c(=O)[n-]1 ZINC000588227670 518758092 /nfs/dbraw/zinc/75/80/92/518758092.db2.gz UEZJMGSZCYARTN-UHFFFAOYSA-O 0 0 366.264 2.712 40 5 FFBBRN CC(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329028375 210131779 /nfs/dbraw/zinc/13/17/79/210131779.db2.gz PUIGPPVTABKKNV-UHFFFAOYSA-N 0 0 355.320 2.680 40 5 FFBBRN Cc1cc2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3c2cc1C ZINC000000886038 219336140 /nfs/dbraw/zinc/33/61/40/219336140.db2.gz CJKBSINIJQMRSN-SXGWCWSVSA-N 0 0 351.387 2.982 40 5 FFBBRN CCc1ccc(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223976122 222801670 /nfs/dbraw/zinc/80/16/70/222801670.db2.gz IMGCZMITDIXFNK-UHFFFAOYSA-N 0 0 364.423 2.823 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000032127169 211546203 /nfs/dbraw/zinc/54/62/03/211546203.db2.gz QFQSAQLUASRTPW-UHFFFAOYSA-N 0 0 359.363 2.759 40 5 FFBBRN CCOc1cccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000022512527 211352891 /nfs/dbraw/zinc/35/28/91/211352891.db2.gz GDDPDAYHGRWXKG-UHFFFAOYSA-N 0 0 350.396 2.613 40 5 FFBBRN CCc1nc2c(n1C(C)=O)SC(c1cccc([N+](=O)[O-])c1)=NN2C(C)=O ZINC000016777686 211168529 /nfs/dbraw/zinc/16/85/29/211168529.db2.gz TTWMPCHNEOPMMX-UHFFFAOYSA-N 0 0 373.394 2.834 40 5 FFBBRN C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197070 211123784 /nfs/dbraw/zinc/12/37/84/211123784.db2.gz QCSAJWNWCRHTGJ-YFTXEMMHSA-N 0 0 374.418 2.889 40 5 FFBBRN O=C1CCCc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 ZINC000013634147 211044743 /nfs/dbraw/zinc/04/47/43/211044743.db2.gz WLQVKINHCAWZRC-UHFFFAOYSA-N 0 0 355.379 2.844 40 5 FFBBRN COc1ccc2c(c1)oc(=O)c1c(N)nc(-c3cccc([N+](=O)[O-])c3)nc21 ZINC000020259509 220320781 /nfs/dbraw/zinc/32/07/81/220320781.db2.gz GWFYLRHLMHTPDS-UHFFFAOYSA-N 0 0 364.317 2.902 40 5 FFBBRN COc1ccc(CCCNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000066026791 221238380 /nfs/dbraw/zinc/23/83/80/221238380.db2.gz VKWVHPKSJDOWRB-UHFFFAOYSA-N 0 0 374.393 2.740 40 5 FFBBRN COc1cc(OCC(=O)N[C@@H](C)COc2ccccc2C)ccc1[N+](=O)[O-] ZINC000068799211 221318197 /nfs/dbraw/zinc/31/81/97/221318197.db2.gz AXFUJYBPCBDDPI-AWEZNQCLSA-N 0 0 374.393 2.874 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000132366483 222540312 /nfs/dbraw/zinc/54/03/12/222540312.db2.gz UETCKYVLQIUMOP-UHFFFAOYSA-N 0 0 351.340 2.637 40 5 FFBBRN O=C(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000006526565 506486672 /nfs/dbraw/zinc/48/66/72/506486672.db2.gz JDPPEOVECBWZKV-UHFFFAOYSA-N 0 0 373.321 2.965 40 5 FFBBRN NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000006528584 506487917 /nfs/dbraw/zinc/48/79/17/506487917.db2.gz VDOMECDHOAXWSW-UHFFFAOYSA-N 0 0 364.155 2.709 40 5 FFBBRN CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000007882621 506599360 /nfs/dbraw/zinc/59/93/60/506599360.db2.gz CNKKIXJGRWMZPS-CQSZACIVSA-N 0 0 367.361 2.789 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000055416693 506746639 /nfs/dbraw/zinc/74/66/39/506746639.db2.gz RUTNBSGFGHMNOJ-UHFFFAOYSA-N 0 0 363.395 2.551 40 5 FFBBRN CC(C)NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000014009123 506962605 /nfs/dbraw/zinc/96/26/05/506962605.db2.gz RVWMVQPPSTYDLQ-UHFFFAOYSA-N 0 0 372.337 2.894 40 5 FFBBRN COc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408649922 513090469 /nfs/dbraw/zinc/09/04/69/513090469.db2.gz AOJGESLAXFECIY-CYBMUJFWSA-N 0 0 370.361 2.870 40 5 FFBBRN O=C(NCCSCc1ccco1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408923072 513095905 /nfs/dbraw/zinc/09/59/05/513095905.db2.gz FDRMOHTWRFBSBS-UHFFFAOYSA-N 0 0 351.340 2.759 40 5 FFBBRN COc1cccc(-c2noc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 ZINC000217944012 525737310 /nfs/dbraw/zinc/73/73/10/525737310.db2.gz LFKZLVRBJJPDFV-UHFFFAOYSA-N 0 0 368.349 2.892 40 5 FFBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2cccnc2)nc(NC2CC2)n1 ZINC000329063364 210135961 /nfs/dbraw/zinc/13/59/61/210135961.db2.gz XDISHJWMWVNKST-UHFFFAOYSA-N 0 0 366.356 2.748 40 5 FFBBRN CC(C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccn2)n1 ZINC000329050602 210133152 /nfs/dbraw/zinc/13/31/52/210133152.db2.gz UTPIXOLVBHCPRY-UHFFFAOYSA-N 0 0 364.409 2.723 40 5 FFBBRN CCNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000329021735 210130299 /nfs/dbraw/zinc/13/02/99/210130299.db2.gz OIFIIGMPRUJZMK-UHFFFAOYSA-N 0 0 354.345 2.605 40 5 FFBBRN CC(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000328969893 210127750 /nfs/dbraw/zinc/12/77/50/210127750.db2.gz DFMPJEVELNUDTG-UHFFFAOYSA-N 0 0 364.409 2.723 40 5 FFBBRN COC(=O)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000222596381 222741151 /nfs/dbraw/zinc/74/11/51/222741151.db2.gz RLGRYWCTIXTAFL-UHFFFAOYSA-N 0 0 360.347 2.573 40 5 FFBBRN CC(C)C(=O)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014257683 220120838 /nfs/dbraw/zinc/12/08/38/220120838.db2.gz BVTOMQCWDIBKES-UHFFFAOYSA-N 0 0 350.425 2.609 40 5 FFBBRN COc1cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000015137023 211124275 /nfs/dbraw/zinc/12/42/75/211124275.db2.gz VRXXIZIPWDBRGT-RMKNXTFCSA-N 0 0 372.377 2.950 40 5 FFBBRN COc1cc([C@H]2Nn3c(nnc3-c3ccc([N+](=O)[O-])cc3)S2)ccc1O ZINC000003843214 210496321 /nfs/dbraw/zinc/49/63/21/210496321.db2.gz HVNUHYUIKVACBS-HNNXBMFYSA-N 0 0 371.378 2.916 40 5 FFBBRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066015842 221238541 /nfs/dbraw/zinc/23/85/41/221238541.db2.gz KHEACQFTADFIFL-GFCCVEGCSA-N 0 0 360.366 2.868 40 5 FFBBRN O=C(Nc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004902739 132825297 /nfs/dbraw/zinc/82/52/97/132825297.db2.gz XBOLXZCJMMGMHS-UHFFFAOYSA-N 0 0 363.320 2.962 40 5 FFBBRN CCc1ccc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc1 ZINC000408564981 263472463 /nfs/dbraw/zinc/47/24/63/263472463.db2.gz GWDUSSMYWCRBMK-QKYXUNIQSA-N 0 0 351.406 2.771 40 5 FFBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(n2nnc3cc(F)ccc32)CC1 ZINC000001380803 506260223 /nfs/dbraw/zinc/26/02/23/506260223.db2.gz HOXGKZNTTWKKSA-UHFFFAOYSA-N 0 0 369.356 2.956 40 5 FFBBRN CC1(C)[C@@H]2C[C@@H](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@](C)(O)C[C@@H]21 ZINC000004104767 506359270 /nfs/dbraw/zinc/35/92/70/506359270.db2.gz DOQGAWGDESPWSO-UMPJEAMMSA-N 0 0 364.354 2.845 40 5 biogenic,in-vitro FFBBRN COc1ccccc1[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000005120362 506422934 /nfs/dbraw/zinc/42/29/34/506422934.db2.gz HCTRBPOZGHLXDR-GFCCVEGCSA-N 0 0 350.396 2.951 40 5 FFBBRN O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000007708181 506583819 /nfs/dbraw/zinc/58/38/19/506583819.db2.gz RZVKZYZYOGPDBM-UHFFFAOYSA-N 0 0 361.379 2.522 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccccc2)CC1=O ZINC000007928439 506604296 /nfs/dbraw/zinc/60/42/96/506604296.db2.gz FWIWICXPUKZXBC-GFCCVEGCSA-N 0 0 355.350 2.595 40 5 FFBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCc2ccc(F)cc2)c1 ZINC000044904378 506900433 /nfs/dbraw/zinc/90/04/33/506900433.db2.gz KEWRJJQUHIRYNG-UHFFFAOYSA-N 0 0 352.387 2.786 40 5 FFBBRN O=C(Nc1ccccc1)C(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020523184 507224008 /nfs/dbraw/zinc/22/40/08/507224008.db2.gz OJXIDLFIKCWALX-UHFFFAOYSA-N 0 0 370.434 2.683 40 5 FFBBRN COc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000028435981 507725807 /nfs/dbraw/zinc/72/58/07/507725807.db2.gz AGLUYKPBWHILMY-GFCCVEGCSA-N 0 0 355.350 2.595 40 5 FFBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2ccco2)c1 ZINC000216242188 509257483 /nfs/dbraw/zinc/25/74/83/509257483.db2.gz OVCKMJJBXIHQAL-UHFFFAOYSA-N 0 0 356.425 2.541 40 5 FFBBRN Cc1ccccc1OCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223975960 509351581 /nfs/dbraw/zinc/35/15/81/509351581.db2.gz RWQGBEBCOIVKSB-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225024888 509362501 /nfs/dbraw/zinc/36/25/01/509362501.db2.gz YXJLLIGLUDKDCO-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN COc1cc([N+](=O)[O-])cc2cc(C(=O)Nn3c(C)cc(C=O)c3C)oc21 ZINC000408568213 513088193 /nfs/dbraw/zinc/08/81/93/513088193.db2.gz SDILBIOBFQWVKT-UHFFFAOYSA-N 0 0 357.322 2.964 40 5 FFBBRN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408638151 513090442 /nfs/dbraw/zinc/09/04/42/513090442.db2.gz BMBFGEOIMNELOL-CYBMUJFWSA-N 0 0 369.377 2.985 40 5 FFBBRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408643721 513090458 /nfs/dbraw/zinc/09/04/58/513090458.db2.gz RISSGTQYHUEBRF-LBPRGKRZSA-N 0 0 355.350 2.595 40 5 FFBBRN COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000007882376 219831796 /nfs/dbraw/zinc/83/17/96/219831796.db2.gz RCGQPDWXEXKOTC-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN COc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000022509744 211352058 /nfs/dbraw/zinc/35/20/58/211352058.db2.gz KKBQLRBYNNPCCF-UHFFFAOYSA-N 0 0 352.368 2.554 40 5 FFBBRN COc1ccc(CCNC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cc1OC ZINC000002582883 263145592 /nfs/dbraw/zinc/14/55/92/263145592.db2.gz KTKKWHPOSNJWIQ-UHFFFAOYSA-N 0 0 366.320 2.863 40 5 FFBBRN O=C(CCC(=O)OCc1ccccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1 ZINC000006591804 506490990 /nfs/dbraw/zinc/49/09/90/506490990.db2.gz GOASHTHYQNDMFN-UHFFFAOYSA-N 0 0 373.321 2.965 40 5 FFBBRN CC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009062427 506679033 /nfs/dbraw/zinc/67/90/33/506679033.db2.gz GEGXQUAQSSQUHN-UHFFFAOYSA-N 0 0 367.321 2.856 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000010314536 506737759 /nfs/dbraw/zinc/73/77/59/506737759.db2.gz ABGFOXPYBXZPFF-UHFFFAOYSA-N 0 0 363.395 2.835 40 5 FFBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1nc(-c2ccccc2)no1 ZINC000044778884 506885517 /nfs/dbraw/zinc/88/55/17/506885517.db2.gz CIWKXEUXQPGBII-MDZDMXLPSA-N 0 0 350.334 2.974 40 5 FFBBRN Cc1c(C(=O)NCc2cccc(CN3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000047276399 507300382 /nfs/dbraw/zinc/30/03/82/507300382.db2.gz MPGORSNZZJKFNB-UHFFFAOYSA-N 0 0 369.421 2.665 40 5 FFBBRN CCOc1ccc([C@@H](N)c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OC ZINC000095534227 508197788 /nfs/dbraw/zinc/19/77/88/508197788.db2.gz VKUBQLZVPPNNSE-MRXNPFEDSA-N 0 0 369.381 2.835 40 5 FFBBRN CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224753933 509360893 /nfs/dbraw/zinc/36/08/93/509360893.db2.gz MAYDCTBQEVUEKB-UHFFFAOYSA-N 0 0 364.379 2.581 40 5 FFBBRN CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225000389 509362170 /nfs/dbraw/zinc/36/21/70/509362170.db2.gz ZMYIVJXMBOQSAQ-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN C[C@@]1(CBr)[C@H]2CC[C@]1(C)C(=O)[C@]2(Br)[N+](=O)[O-] ZINC000253485713 509884721 /nfs/dbraw/zinc/88/47/21/509884721.db2.gz QNOPRINAANCQME-PEBGCTIMSA-N 0 0 355.026 2.755 40 5 FFBBRN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000408601159 513088567 /nfs/dbraw/zinc/08/85/67/513088567.db2.gz AFJMDWPPFYFTMD-UHFFFAOYSA-N 0 0 363.395 2.971 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000408641385 513090643 /nfs/dbraw/zinc/09/06/43/513090643.db2.gz KFFIELBOJXJLMB-AWEZNQCLSA-N 0 0 369.377 2.591 40 5 FFBBRN COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c(OC)c1OC ZINC000217875234 524067213 /nfs/dbraw/zinc/06/72/13/524067213.db2.gz FOOHBLHLRYXPMX-UHFFFAOYSA-N 0 0 360.366 2.859 40 5 FFBBRN Cc1nccn1-c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000020104554 527370859 /nfs/dbraw/zinc/37/08/59/527370859.db2.gz HLGFCQLEFKPTLK-UHFFFAOYSA-N 0 0 350.378 2.948 40 5 FFBBRN CC=C1C[N@+](C)([O-])[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@@H]2C(=O)OC ZINC000252581863 210213588 /nfs/dbraw/zinc/21/35/88/210213588.db2.gz SCBWVOFEDKLZRF-PKFOARFXSA-N 0 0 368.433 2.975 40 5 biogenic,in-vitro FFBBRN CC(CCNC(=O)c1ccccc1)(CCNC(=O)c1ccccc1)[N+](=O)[O-] ZINC000001706478 210367810 /nfs/dbraw/zinc/36/78/10/210367810.db2.gz WGVBLKXGQMNPID-UHFFFAOYSA-N 0 0 369.421 2.662 40 5 FFBBRN CC(C)c1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000101979405 222288756 /nfs/dbraw/zinc/28/87/56/222288756.db2.gz ASSAIQCXARDORQ-MPYUCWHUSA-N 0 0 374.462 2.693 40 5 FFBBRN O=[N+]([O-])c1ncn(-c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)n1 ZINC000003909572 506353930 /nfs/dbraw/zinc/35/39/30/506353930.db2.gz OMAOJYQVQFQOBD-UHFFFAOYSA-N 0 0 354.223 2.790 40 5 FFBBRN COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000005480749 506443954 /nfs/dbraw/zinc/44/39/54/506443954.db2.gz ACQONOVWRBWMHI-CZAMWMTLSA-N 0 0 354.362 2.861 40 5 FFBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000005764013 506456550 /nfs/dbraw/zinc/45/65/50/506456550.db2.gz RMXBUIIYBFDSLU-NWDGAFQWSA-N 0 0 372.356 2.547 40 5 FFBBRN O=C(CSc1ncn(-c2ccccc2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000011475140 506777124 /nfs/dbraw/zinc/77/71/24/506777124.db2.gz UGZDQRPRRFCAPG-UHFFFAOYSA-N 0 0 355.379 2.906 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1-n1ccc2nc(N3CCCCC3)ncc2c1=O ZINC000019958910 507208083 /nfs/dbraw/zinc/20/80/83/507208083.db2.gz HLXRLNDHEMWTJF-UHFFFAOYSA-N 0 0 365.393 2.988 40 5 FFBBRN COc1ccc(C(=O)NCc2noc(-c3ccc(C)cc3)n2)cc1[N+](=O)[O-] ZINC000107871503 507871631 /nfs/dbraw/zinc/87/16/31/507871631.db2.gz KHBRLSQBYKNSTB-UHFFFAOYSA-N 0 0 368.349 2.892 40 5 FFBBRN CCOc1cc([C@@H](N)c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)ccc1OC ZINC000095534381 508198137 /nfs/dbraw/zinc/19/81/37/508198137.db2.gz GOMJIXHWKZVWES-MRXNPFEDSA-N 0 0 369.381 2.835 40 5 FFBBRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217863397 509272636 /nfs/dbraw/zinc/27/26/36/509272636.db2.gz PRTCNACHEGPMSN-MRXNPFEDSA-N 0 0 362.407 2.879 40 5 FFBBRN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000217867213 509273168 /nfs/dbraw/zinc/27/31/68/509273168.db2.gz YLOQBPAGHLNMAU-MRXNPFEDSA-N 0 0 362.407 2.879 40 5 FFBBRN CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224749489 509361640 /nfs/dbraw/zinc/36/16/40/509361640.db2.gz AYDAVOOMPVAXSE-UHFFFAOYSA-N 0 0 350.352 2.539 40 5 FFBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000255188904 509920890 /nfs/dbraw/zinc/92/08/90/509920890.db2.gz MKOAQGHKFKHSGO-UHFFFAOYSA-N 0 0 360.713 2.855 40 5 FFBBRN O=C(NCCO)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408974605 513096818 /nfs/dbraw/zinc/09/68/18/513096818.db2.gz FKDODLOGNVRZHX-UHFFFAOYSA-N 0 0 369.384 2.602 40 5 FFBBRN O=[N+]([O-])c1ccc(O[C@@H]2C[C@H](O)[C@@H]3O[C@@H](c4ccccc4)OC[C@H]3O2)cc1 ZINC000584578734 518406734 /nfs/dbraw/zinc/40/67/34/518406734.db2.gz PDDCYVLEUQIGRC-PJVZLEMVSA-N 0 0 373.361 2.564 40 5 FFBBRN COc1cccc(-c2noc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2)c1 ZINC000217877935 525738261 /nfs/dbraw/zinc/73/82/61/525738261.db2.gz NQSKEVCGBHCASQ-UHFFFAOYSA-N 0 0 368.349 2.892 40 5 FFBBRN COc1c(I)cc(Br)cc1[N+](=O)[O-] ZINC000169800548 571254235 /nfs/dbraw/zinc/25/42/35/571254235.db2.gz CXOUTSIFAJBDGY-UHFFFAOYSA-N 0 0 357.929 2.971 40 5 FFBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000225111770 571294110 /nfs/dbraw/zinc/29/41/10/571294110.db2.gz JQZXZRZETWURMZ-UHFFFAOYSA-N 0 0 370.358 2.576 40 5 FFBBRN COC(=O)c1cn(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc12 ZINC000222595751 222741392 /nfs/dbraw/zinc/74/13/92/222741392.db2.gz JJGWDDZWBMXKQI-UHFFFAOYSA-N 0 0 374.374 2.882 40 5 FFBBRN O=C(COC(=O)c1ccc(Br)o1)c1cccc([N+](=O)[O-])c1 ZINC000005344333 210081435 /nfs/dbraw/zinc/08/14/35/210081435.db2.gz APAXELGRYSWFSN-UHFFFAOYSA-N 0 0 354.112 2.990 40 5 FFBBRN Cc1ccccc1OCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000224154092 222807694 /nfs/dbraw/zinc/80/76/94/222807694.db2.gz LTCTZFVQYGEDPF-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN CCOc1ccccc1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013670743 220083011 /nfs/dbraw/zinc/08/30/11/220083011.db2.gz LZZSZOXHANTXEP-UHFFFAOYSA-N 0 0 364.423 2.905 40 5 FFBBRN C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@H](C)C3)n2)C1 ZINC000102750278 132236105 /nfs/dbraw/zinc/23/61/05/132236105.db2.gz COZXRWRXROFHAP-XUXIUFHCSA-N 0 0 362.478 2.932 40 5 FFBBRN CC[C@](Br)(C(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC ZINC000096518709 222122757 /nfs/dbraw/zinc/12/27/57/222122757.db2.gz MYXMNJORBKPEHC-GFCCVEGCSA-N 0 0 364.217 2.713 40 5 FFBBRN CC[C@@](Br)([C@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC ZINC000096521629 222124107 /nfs/dbraw/zinc/12/41/07/222124107.db2.gz RCKCXMZAOKNPDM-NEPJUHHUSA-N 0 0 366.233 2.564 40 5 FFBBRN O=[N+]([O-])c1ccc(Cl)cc1NCCNS(=O)(=O)Cc1ccccc1 ZINC000005518550 263341572 /nfs/dbraw/zinc/34/15/72/263341572.db2.gz DKUMDSYVFKZLCL-UHFFFAOYSA-N 0 0 369.830 2.780 40 5 FFBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1F ZINC000003383870 506325884 /nfs/dbraw/zinc/32/58/84/506325884.db2.gz YJWRLUHXIRCOEB-UHFFFAOYSA-N 0 0 354.240 2.808 40 5 FFBBRN O=C(NCc1ccco1)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981342 506411415 /nfs/dbraw/zinc/41/14/15/506411415.db2.gz WCKRLNCEBLCQKW-OAHLLOKOSA-N 0 0 358.354 2.501 40 5 FFBBRN O=C(CCC(=O)OCc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 ZINC000006526539 506486715 /nfs/dbraw/zinc/48/67/15/506486715.db2.gz UKWDUFYRZAVMNG-UHFFFAOYSA-N 0 0 373.321 2.965 40 5 FFBBRN COc1cccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000007214841 506543883 /nfs/dbraw/zinc/54/38/83/506543883.db2.gz PSNKGJNECGRMGT-UHFFFAOYSA-N 0 0 350.396 2.733 40 5 FFBBRN Cc1nc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)n[nH]1 ZINC000007342116 506553740 /nfs/dbraw/zinc/55/37/40/506553740.db2.gz YTKMEDRVOMUJLN-UHFFFAOYSA-N 0 0 357.189 2.759 40 5 FFBBRN COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000007927955 506602873 /nfs/dbraw/zinc/60/28/73/506602873.db2.gz WCULMGHXPBGGBZ-GFCCVEGCSA-N 0 0 355.350 2.595 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1ccco1 ZINC000014398729 506989248 /nfs/dbraw/zinc/98/92/48/506989248.db2.gz APCWCODZTMJXPS-UHFFFAOYSA-N 0 0 356.425 2.708 40 5 FFBBRN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000093928870 508161380 /nfs/dbraw/zinc/16/13/80/508161380.db2.gz FMCLXECILIWSQF-UHFFFAOYSA-N 0 0 363.395 2.687 40 5 FFBBRN CCOc1cc([C@H](N)c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)ccc1OC ZINC000095534376 508197641 /nfs/dbraw/zinc/19/76/41/508197641.db2.gz HBQFENCXNOLLNM-INIZCTEOSA-N 0 0 369.381 2.835 40 5 FFBBRN Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)cc1[N+](=O)[O-] ZINC000408641435 513090622 /nfs/dbraw/zinc/09/06/22/513090622.db2.gz LJZANKKMXGVGHD-OAHLLOKOSA-N 0 0 353.378 2.573 40 5 FFBBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000218162585 523545120 /nfs/dbraw/zinc/54/51/20/523545120.db2.gz GCMOQNNLYOHNOV-UHFFFAOYSA-N 0 0 352.350 2.846 40 5 FFBBRN COc1cccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000217864126 525737967 /nfs/dbraw/zinc/73/79/67/525737967.db2.gz NKEAWPNQOJBIIM-UHFFFAOYSA-N 0 0 368.349 2.926 40 5 FFBBRN COc1cccc(CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000020456058 525890269 /nfs/dbraw/zinc/89/02/69/525890269.db2.gz ZFGYCGFPTUKOAJ-UHFFFAOYSA-N 0 0 364.423 2.656 40 5 FFBBRN CC=C1C[N@@+](C)([O-])[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@@H]2C(=O)OC ZINC000252581865 210214426 /nfs/dbraw/zinc/21/44/26/210214426.db2.gz SCBWVOFEDKLZRF-XFASCWCVSA-N 0 0 368.433 2.975 40 5 biogenic,in-vitro FFBBRN Cc1ccc(NC(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl ZINC000000869944 219334119 /nfs/dbraw/zinc/33/41/19/219334119.db2.gz HZWPHCFDXWJELE-UHFFFAOYSA-N 0 0 372.772 2.849 40 5 FFBBRN CC(C)Oc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000010543838 263366562 /nfs/dbraw/zinc/36/65/62/263366562.db2.gz JYJPETYXEPYECI-UHFFFAOYSA-N 0 0 350.396 2.861 40 5 FFBBRN COc1ccc(C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000003474178 506335506 /nfs/dbraw/zinc/33/55/06/506335506.db2.gz DVCVOMHKIWXAMD-UHFFFAOYSA-N 0 0 374.349 2.716 40 5 FFBBRN COc1cccc2c1O[C@@]1(N3CCOCC3)CCCC[C@H]1[C@@H]2C[N+](=O)[O-] ZINC000035587088 506387282 /nfs/dbraw/zinc/38/72/82/506387282.db2.gz WZXCWLCTYQZXIV-GJYPPUQNSA-N 0 0 362.426 2.667 40 5 FFBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000006275643 506473862 /nfs/dbraw/zinc/47/38/62/506473862.db2.gz LICPABXSKJAFRE-UHFFFAOYSA-N 0 0 372.406 2.988 40 5 FFBBRN C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O ZINC000040398660 506481569 /nfs/dbraw/zinc/48/15/69/506481569.db2.gz HYHQXMUAMWABSY-FZKQIMNGSA-N 0 0 352.438 2.660 40 5 FFBBRN COc1ccc(-c2noc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000007759200 506588183 /nfs/dbraw/zinc/58/81/83/506588183.db2.gz QJXYGYWPLGRGHE-UHFFFAOYSA-N 0 0 368.349 2.892 40 5 FFBBRN COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927961 506602369 /nfs/dbraw/zinc/60/23/69/506602369.db2.gz QZKOEZQACDFHNM-GFCCVEGCSA-N 0 0 355.350 2.595 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccccc2C)CC1=O ZINC000007928441 506604329 /nfs/dbraw/zinc/60/43/29/506604329.db2.gz RQMZYTYXXANWCX-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN CC(Cc1ccccc1)C(=O)C(=O)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000008665334 506661966 /nfs/dbraw/zinc/66/19/66/506661966.db2.gz HMGLJYCUKZSRKZ-CCCPALQASA-N 0 0 365.345 2.891 40 5 FFBBRN COc1cc(OC)cc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c1 ZINC000073642369 507941581 /nfs/dbraw/zinc/94/15/81/507941581.db2.gz UEASLUCWABANKD-UHFFFAOYSA-N 0 0 355.350 2.691 40 5 FFBBRN COc1ccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000219826379 509291958 /nfs/dbraw/zinc/29/19/58/509291958.db2.gz LNZDAZGFCZPXTL-LBPRGKRZSA-N 0 0 360.366 2.868 40 5 FFBBRN Cc1cccc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000223923211 509350559 /nfs/dbraw/zinc/35/05/59/509350559.db2.gz MCIQZQNDFAJKCO-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nncn1-c1ccccn1 ZINC000000933991 219342879 /nfs/dbraw/zinc/34/28/79/219342879.db2.gz GMLSAYVOABZTAL-UHFFFAOYSA-N 0 0 370.394 2.610 40 5 FFBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2ccncc2)nc(NC2CC2)n1 ZINC000329068269 223132599 /nfs/dbraw/zinc/13/25/99/223132599.db2.gz YNYTTZCYMUFLSW-UHFFFAOYSA-N 0 0 366.356 2.748 40 5 FFBBRN O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000016545171 220186098 /nfs/dbraw/zinc/18/60/98/220186098.db2.gz DDXABENXGSUSKU-UHFFFAOYSA-N 0 0 353.334 2.507 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000017333980 220213483 /nfs/dbraw/zinc/21/34/83/220213483.db2.gz KDBBATDPMYMNIZ-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN O=C1c2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2CCCN12 ZINC000020798458 220341595 /nfs/dbraw/zinc/34/15/95/220341595.db2.gz DYZNMPWYGXAYSH-QGZVFWFLSA-N 0 0 351.362 2.746 40 5 FFBBRN O=c1c2cc3c(ccn(C4CCCCC4)c3=O)nc2ccn1-c1cc[nH]n1 ZINC000040399043 220904972 /nfs/dbraw/zinc/90/49/72/220904972.db2.gz WPFXNSZFSSWHBL-UHFFFAOYSA-N 0 0 361.405 2.929 40 5 FFBBRN O=C(Oc1ccc2oc(=O)sc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003058978 506310153 /nfs/dbraw/zinc/31/01/53/506310153.db2.gz SCUVUYBFIKPOTG-UHFFFAOYSA-N 0 0 362.275 2.890 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(C)C)[C@H]2C1=O ZINC000004305331 506369652 /nfs/dbraw/zinc/36/96/52/506369652.db2.gz RTUNLQSOBPMNDX-CZAMWMTLSA-N 0 0 354.362 2.861 40 5 FFBBRN O=C(CSc1n[nH]c(-c2ccccc2O)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000004892546 506402836 /nfs/dbraw/zinc/40/28/36/506402836.db2.gz YYSDPZQYCRKYDV-UHFFFAOYSA-N 0 0 371.378 2.816 40 5 FFBBRN O=C(NCc1cccs1)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981339 506411521 /nfs/dbraw/zinc/41/15/21/506411521.db2.gz RUPQAEREVYALKJ-HNNXBMFYSA-N 0 0 374.422 2.969 40 5 FFBBRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1N(C)S(C)(=O)=O ZINC000222473940 509317463 /nfs/dbraw/zinc/31/74/63/509317463.db2.gz UQSRYEXWMUGJJN-UHFFFAOYSA-N 0 0 363.395 2.551 40 5 FFBBRN CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225000635 509362951 /nfs/dbraw/zinc/36/29/51/509362951.db2.gz SSOBYUBVGXNSRN-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN O=[N+]([O-])c1ccc(O[C@@H]2C[C@H](O)[C@@H]3O[C@@H](c4ccccc4)OC[C@@H]3O2)cc1 ZINC000584578735 518406901 /nfs/dbraw/zinc/40/69/01/518406901.db2.gz PDDCYVLEUQIGRC-VMXHOPILSA-N 0 0 373.361 2.564 40 5 FFBBRN CCCCOC(=O)c1cc(Cl)c(Sc2nncn2N)c([N+](=O)[O-])c1 ZINC000070462513 221332354 /nfs/dbraw/zinc/33/23/54/221332354.db2.gz ODBQCPMRNLHIBO-UHFFFAOYSA-N 0 0 371.806 2.662 40 5 FFBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCOCC2)cc1NCc1ccccc1 ZINC000004894746 132255597 /nfs/dbraw/zinc/25/55/97/132255597.db2.gz IKGDUXGZBQUTJU-UHFFFAOYSA-N 0 0 358.354 2.952 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1-n1ccnc1 ZINC000020459760 263381372 /nfs/dbraw/zinc/38/13/72/263381372.db2.gz XJGQQNXCTLIEHF-UHFFFAOYSA-N 0 0 372.406 2.567 40 5 FFBBRN COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1OC ZINC000001041609 506245391 /nfs/dbraw/zinc/24/53/91/506245391.db2.gz ZRFWFMCSJCCNQW-ZROIWOOFSA-N 0 0 354.318 2.957 40 5 FFBBRN COc1ccccc1[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000005120360 506423054 /nfs/dbraw/zinc/42/30/54/506423054.db2.gz HCTRBPOZGHLXDR-LBPRGKRZSA-N 0 0 350.396 2.951 40 5 FFBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000006238459 506472767 /nfs/dbraw/zinc/47/27/67/506472767.db2.gz RQMVDIFKVKSRRH-UHFFFAOYSA-N 0 0 358.379 2.680 40 5 FFBBRN O=C(NC(=S)Nc1nccs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000006343825 506477209 /nfs/dbraw/zinc/47/72/09/506477209.db2.gz QWCIKNHPLNBGHI-UHFFFAOYSA-N 0 0 374.403 2.860 40 5 FFBBRN Cn1c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2n(C)c1=O ZINC000047081112 507261958 /nfs/dbraw/zinc/26/19/58/507261958.db2.gz MZAVDQXIXBBZMU-UHFFFAOYSA-N 0 0 360.757 2.691 40 5 FFBBRN O=C(Nc1cccnc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000059294345 507496063 /nfs/dbraw/zinc/49/60/63/507496063.db2.gz GNDCMFOVIWPQMH-UHFFFAOYSA-N 0 0 362.773 2.732 40 5 FFBBRN CCOc1ccc([C@H](N)c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1OC ZINC000095534236 508197829 /nfs/dbraw/zinc/19/78/29/508197829.db2.gz MHNDYUAFGXMHEJ-INIZCTEOSA-N 0 0 369.381 2.835 40 5 FFBBRN CC(=O)NC(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000085346810 508303107 /nfs/dbraw/zinc/30/31/07/508303107.db2.gz NCBGAKFZXXBKFO-UHFFFAOYSA-N 0 0 353.128 2.894 40 5 FFBBRN CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225038010 509364526 /nfs/dbraw/zinc/36/45/26/509364526.db2.gz UHAACGOFOXAFDE-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN CCOc1ccccc1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192976345 509721064 /nfs/dbraw/zinc/72/10/64/509721064.db2.gz DDAUJWOAIHQORY-UHFFFAOYSA-N 0 0 350.396 2.814 40 5 FFBBRN CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000408599936 513088939 /nfs/dbraw/zinc/08/89/39/513088939.db2.gz OZZQUKSGHDHMMN-UHFFFAOYSA-N 0 0 362.313 2.963 40 5 FFBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 ZINC000408617333 513089702 /nfs/dbraw/zinc/08/97/02/513089702.db2.gz ADTJNQASMQZWFD-UHFFFAOYSA-N 0 0 373.390 2.801 40 5 FFBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000409099198 513098504 /nfs/dbraw/zinc/09/85/04/513098504.db2.gz KAMHJYPBQVAEGO-KEXZDQNZSA-N 0 0 370.770 2.846 40 5 FFBBRN CC(C)Oc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000020045732 519779728 /nfs/dbraw/zinc/77/97/28/519779728.db2.gz PWUANHKPVCOINZ-UHFFFAOYSA-N 0 0 350.396 2.861 40 5 FFBBRN CNc1nc(Nc2ccc(OC)cc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000329025198 529833089 /nfs/dbraw/zinc/83/30/89/529833089.db2.gz PEFTYZZIQOTMFX-UHFFFAOYSA-N 0 0 351.366 2.690 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000008059966 219843131 /nfs/dbraw/zinc/84/31/31/219843131.db2.gz YACISGYHIHZBSB-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000013667871 220081566 /nfs/dbraw/zinc/08/15/66/220081566.db2.gz QPXWPNPTHDUOHC-UHFFFAOYSA-N 0 0 364.379 2.881 40 5 FFBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSc2ccccc2)c1 ZINC000044900634 220963436 /nfs/dbraw/zinc/96/34/36/220963436.db2.gz BXDATIHADNSHNR-UHFFFAOYSA-N 0 0 352.437 2.807 40 5 FFBBRN CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)OCC)CC1 ZINC000115971970 132374428 /nfs/dbraw/zinc/37/44/28/132374428.db2.gz GNJMGHSRPFGFQE-UHFFFAOYSA-N 0 0 350.371 2.551 40 5 FFBBRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000006379890 263345170 /nfs/dbraw/zinc/34/51/70/263345170.db2.gz DZCBQILSLOWTCI-UHFFFAOYSA-N 0 0 370.770 2.836 40 5 FFBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017076194 263372228 /nfs/dbraw/zinc/37/22/28/263372228.db2.gz HTOAQBUIXJWMOO-UHFFFAOYSA-N 0 0 372.337 2.592 40 5 FFBBRN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)c([N+](=O)[O-])cc1OC ZINC000001440151 506262017 /nfs/dbraw/zinc/26/20/17/506262017.db2.gz CEMSHLQLBWDFKF-MDWZMJQESA-N 0 0 354.318 2.957 40 5 FFBBRN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000053064879 506306562 /nfs/dbraw/zinc/30/65/62/506306562.db2.gz KEHGPPJHXIEKNA-SFHVURJKSA-N 0 0 360.435 2.784 40 5 FFBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000004853227 506398598 /nfs/dbraw/zinc/39/85/98/506398598.db2.gz BOHGIKHCUSVXPT-UHFFFAOYSA-N 0 0 355.262 2.862 40 5 FFBBRN O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981314 506411479 /nfs/dbraw/zinc/41/14/79/506411479.db2.gz LVGLAMQBIXGDFU-KRWDZBQOSA-N 0 0 368.393 2.908 40 5 FFBBRN O=C(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006526749 506485836 /nfs/dbraw/zinc/48/58/36/506485836.db2.gz CYJDUIWUADXRMQ-UHFFFAOYSA-N 0 0 373.321 2.965 40 5 FFBBRN CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927968 506602041 /nfs/dbraw/zinc/60/20/41/506602041.db2.gz RHSVFTJWOLLIRG-ZDUSSCGKSA-N 0 0 369.377 2.985 40 5 FFBBRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1NS(C)(=O)=O ZINC000010368175 506741351 /nfs/dbraw/zinc/74/13/51/506741351.db2.gz VXWZJDCSRJWRDV-UHFFFAOYSA-N 0 0 363.395 2.835 40 5 FFBBRN CCOc1ccccc1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000013612488 506947662 /nfs/dbraw/zinc/94/76/62/506947662.db2.gz RNYQERWUZBQXDD-UHFFFAOYSA-N 0 0 364.423 2.905 40 5 FFBBRN CC(C)(C)OC(=O)NC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000091355816 507982555 /nfs/dbraw/zinc/98/25/55/507982555.db2.gz NFABYLXQBYWZJK-UHFFFAOYSA-N 0 0 361.402 2.965 40 5 FFBBRN CCn1c2cc(NC(=O)Cc3ccccc3)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408536490 513085043 /nfs/dbraw/zinc/08/50/43/513085043.db2.gz WOHXDNQOSZVHJD-UHFFFAOYSA-N 0 0 368.393 2.932 40 5 FFBBRN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408638152 513090379 /nfs/dbraw/zinc/09/03/79/513090379.db2.gz BMBFGEOIMNELOL-ZDUSSCGKSA-N 0 0 369.377 2.985 40 5 FFBBRN CSC1=NN2[C@H](c3ccccc3[N+](=O)[O-])Nc3ccccc3[C@@H]2C(=O)N1 ZINC000588229081 518757646 /nfs/dbraw/zinc/75/76/46/518757646.db2.gz CNPRMHUGEBLPII-HUUCEWRRSA-N 0 0 369.406 2.826 40 5 FFBBRN COc1ccc(-c2noc(CNC(=O)Cc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000218162044 523291563 /nfs/dbraw/zinc/29/15/63/523291563.db2.gz CJICZDIKKGFNPJ-UHFFFAOYSA-N 0 0 368.349 2.512 40 5 FFBBRN COC(=O)c1cn(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000222595652 571144758 /nfs/dbraw/zinc/14/47/58/571144758.db2.gz CZLIJLDCCKOLFP-UHFFFAOYSA-N 0 0 360.347 2.573 40 5 FFBBRN CCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)n1CC ZINC000216102028 222659310 /nfs/dbraw/zinc/65/93/10/222659310.db2.gz QELRBTDREJYJGU-UHFFFAOYSA-N 0 0 365.415 2.508 40 5 FFBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000014257547 220121151 /nfs/dbraw/zinc/12/11/51/220121151.db2.gz ZIBJIFNFXCYTFY-UHFFFAOYSA-N 0 0 350.787 2.880 40 5 FFBBRN Cc1c(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cccc1[N+](=O)[O-] ZINC000019937312 220306076 /nfs/dbraw/zinc/30/60/76/220306076.db2.gz MRGRJCPMLXXMLL-UHFFFAOYSA-N 0 0 350.334 2.906 40 5 FFBBRN COc1cc(OCC(=O)NCc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000066013715 221238303 /nfs/dbraw/zinc/23/83/03/221238303.db2.gz ARWXBKLXMQADKP-UHFFFAOYSA-N 0 0 350.758 2.952 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O ZINC000409206799 263541603 /nfs/dbraw/zinc/54/16/03/263541603.db2.gz PZAWLBRKZCFHBW-XNTDXEJSSA-N 0 0 353.334 2.696 40 5 FFBBRN CC(=O)Nc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000001735679 506269078 /nfs/dbraw/zinc/26/90/78/506269078.db2.gz ZBOUJBDBBYWKSJ-SXGWCWSVSA-N 0 0 351.318 2.898 40 5 FFBBRN CCOc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000007215283 506543413 /nfs/dbraw/zinc/54/34/13/506543413.db2.gz ZTRNFZYJKPWDQY-UHFFFAOYSA-N 0 0 350.396 2.814 40 5 FFBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCOc2ccc(Cl)cc2)c1 ZINC000151371482 509006963 /nfs/dbraw/zinc/00/69/63/509006963.db2.gz AHKNEIQRNIYFKE-UHFFFAOYSA-N 0 0 370.814 2.747 40 5 FFBBRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222400918 509315439 /nfs/dbraw/zinc/31/54/39/509315439.db2.gz YKOCXFKJSGBBFI-HNNXBMFYSA-N 0 0 369.421 2.609 40 5 FFBBRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000408582093 513087600 /nfs/dbraw/zinc/08/76/00/513087600.db2.gz LUWXVRAPMQVXGH-UHFFFAOYSA-N 0 0 370.394 2.814 40 5 FFBBRN O=C(CN1C(=O)COc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000408599137 513089154 /nfs/dbraw/zinc/08/91/54/513089154.db2.gz FGNVBQDIHXWOKA-UHFFFAOYSA-N 0 0 361.741 2.612 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000408644889 513090613 /nfs/dbraw/zinc/09/06/13/513090613.db2.gz TZRWNLYKDWDXAV-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN COC(=O)c1cn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000222596476 571144789 /nfs/dbraw/zinc/14/47/89/571144789.db2.gz YVJOAKIDWHGQMN-UHFFFAOYSA-N 0 0 360.347 2.573 40 5 FFBBRN COc1cc(I)c([N+](=O)[O-])cc1Br ZINC000169800544 571254277 /nfs/dbraw/zinc/25/42/77/571254277.db2.gz LIQQFDPRYUYNMP-UHFFFAOYSA-N 0 0 357.929 2.971 40 5 FFBBRN COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(C)C)[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000017073275 220201682 /nfs/dbraw/zinc/20/16/82/220201682.db2.gz ACQONOVWRBWMHI-LZDSYCOUSA-N 0 0 354.362 2.861 40 5 FFBBRN CCN1CCN(c2c(Br)c(N)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000045891275 132375412 /nfs/dbraw/zinc/37/54/12/132375412.db2.gz BKFQZIBHVCAFNV-UHFFFAOYSA-N 0 0 363.643 2.735 40 5 FFBBRN CCOC(=O)C[C@@H](C(=O)OCC)c1nc2cccc3cccc([nH]c1=O)c32 ZINC000001654208 506266532 /nfs/dbraw/zinc/26/65/32/506266532.db2.gz RWCZUQFLXHNDGH-CYBMUJFWSA-N 0 0 368.389 2.676 40 5 FFBBRN CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000007882611 506598434 /nfs/dbraw/zinc/59/84/34/506598434.db2.gz HVOFUWVKMICPDE-CQSZACIVSA-N 0 0 367.361 2.789 40 5 FFBBRN COc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000007882337 506599310 /nfs/dbraw/zinc/59/93/10/506599310.db2.gz NZRKABMFCGCMPF-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN CCOc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009140612 506683917 /nfs/dbraw/zinc/68/39/17/506683917.db2.gz LLLMYIRXACLGDX-UHFFFAOYSA-N 0 0 360.395 2.625 40 5 FFBBRN Cc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000016479400 507093169 /nfs/dbraw/zinc/09/31/69/507093169.db2.gz RISUDYGASQJORC-UHFFFAOYSA-N 0 0 372.400 2.803 40 5 FFBBRN O=c1[nH]c(N2CCCCC2)nc2nccc(-c3cccc([N+](=O)[O-])c3)c12 ZINC000020635633 507229435 /nfs/dbraw/zinc/22/94/35/507229435.db2.gz ZEPDNSVKPMIYST-UHFFFAOYSA-N 0 0 351.366 2.884 40 5 FFBBRN Cc1cccc(-n2nnnc2SCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000026507314 507594833 /nfs/dbraw/zinc/59/48/33/507594833.db2.gz WYXMVGDZPFDADY-UHFFFAOYSA-N 0 0 355.379 2.854 40 5 FFBBRN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000217867292 509273415 /nfs/dbraw/zinc/27/34/15/509273415.db2.gz YLOQBPAGHLNMAU-INIZCTEOSA-N 0 0 362.407 2.879 40 5 FFBBRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000218401182 509276322 /nfs/dbraw/zinc/27/63/22/509276322.db2.gz VHEWKPYRJWMZKJ-UHFFFAOYSA-N 0 0 369.786 2.872 40 5 FFBBRN CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225001884 509362340 /nfs/dbraw/zinc/36/23/40/509362340.db2.gz JEIMFSYFGDCENR-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN COc1ccccc1N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005393966 537062857 /nfs/dbraw/zinc/06/28/57/537062857.db2.gz KNLUBAJZFJHLOU-DHZHZOJOSA-N 0 0 367.405 2.965 40 5 FFBBRN COC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1C ZINC000223801095 222794533 /nfs/dbraw/zinc/79/45/33/222794533.db2.gz XJXSKJVIDDXLKQ-UHFFFAOYSA-N 0 0 364.379 2.799 40 5 FFBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C)n1 ZINC000225872546 222877003 /nfs/dbraw/zinc/87/70/03/222877003.db2.gz YXMOCTWPCCHXGF-UHFFFAOYSA-N 0 0 371.393 2.994 40 5 FFBBRN CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000225968054 222881280 /nfs/dbraw/zinc/88/12/80/222881280.db2.gz WHKILVBFQWZLRY-UHFFFAOYSA-N 0 0 363.395 2.633 40 5 FFBBRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] ZINC000004155584 219550712 /nfs/dbraw/zinc/55/07/12/219550712.db2.gz TWECQWJBPJTYNL-OZVVPTBGSA-N 0 0 363.167 2.669 40 5 FFBBRN Cc1c(Nc2cc(-c3ccccn3)nc(NC3CC3)n2)cccc1[N+](=O)[O-] ZINC000328956973 223124640 /nfs/dbraw/zinc/12/46/40/223124640.db2.gz AHSJHYVWKGRJJU-UHFFFAOYSA-N 0 0 362.393 2.917 40 5 FFBBRN CCCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(CC)n1N ZINC000070462431 221333029 /nfs/dbraw/zinc/33/30/29/221333029.db2.gz ANLRNLYMEVZKII-UHFFFAOYSA-N 0 0 365.415 2.571 40 5 FFBBRN O=C(N1CCN(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991539 132287758 /nfs/dbraw/zinc/28/77/58/132287758.db2.gz BAYSWVWNDDWJCO-UHFFFAOYSA-N 0 0 351.406 2.975 40 5 FFBBRN COc1ccc(-c2nnc(COc3ccc([N+](=O)[O-])cc3)[nH]2)cc1OC ZINC000064873720 506237432 /nfs/dbraw/zinc/23/74/32/506237432.db2.gz JJXYUTVRPYQKJW-UHFFFAOYSA-N 0 0 356.338 2.976 40 5 FFBBRN C/N=c1\ss/c(=N\C(=O)c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000003844412 506349758 /nfs/dbraw/zinc/34/97/58/506349758.db2.gz KQGBRWJMOTWHGN-IQRFGFHNSA-N 0 0 372.431 2.780 40 5 FFBBRN CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1cc([N+](=O)[O-])c(NC(C)=O)cc1C2 ZINC000004430066 506375880 /nfs/dbraw/zinc/37/58/80/506375880.db2.gz NJRKPHDEBKIZAT-UHFFFAOYSA-N 0 0 370.321 2.991 40 5 FFBBRN CC(=O)Nc1cc([N+](=O)[O-])ccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000004745132 506391273 /nfs/dbraw/zinc/39/12/73/506391273.db2.gz AYCLVNFAODDUNV-UHFFFAOYSA-N 0 0 363.395 2.687 40 5 FFBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)C[C@H]2c2ccccc21 ZINC000004855635 506400573 /nfs/dbraw/zinc/40/05/73/506400573.db2.gz UGQUNBCGFMJVEJ-DZJNRPSUSA-N 0 0 362.341 2.554 40 5 FFBBRN CCC(=O)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006309166 506476030 /nfs/dbraw/zinc/47/60/30/506476030.db2.gz FZKTZHSVFNZIRB-IBGZPJMESA-N 0 0 370.361 2.588 40 5 FFBBRN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000006610118 506490631 /nfs/dbraw/zinc/49/06/31/506490631.db2.gz JXZYSMMJNSFYPJ-UHFFFAOYSA-N 0 0 356.363 2.562 40 5 FFBBRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000014400833 506989968 /nfs/dbraw/zinc/98/99/68/506989968.db2.gz SDYPUBZNOLWSAA-UHFFFAOYSA-N 0 0 363.395 2.633 40 5 FFBBRN COc1cc(OCC(=O)NCCSCc2ccco2)ccc1[N+](=O)[O-] ZINC000219821741 509291734 /nfs/dbraw/zinc/29/17/34/509291734.db2.gz KOIALFWTJWDTCS-UHFFFAOYSA-N 0 0 366.395 2.625 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225087274 509364411 /nfs/dbraw/zinc/36/44/11/509364411.db2.gz QNKZHAKVYLVJGB-UHFFFAOYSA-N 0 0 365.367 2.945 40 5 FFBBRN COc1ccc([C@H]([C@H](C(C)=O)C(=O)OC(C)(C)C)[C@H](C)[N+](=O)[O-])cc1 ZINC000253383138 509875162 /nfs/dbraw/zinc/87/51/62/509875162.db2.gz KKZPVPMHEUEJLE-XZJROXQQSA-N 0 0 351.399 2.991 40 5 FFBBRN O=[N+]([O-])c1ccccc1SN(CCO)C[C@@H]1COC2(CCCCC2)O1 ZINC000255189072 509920205 /nfs/dbraw/zinc/92/02/05/509920205.db2.gz NNAHPVFQXSVUDK-CQSZACIVSA-N 0 0 368.455 2.972 40 5 FFBBRN CCc1ccc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc1 ZINC000408564984 513087038 /nfs/dbraw/zinc/08/70/38/513087038.db2.gz GWDUSSMYWCRBMK-QSFXBCCZSA-N 0 0 351.406 2.771 40 5 FFBBRN Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)cc1[N+](=O)[O-] ZINC000408641434 513090160 /nfs/dbraw/zinc/09/01/60/513090160.db2.gz LJZANKKMXGVGHD-HNNXBMFYSA-N 0 0 353.378 2.573 40 5 FFBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409070747 513098155 /nfs/dbraw/zinc/09/81/55/513098155.db2.gz ZECULSKECOIAPR-QAOCXXKRSA-N 0 0 362.363 2.749 40 5 FFBBRN Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000869939 219334244 /nfs/dbraw/zinc/33/42/44/219334244.db2.gz AAUSXLVHAMHNHN-UHFFFAOYSA-N 0 0 352.354 2.504 40 5 FFBBRN CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccc([N+](=O)[O-])cc2)C1 ZINC000005296639 219669857 /nfs/dbraw/zinc/66/98/57/219669857.db2.gz UWGRBTBBPBRZJV-QGZVFWFLSA-N 0 0 370.321 2.570 40 5 FFBBRN COc1ccc(CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000013668973 220081893 /nfs/dbraw/zinc/08/18/93/220081893.db2.gz RSECUHSRDUYISH-UHFFFAOYSA-N 0 0 350.396 2.515 40 5 FFBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSCc1ccccc1F ZINC000013670571 220082637 /nfs/dbraw/zinc/08/26/37/220082637.db2.gz DRYSBYCXDHZWGW-UHFFFAOYSA-N 0 0 370.427 2.946 40 5 FFBBRN Cc1cc(C)cc(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000022496271 220388821 /nfs/dbraw/zinc/38/88/21/220388821.db2.gz ONLICKAUOLIKRP-UHFFFAOYSA-N 0 0 364.423 2.877 40 5 FFBBRN Cc1cccc(N2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1C ZINC000057364179 136128962 /nfs/dbraw/zinc/12/89/62/136128962.db2.gz DHBQTCKLMNDSPK-UHFFFAOYSA-N 0 0 368.437 2.972 40 5 FFBBRN CC(C)c1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000105740929 222375265 /nfs/dbraw/zinc/37/52/65/222375265.db2.gz ASSAIQCXARDORQ-SVGWRPMHSA-N 0 0 374.462 2.693 40 5 FFBBRN Cc1cc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000408562950 263472249 /nfs/dbraw/zinc/47/22/49/263472249.db2.gz HCPCSTWXKSYWGU-UHFFFAOYSA-N 0 0 363.395 2.551 40 5 FFBBRN O=C(OCCOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000001702775 506268434 /nfs/dbraw/zinc/26/84/34/506268434.db2.gz UOQBSJPSIXUZDD-UHFFFAOYSA-N 0 0 360.278 2.517 40 5 FFBBRN CCOc1ccc(C(=O)NC(=S)NNc2ccccc2)cc1[N+](=O)[O-] ZINC000009140648 506683348 /nfs/dbraw/zinc/68/33/48/506683348.db2.gz ZIBVKMPZKAAELZ-UHFFFAOYSA-N 0 0 360.395 2.625 40 5 FFBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017076192 507114994 /nfs/dbraw/zinc/11/49/94/507114994.db2.gz UJOLKAGZNWCAOR-UHFFFAOYSA-N 0 0 372.337 2.592 40 5 FFBBRN COc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000138821055 508779517 /nfs/dbraw/zinc/77/95/17/508779517.db2.gz ACQONOVWRBWMHI-OGRXGRENSA-N 0 0 354.362 2.861 40 5 FFBBRN COC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000223794649 509347689 /nfs/dbraw/zinc/34/76/89/509347689.db2.gz ZPLZQRZJLATDMA-UHFFFAOYSA-N 0 0 370.770 2.836 40 5 FFBBRN CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224809433 509361558 /nfs/dbraw/zinc/36/15/58/509361558.db2.gz FDKCGQQEJDFRMW-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225001382 509363451 /nfs/dbraw/zinc/36/34/51/509363451.db2.gz PRSVBWURJFFIRZ-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN Cc1c(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000225034812 509364170 /nfs/dbraw/zinc/36/41/70/509364170.db2.gz OCVJLEWJIWUARF-UHFFFAOYSA-N 0 0 351.340 2.637 40 5 FFBBRN COC(=O)c1ccccc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225075550 509364480 /nfs/dbraw/zinc/36/44/80/509364480.db2.gz ZDLONBNYRMHQLE-UHFFFAOYSA-N 0 0 364.379 2.515 40 5 FFBBRN CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2cccc([N+](=O)[O-])c2)c1=O ZINC000225969613 509394961 /nfs/dbraw/zinc/39/49/61/509394961.db2.gz RPQIAKHPVQHVLT-UHFFFAOYSA-N 0 0 373.365 2.546 40 5 FFBBRN Cc1noc(/C=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1[N+](=O)[O-] ZINC000408543279 513086321 /nfs/dbraw/zinc/08/63/21/513086321.db2.gz OQRUZUSYOIETCR-GORDUTHDSA-N 0 0 360.326 2.806 40 5 FFBBRN CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000408629208 513090044 /nfs/dbraw/zinc/09/00/44/513090044.db2.gz PYRLVECHNACTEN-UHFFFAOYSA-N 0 0 368.393 2.516 40 5 FFBBRN N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)S1 ZINC000408761526 513093854 /nfs/dbraw/zinc/09/38/54/513093854.db2.gz GKPYPIZKGXUSJH-ZROIWOOFSA-N 0 0 369.358 2.953 40 5 FFBBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1/N=C(C)OC1=O ZINC000409002584 513097678 /nfs/dbraw/zinc/09/76/78/513097678.db2.gz VGVDLJZYERHREO-QPEQYQDCSA-N 0 0 371.309 2.622 40 5 FFBBRN CCOC(=O)[C@@H](CC)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000000862161 219333041 /nfs/dbraw/zinc/33/30/41/219333041.db2.gz NLHAEYOBXGWLIX-GFCCVEGCSA-N 0 0 350.400 2.824 40 5 FFBBRN COc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)c(OC)c1 ZINC000001091033 219368683 /nfs/dbraw/zinc/36/86/83/219368683.db2.gz WIFNLBHEKDZGCJ-DHDCSXOGSA-N 0 0 354.318 2.957 40 5 FFBBRN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000224900129 222822360 /nfs/dbraw/zinc/82/23/60/222822360.db2.gz LVIJMPMLXXVSAE-UHFFFAOYSA-N 0 0 363.395 2.687 40 5 FFBBRN CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225023461 222825593 /nfs/dbraw/zinc/82/55/93/222825593.db2.gz BHQWYQZEWPTUPQ-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000225246042 132284352 /nfs/dbraw/zinc/28/43/52/132284352.db2.gz LFOJNSSMURGPRT-UHFFFAOYSA-N 0 0 360.805 2.812 40 5 FFBBRN O=C(NCCO)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408976367 263513028 /nfs/dbraw/zinc/51/30/28/263513028.db2.gz QVSFICKRBQMZKD-UHFFFAOYSA-N 0 0 369.384 2.602 40 5 FFBBRN CSc1nnc(C)n1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000033489478 506357477 /nfs/dbraw/zinc/35/74/77/506357477.db2.gz OWERQUYFULNWMT-UHFFFAOYSA-N 0 0 359.367 2.861 40 5 FFBBRN O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000004135132 506360900 /nfs/dbraw/zinc/36/09/00/506360900.db2.gz LLJMZLIKWGYCGQ-OLZOCXBDSA-N 0 0 370.434 2.573 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C(C)C)o1 ZINC000006201607 506470831 /nfs/dbraw/zinc/47/08/31/506470831.db2.gz OSMQLVLQDFUFCJ-UHFFFAOYSA-N 0 0 352.372 2.841 40 5 FFBBRN O=C1c2ccccc2C(=O)N1CCSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006424099 506482757 /nfs/dbraw/zinc/48/27/57/506482757.db2.gz PJHYYVVBJCPJEN-UHFFFAOYSA-N 0 0 368.374 2.859 40 5 FFBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000007881799 506598541 /nfs/dbraw/zinc/59/85/41/506598541.db2.gz BIWMCYUDWGFEAJ-OAHLLOKOSA-N 0 0 353.378 2.890 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccccc2C)CC1=O ZINC000007928442 506603849 /nfs/dbraw/zinc/60/38/49/506603849.db2.gz RQMZYTYXXANWCX-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000009140595 506682781 /nfs/dbraw/zinc/68/27/81/506682781.db2.gz VAPMGBGSKIQUBK-UHFFFAOYSA-N 0 0 350.787 2.880 40 5 FFBBRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000044945862 506902115 /nfs/dbraw/zinc/90/21/15/506902115.db2.gz UTBDQJJMTULPBZ-UHFFFAOYSA-N 0 0 369.786 2.872 40 5 FFBBRN O=C(NC(=S)NC1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000021596447 507260458 /nfs/dbraw/zinc/26/04/58/507260458.db2.gz MLJSYRKNDWIXJS-UHFFFAOYSA-N 0 0 362.455 2.742 40 5 FFBBRN CCOc1cc([C@H](N)c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1OC ZINC000095534370 508197614 /nfs/dbraw/zinc/19/76/14/508197614.db2.gz XDALXNYUFXTPKN-INIZCTEOSA-N 0 0 369.381 2.835 40 5 FFBBRN CCOC(=O)N1CCN(C(=O)c2ccc3nc4ccccc4nc3c2)CC1 ZINC000096573904 508214849 /nfs/dbraw/zinc/21/48/49/508214849.db2.gz LYMBVEBNZILVKG-UHFFFAOYSA-N 0 0 364.405 2.697 40 5 FFBBRN Cc1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000096590531 508215225 /nfs/dbraw/zinc/21/52/25/508215225.db2.gz YCBLAKUEYTZSTB-HNNXBMFYSA-N 0 0 353.378 2.890 40 5 FFBBRN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000223836510 509349980 /nfs/dbraw/zinc/34/99/80/509349980.db2.gz YUYNNTGXKATAES-UHFFFAOYSA-N 0 0 364.379 2.799 40 5 FFBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2ccccc2Cl)c1 ZINC000223984903 509353571 /nfs/dbraw/zinc/35/35/71/509353571.db2.gz OQXNDKDNQMOLHR-UHFFFAOYSA-N 0 0 356.787 2.606 40 5 FFBBRN COC(=O)c1cccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000225008855 509363487 /nfs/dbraw/zinc/36/34/87/509363487.db2.gz RVVSXVCFFCXCBD-UHFFFAOYSA-N 0 0 364.379 2.515 40 5 FFBBRN Cc1ccc(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2N(C)C)cc1[N+](=O)[O-] ZINC000408532911 513084931 /nfs/dbraw/zinc/08/49/31/513084931.db2.gz RMFMGDLNBMNPQF-UHFFFAOYSA-N 0 0 355.354 2.803 40 5 FFBBRN O=C1c2ccccc2C(=O)N1c1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000408718293 513092571 /nfs/dbraw/zinc/09/25/71/513092571.db2.gz QVFVXMBSUZDCDI-UHFFFAOYSA-N 0 0 352.331 2.914 40 5 FFBBRN CCOC(=O)CCCn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1 ZINC000020167579 520664401 /nfs/dbraw/zinc/66/44/01/520664401.db2.gz ZZJWUKFRAXIHTJ-UHFFFAOYSA-N 0 0 369.381 2.987 40 5 FFBBRN Cc1ccc(-c2noc(CNC(=O)Cc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000218161872 525879965 /nfs/dbraw/zinc/87/99/65/525879965.db2.gz RYBBMXBNKWLKNA-UHFFFAOYSA-N 0 0 352.350 2.812 40 5 FFBBRN CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000004859558 535467353 /nfs/dbraw/zinc/46/73/53/535467353.db2.gz CZFGYVSIPBBSSB-LBPRGKRZSA-N 0 0 350.375 2.588 40 5 FFBBRN CCNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000328958441 203842253 /nfs/dbraw/zinc/84/22/53/203842253.db2.gz AOGNJGXLXUCSLW-UHFFFAOYSA-N 0 0 354.345 2.605 40 5 FFBBRN COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000005354849 204205207 /nfs/dbraw/zinc/20/52/07/204205207.db2.gz MWJFUQAQJFVIQZ-KPZWWZAWSA-N 0 0 373.409 2.521 40 5 FFBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006238443 204242085 /nfs/dbraw/zinc/24/20/85/204242085.db2.gz XWPHZLUCJVSNDF-UHFFFAOYSA-N 0 0 358.379 2.680 40 5 FFBBRN Cn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccn1 ZINC000016755642 204641777 /nfs/dbraw/zinc/64/17/77/204641777.db2.gz VFNRIRHIEDKYKP-UHFFFAOYSA-N 0 0 355.379 2.760 40 5 FFBBRN CCOC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066013603 205362818 /nfs/dbraw/zinc/36/28/18/205362818.db2.gz FQNUASVCFSSTFX-UHFFFAOYSA-N 0 0 374.349 2.798 40 5 FFBBRN CCOc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066027053 205362884 /nfs/dbraw/zinc/36/28/84/205362884.db2.gz OXFNZYHPJPAVBE-UHFFFAOYSA-N 0 0 360.366 2.697 40 5 FFBBRN COc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000109109578 206046701 /nfs/dbraw/zinc/04/67/01/206046701.db2.gz SDSJJYNSXJQUNE-UHFFFAOYSA-N 0 0 366.395 2.746 40 5 FFBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)[C@@H]2c2ccccc21 ZINC000217541449 206364481 /nfs/dbraw/zinc/36/44/81/206364481.db2.gz UGQUNBCGFMJVEJ-LEUOFYLZSA-N 0 0 362.341 2.554 40 5 FFBBRN COc1cc(I)c(Br)c([N+](=O)[O-])c1 ZINC000226320960 206510181 /nfs/dbraw/zinc/51/01/81/206510181.db2.gz AGCMIMJAKCXLAF-UHFFFAOYSA-N 0 0 357.929 2.971 40 5 FFBBRN Cc1ccc(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000004624062 132304269 /nfs/dbraw/zinc/30/42/69/132304269.db2.gz QXFLUFGUTHTNPE-UHFFFAOYSA-N 0 0 371.349 2.879 40 5 FFBBRN CS(=O)(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000010315050 263365239 /nfs/dbraw/zinc/36/52/39/263365239.db2.gz NNGRDBCZEDGKIZ-UHFFFAOYSA-N 0 0 369.786 2.872 40 5 FFBBRN CCCCOC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000059369962 263418196 /nfs/dbraw/zinc/41/81/96/263418196.db2.gz MGGNUNGNJOHIOL-HNNXBMFYSA-N 0 0 371.865 2.548 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 ZINC000007882454 506599485 /nfs/dbraw/zinc/59/94/85/506599485.db2.gz HBIIDHLTPACOMJ-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000007939742 506603732 /nfs/dbraw/zinc/60/37/32/506603732.db2.gz XGCNRLOMGHQRRZ-UHFFFAOYSA-N 0 0 371.349 2.657 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccccc2)CC1=O ZINC000007928440 506604273 /nfs/dbraw/zinc/60/42/73/506604273.db2.gz FWIWICXPUKZXBC-LBPRGKRZSA-N 0 0 355.350 2.595 40 5 FFBBRN O=C(CSc1nc(=O)c2ccsc2[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008456554 506651468 /nfs/dbraw/zinc/65/14/68/506651468.db2.gz LMJBVWXBKCDCTP-UHFFFAOYSA-N 0 0 362.392 2.624 40 5 FFBBRN COC(=O)c1cccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000044947482 506901959 /nfs/dbraw/zinc/90/19/59/506901959.db2.gz GNMSDMWRCMZAMY-UHFFFAOYSA-N 0 0 364.379 2.632 40 5 FFBBRN O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)CC2)cc1 ZINC000111427679 508097980 /nfs/dbraw/zinc/09/79/80/508097980.db2.gz BKJBWSDQHDCRCE-UHFFFAOYSA-N 0 0 373.325 2.738 40 5 FFBBRN CCOc1cc([C@@H](N)c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1OC ZINC000095534371 508197701 /nfs/dbraw/zinc/19/77/01/508197701.db2.gz XDALXNYUFXTPKN-MRXNPFEDSA-N 0 0 369.381 2.835 40 5 FFBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000103933903 508324291 /nfs/dbraw/zinc/32/42/91/508324291.db2.gz ZAHDDZWIYAQPLD-UHFFFAOYSA-N 0 0 362.254 2.672 40 5 FFBBRN O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000223645667 509344020 /nfs/dbraw/zinc/34/40/20/509344020.db2.gz JRKCIGFWCXMDRB-UHFFFAOYSA-N 0 0 370.770 2.820 40 5 FFBBRN CCc1ccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223985803 509353316 /nfs/dbraw/zinc/35/33/16/509353316.db2.gz DCGURUHVIXTEQV-UHFFFAOYSA-N 0 0 350.396 2.515 40 5 FFBBRN CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(F)cc1 ZINC000224917693 509362131 /nfs/dbraw/zinc/36/21/31/509362131.db2.gz NHDNCTQEXLOIPA-UHFFFAOYSA-N 0 0 354.359 2.958 40 5 FFBBRN CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225015595 509363009 /nfs/dbraw/zinc/36/30/09/509363009.db2.gz DJSZILCABLIJEM-UHFFFAOYSA-N 0 0 371.758 2.982 40 5 FFBBRN COc1ccc([C@@]2(C)NC(=S)N(c3ccc([N+](=O)[O-])cc3)N2)c(OC)c1 ZINC000225341261 509369770 /nfs/dbraw/zinc/36/97/70/509369770.db2.gz MWQDSYACGLBPDE-KRWDZBQOSA-N 0 0 374.422 2.684 40 5 FFBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000205735991 571232225 /nfs/dbraw/zinc/23/22/25/571232225.db2.gz QIXRQGOKUNEORN-KPKJPENVSA-N 0 0 350.352 2.583 40 5 FFBBRN COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000005357738 204204993 /nfs/dbraw/zinc/20/49/93/204204993.db2.gz MWJFUQAQJFVIQZ-KZULUSFZSA-N 0 0 373.409 2.521 40 5 FFBBRN CC1=NN(C(=O)c2ccc(N(C)C)cc2)[C@](O)(c2ccc([N+](=O)[O-])cc2)C1 ZINC000005250085 204200252 /nfs/dbraw/zinc/20/02/52/204200252.db2.gz YESAFJQSPJMDPZ-LJQANCHMSA-N 0 0 368.393 2.728 40 5 FFBBRN COc1ccc(-c2noc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000007759224 204305388 /nfs/dbraw/zinc/30/53/88/204305388.db2.gz FIQQNPRUFMIXIL-UHFFFAOYSA-N 0 0 368.349 2.892 40 5 FFBBRN COc1cc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000008361486 204329227 /nfs/dbraw/zinc/32/92/27/204329227.db2.gz MCDTXCNGOAVMLN-BQYQJAHWSA-N 0 0 372.377 2.950 40 5 FFBBRN Cc1ccc(C)c(-n2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)c1 ZINC000040398739 205069168 /nfs/dbraw/zinc/06/91/68/205069168.db2.gz SPMYITSMUFTLFC-UHFFFAOYSA-N 0 0 360.417 2.515 40 5 FFBBRN COC(=O)c1ccc(C)c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000066014920 205363155 /nfs/dbraw/zinc/36/31/55/205363155.db2.gz MUEMOZWCEQVIKW-UHFFFAOYSA-N 0 0 374.349 2.716 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100455780 206223914 /nfs/dbraw/zinc/22/39/14/206223914.db2.gz OGDUHKCNOCZDEA-UHFFFAOYSA-N 0 0 362.254 2.672 40 5 FFBBRN Cc1ccc(-c2nnc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000008306491 206214912 /nfs/dbraw/zinc/21/49/12/206214912.db2.gz GVMRZKIUTZOGRS-XNTDXEJSSA-N 0 0 364.386 2.582 40 5 FFBBRN COc1ccc([C@@H]([C@H](C)[N+](=O)[O-])[C@@H](C(C)=O)C(=O)OC(C)(C)C)cc1 ZINC000005275268 206239084 /nfs/dbraw/zinc/23/90/84/206239084.db2.gz KKZPVPMHEUEJLE-IUIKQTSFSA-N 0 0 351.399 2.991 40 5 FFBBRN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015674095 206315887 /nfs/dbraw/zinc/31/58/87/206315887.db2.gz IRVAAZQLUIAABU-SJORKVTESA-N 0 0 366.377 2.953 40 5 biogenic,in-vitro FFBBRN COc1cccc(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000010543456 263366426 /nfs/dbraw/zinc/36/64/26/263366426.db2.gz IXOUNISJZVCPIR-UHFFFAOYSA-N 0 0 350.396 2.515 40 5 FFBBRN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000408601287 263478959 /nfs/dbraw/zinc/47/89/59/263478959.db2.gz ASOAVOWLCJRXSF-UHFFFAOYSA-N 0 0 363.395 2.971 40 5 FFBBRN COc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000007929527 506604617 /nfs/dbraw/zinc/60/46/17/506604617.db2.gz UHAQCJWGCGMHEW-CYBMUJFWSA-N 0 0 370.361 2.870 40 5 FFBBRN COc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1[N+](=O)[O-] ZINC000022259281 507287375 /nfs/dbraw/zinc/28/73/75/507287375.db2.gz UTTFFPKBWRFQHK-UHFFFAOYSA-N 0 0 361.310 2.838 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224755711 509360580 /nfs/dbraw/zinc/36/05/80/509360580.db2.gz GNZCVBIZZJIRBU-UHFFFAOYSA-N 0 0 351.340 2.637 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000408643035 513090208 /nfs/dbraw/zinc/09/02/08/513090208.db2.gz OLVOXHMGELIYRC-LLVKDONJSA-N 0 0 373.340 2.734 40 5 FFBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409070749 513098223 /nfs/dbraw/zinc/09/82/23/513098223.db2.gz ZECULSKECOIAPR-XIEBBKQZSA-N 0 0 362.363 2.749 40 5 FFBBRN Cc1cnc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000409200169 513100181 /nfs/dbraw/zinc/10/01/81/513100181.db2.gz QSTZGOCRQBCABX-UHFFFAOYSA-N 0 0 355.759 2.809 40 5 FFBBRN CN(Cc1nc(-c2cccs2)no1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000218163466 523548805 /nfs/dbraw/zinc/54/88/05/523548805.db2.gz SFQJNILWGHOKPS-UHFFFAOYSA-N 0 0 358.379 2.907 40 5 FFBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000205735974 571232165 /nfs/dbraw/zinc/23/21/65/571232165.db2.gz ZIALNKQXJRROJY-KPKJPENVSA-N 0 0 350.352 2.583 40 5 FFBBRN CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225111124 571294126 /nfs/dbraw/zinc/29/41/26/571294126.db2.gz QLQAGJDPWSWVBX-UHFFFAOYSA-N 0 0 354.359 2.958 40 5 FFBBRN Cc1cc(I)cnc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000006572489 204254207 /nfs/dbraw/zinc/25/42/07/204254207.db2.gz VEESCGFXTQAHFO-UHFFFAOYSA-N 0 0 373.106 2.748 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000008059994 204316333 /nfs/dbraw/zinc/31/63/33/204316333.db2.gz MWUXWBORHZENRN-UHFFFAOYSA-N 0 0 364.423 2.877 40 5 FFBBRN O=C(O/C(=C\n1ccccc1=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000036033903 205001647 /nfs/dbraw/zinc/00/16/47/205001647.db2.gz PWBMUXQWSYXTAW-JXAWBTAJSA-N 0 0 369.377 2.855 40 5 FFBBRN CC(C)Oc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000038754397 205041523 /nfs/dbraw/zinc/04/15/23/205041523.db2.gz NEZQOBOLHIHUIG-UHFFFAOYSA-N 0 0 350.396 2.861 40 5 FFBBRN CN(C)n1ccc2nc3ccn(-c4ccc(Cl)cc4)c(=O)c3cc2c1=O ZINC000040398691 205068882 /nfs/dbraw/zinc/06/88/82/205068882.db2.gz WCVMJGULJRWGAL-UHFFFAOYSA-N 0 0 366.808 2.552 40 5 FFBBRN C[C@@H]1[C@@H](C)CCC[C@@H]1n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O ZINC000040398663 205069223 /nfs/dbraw/zinc/06/92/23/205069223.db2.gz HXJZZMAXHPAFJU-KSMMKXTCSA-N 0 0 366.465 2.906 40 5 FFBBRN CCOc1ccccc1CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055268840 205213086 /nfs/dbraw/zinc/21/30/86/205213086.db2.gz ORDORYRLPZOIHT-UHFFFAOYSA-N 0 0 350.396 2.814 40 5 FFBBRN Cc1nc(-c2ccc([N+](=O)[O-])cc2)nn1CC(=O)Nc1ccc(F)cc1 ZINC000000869086 206138915 /nfs/dbraw/zinc/13/89/15/206138915.db2.gz GZRDORNMOLEQRF-UHFFFAOYSA-N 0 0 355.329 2.940 40 5 FFBBRN CCOC(=O)c1sc2ncn(Cc3ccc([N+](=O)[O-])cc3)c(=O)c2c1C ZINC000005414362 206239533 /nfs/dbraw/zinc/23/95/33/206239533.db2.gz OQLYTIPFKYKBSE-UHFFFAOYSA-N 0 0 373.390 2.900 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000223985346 206451798 /nfs/dbraw/zinc/45/17/98/206451798.db2.gz JXIFCOIMCMYXRX-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN CSc1nnc(C)n1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033663753 506361893 /nfs/dbraw/zinc/36/18/93/506361893.db2.gz PWSVDUDBHOVGQJ-UHFFFAOYSA-N 0 0 359.367 2.861 40 5 FFBBRN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000035183151 506375884 /nfs/dbraw/zinc/37/58/84/506375884.db2.gz WTZMWVYGTPUZFA-SJORKVTESA-N 0 0 351.362 2.853 40 5 FFBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000008330927 506643732 /nfs/dbraw/zinc/64/37/32/506643732.db2.gz WUIXUDABRRINFZ-UHFFFAOYSA-N 0 0 357.318 2.868 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000017333978 507122707 /nfs/dbraw/zinc/12/27/07/507122707.db2.gz HSCGNSMHLHIHOI-UHFFFAOYSA-N 0 0 364.423 2.877 40 5 FFBBRN Nn1c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1-c1ccccc1 ZINC000020530518 507223851 /nfs/dbraw/zinc/22/38/51/507223851.db2.gz QPJRCPXVOBSABP-UHFFFAOYSA-N 0 0 367.394 2.736 40 5 FFBBRN Cn1c(=O)nc2n(-c3ccc(N4CCCC4)cc3)c3ccccc3cc-2c1=O ZINC000059497807 507502770 /nfs/dbraw/zinc/50/27/70/507502770.db2.gz KGNAMBUJIWWIBE-UHFFFAOYSA-N 0 0 372.428 2.789 40 5 FFBBRN CCOc1ccc([C@H](N)c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OC ZINC000095534226 508197727 /nfs/dbraw/zinc/19/77/27/508197727.db2.gz VKUBQLZVPPNNSE-INIZCTEOSA-N 0 0 369.381 2.835 40 5 FFBBRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100474738 508239572 /nfs/dbraw/zinc/23/95/72/508239572.db2.gz KFCSIQAHBXUNKH-UHFFFAOYSA-N 0 0 362.210 2.550 40 5 FFBBRN CC(C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329066270 511976588 /nfs/dbraw/zinc/97/65/88/511976588.db2.gz XYKUPPMWNISXKQ-UHFFFAOYSA-N 0 0 368.372 2.994 40 5 FFBBRN O=[N+]([O-])c1ccc(O[C@@H]2C[C@H](O)[C@@H]3O[C@H](c4ccccc4)OC[C@H]3O2)cc1 ZINC000584578737 518407267 /nfs/dbraw/zinc/40/72/67/518407267.db2.gz PDDCYVLEUQIGRC-XCDZQEORSA-N 0 0 373.361 2.564 40 5 FFBBRN O=[N+]([O-])c1ccc(O[C@@H]2C[C@H](O)[C@@H]3O[C@H](c4ccccc4)OC[C@@H]3O2)cc1 ZINC000584578736 518407340 /nfs/dbraw/zinc/40/73/40/518407340.db2.gz PDDCYVLEUQIGRC-VPAKFMSCSA-N 0 0 373.361 2.564 40 5 FFBBRN O=C(OCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001609802 204013673 /nfs/dbraw/zinc/01/36/73/204013673.db2.gz PLCJVXNGSALRQG-UHFFFAOYSA-N 0 0 360.278 2.517 40 5 FFBBRN Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccc(Cl)cc2)n1C ZINC000001622268 204015003 /nfs/dbraw/zinc/01/50/03/204015003.db2.gz XGUFJFGSOXKBJA-UHFFFAOYSA-N 0 0 350.791 2.928 40 5 FFBBRN COc1ccc(CCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013669036 204542841 /nfs/dbraw/zinc/54/28/41/204542841.db2.gz QBIPRANAANSBKF-UHFFFAOYSA-N 0 0 364.423 2.823 40 5 FFBBRN CCOC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000066017714 205363015 /nfs/dbraw/zinc/36/30/15/205363015.db2.gz SAXGBKJICUNFKF-UHFFFAOYSA-N 0 0 374.349 2.798 40 5 FFBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nncn1-c1ccccn1 ZINC000004126994 206168392 /nfs/dbraw/zinc/16/83/92/206168392.db2.gz XTPWKGMWMHNAEA-UHFFFAOYSA-N 0 0 370.394 2.610 40 5 FFBBRN COc1c(C)cccc1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000014257562 206309304 /nfs/dbraw/zinc/30/93/04/206309304.db2.gz DXRTWPAEXSANGC-UHFFFAOYSA-N 0 0 360.395 2.543 40 5 FFBBRN Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000224003675 206453022 /nfs/dbraw/zinc/45/30/22/206453022.db2.gz HYLPEKQISLKPTH-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017076193 132884169 /nfs/dbraw/zinc/88/41/69/132884169.db2.gz NESGKZBWJMYJRZ-UHFFFAOYSA-N 0 0 372.337 2.592 40 5 FFBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000008560819 263356196 /nfs/dbraw/zinc/35/61/96/263356196.db2.gz NFRZWYZRPRDNHZ-UHFFFAOYSA-N 0 0 361.310 2.838 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 ZINC000010315014 263365353 /nfs/dbraw/zinc/36/53/53/263365353.db2.gz MFGHCIKXEZXRNG-UHFFFAOYSA-N 0 0 363.395 2.835 40 5 FFBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000032517620 263393459 /nfs/dbraw/zinc/39/34/59/263393459.db2.gz HNEDKLLAAZTCSS-SNVBAGLBSA-N 0 0 361.304 2.865 40 5 FFBBRN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003383885 506326241 /nfs/dbraw/zinc/32/62/41/506326241.db2.gz TVVQBCBTNSEFNA-UHFFFAOYSA-N 0 0 372.333 2.567 40 5 FFBBRN Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000003383978 506326469 /nfs/dbraw/zinc/32/64/69/506326469.db2.gz LEGWAEZEXPESTL-UHFFFAOYSA-N 0 0 359.294 2.607 40 5 FFBBRN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000035183153 506376935 /nfs/dbraw/zinc/37/69/35/506376935.db2.gz WTZMWVYGTPUZFA-IAGOWNOFSA-N 0 0 351.362 2.853 40 5 FFBBRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000039918377 506454292 /nfs/dbraw/zinc/45/42/92/506454292.db2.gz UIVBDFXUTUMKES-ZDUSSCGKSA-N 0 0 369.377 2.985 40 5 FFBBRN O=C(CSc1nnc(-c2cccnc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000006100439 506467822 /nfs/dbraw/zinc/46/78/22/506467822.db2.gz WKCVVPLREZFDMR-UHFFFAOYSA-N 0 0 357.351 2.771 40 5 FFBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1 ZINC000007689447 506581969 /nfs/dbraw/zinc/58/19/69/506581969.db2.gz JEDMXMOBNALBBI-UHFFFAOYSA-N 0 0 352.437 2.807 40 5 FFBBRN COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000007928514 506604234 /nfs/dbraw/zinc/60/42/34/506604234.db2.gz NVWKEZNQZSXRCQ-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197365 507025517 /nfs/dbraw/zinc/02/55/17/507025517.db2.gz DNSNYHBODVPJIX-VKUYVZBCSA-N 0 0 374.418 2.889 40 5 FFBBRN Cc1cccc(NC(=O)[C@@H](c2cccc([N+](=O)[O-])c2)N2CCOCC2)c1 ZINC000019537563 507176153 /nfs/dbraw/zinc/17/61/53/507176153.db2.gz RIXRDCUSAKSSRT-GOSISDBHSA-N 0 0 355.394 2.915 40 5 FFBBRN O=c1c2cnc(N3CCCCC3)nc2ccn1-c1ccccc1[N+](=O)[O-] ZINC000019958873 507208380 /nfs/dbraw/zinc/20/83/80/507208380.db2.gz WSPXJXKSOJEZSK-UHFFFAOYSA-N 0 0 351.366 2.679 40 5 FFBBRN CN1C[C@H](c2ccc(Cl)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000137906078 508767421 /nfs/dbraw/zinc/76/74/21/508767421.db2.gz SXXTXEUWOOOPFR-QBIMZIAESA-N 0 0 357.797 2.862 40 5 FFBBRN CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225002479 509363475 /nfs/dbraw/zinc/36/34/75/509363475.db2.gz LNRAUORVZUFXOO-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN CCSc1nnc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000225297253 509369709 /nfs/dbraw/zinc/36/97/09/509369709.db2.gz VBTGZVQMLNMGRP-UHFFFAOYSA-N 0 0 370.412 2.584 40 5 FFBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000409010873 513097725 /nfs/dbraw/zinc/09/77/25/513097725.db2.gz FXSWQJWEXKWLSD-SEEODLKFSA-N 0 0 364.379 2.891 40 5 FFBBRN COc1cc2nc3ccc(NC(=S)NN(C)C)cc3nc2cc1OC ZINC000409002859 513097844 /nfs/dbraw/zinc/09/78/44/513097844.db2.gz WXPFFPNGNDEHCC-UHFFFAOYSA-N 0 0 357.439 2.563 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O ZINC000409086762 513098206 /nfs/dbraw/zinc/09/82/06/513098206.db2.gz GXXQKLBBJIDKHG-OQLLNIDSSA-N 0 0 371.324 2.835 40 5 FFBBRN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000575423212 518217935 /nfs/dbraw/zinc/21/79/35/518217935.db2.gz ZIIZZIQNCZTPLB-SFHVURJKSA-N 0 0 358.419 2.908 40 5 FFBBRN CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000004524684 204144102 /nfs/dbraw/zinc/14/41/02/204144102.db2.gz ABLJTFWVIMNWBF-GOSISDBHSA-N 0 0 353.378 2.988 40 5 FFBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000006276124 204243259 /nfs/dbraw/zinc/24/32/59/204243259.db2.gz DCUULSVKMDNUJP-UHFFFAOYSA-N 0 0 372.406 2.988 40 5 FFBBRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000038754894 205041678 /nfs/dbraw/zinc/04/16/78/205041678.db2.gz YCYUCBHLNBVMSC-GFCCVEGCSA-N 0 0 350.396 2.951 40 5 FFBBRN COc1cc(OCC(=O)N[C@H](C)COc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000067087191 205367706 /nfs/dbraw/zinc/36/77/06/205367706.db2.gz FUALLZHVYIOHDG-CQSZACIVSA-N 0 0 374.393 2.874 40 5 FFBBRN O=C(NCc1cccs1)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981338 206188039 /nfs/dbraw/zinc/18/80/39/206188039.db2.gz RUPQAEREVYALKJ-OAHLLOKOSA-N 0 0 374.422 2.969 40 5 FFBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000224651805 206463245 /nfs/dbraw/zinc/46/32/45/206463245.db2.gz LHKBHYRJKKFFCR-UHFFFAOYSA-N 0 0 366.395 2.746 40 5 FFBBRN CCN1CCN(c2cc(NC(=O)C(C)C)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000045891903 132375375 /nfs/dbraw/zinc/37/53/75/132375375.db2.gz PWDCABGLBOHFTN-UHFFFAOYSA-N 0 0 354.838 2.985 40 5 FFBBRN O=C(c1ccccc1[N+](=O)[O-])N1NC(C(F)(F)F)=C[C@@]1(O)C(F)(F)F ZINC000001064072 506245113 /nfs/dbraw/zinc/24/51/13/506245113.db2.gz GRMPNWKXOWIFQU-SNVBAGLBSA-N 0 0 371.193 2.610 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000015271416 507026735 /nfs/dbraw/zinc/02/67/35/507026735.db2.gz UJIIUIPJWHKOJO-UHFFFAOYSA-N 0 0 355.350 2.983 40 5 FFBBRN Cc1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1[N+](=O)[O-] ZINC000019959491 507208011 /nfs/dbraw/zinc/20/80/11/507208011.db2.gz KVYUTCKNFQEKHT-UHFFFAOYSA-N 0 0 351.366 2.598 40 5 FFBBRN COc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611714 507229743 /nfs/dbraw/zinc/22/97/43/507229743.db2.gz KWWLBQIKDDTGAZ-UHFFFAOYSA-N 0 0 357.366 2.692 40 5 FFBBRN CN(C)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000070734332 507627812 /nfs/dbraw/zinc/62/78/12/507627812.db2.gz QQASOZGZWJWSBS-UHFFFAOYSA-N 0 0 370.409 2.750 40 5 FFBBRN CCn1c2nnc(COc3cccc([N+](=O)[O-])c3)n2c2ccccc2c1=O ZINC000029271166 507772005 /nfs/dbraw/zinc/77/20/05/507772005.db2.gz LUTFKTFTJJKSOH-UHFFFAOYSA-N 0 0 365.349 2.551 40 5 FFBBRN CN1C[C@H](c2ccc(Cl)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000207338439 509238481 /nfs/dbraw/zinc/23/84/81/509238481.db2.gz SXXTXEUWOOOPFR-RPVQJOFSSA-N 0 0 357.797 2.862 40 5 FFBBRN CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225022847 509363351 /nfs/dbraw/zinc/36/33/51/509363351.db2.gz LHAWEFFQTRAYHQ-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN O=C(Cc1ccc(Cl)cc1)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000408623997 513089897 /nfs/dbraw/zinc/08/98/97/513089897.db2.gz AFKNOILKMLFUBK-UHFFFAOYSA-N 0 0 364.814 2.809 40 5 FFBBRN COc1ccc(NC(=O)CSc2nnc(C(C)C)o2)c([N+](=O)[O-])c1 ZINC000020034519 524516318 /nfs/dbraw/zinc/51/63/18/524516318.db2.gz LJOHKFYMBWAFJN-UHFFFAOYSA-N 0 0 352.372 2.841 40 5 FFBBRN CC=C1C[N@@+](C)([O-])[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@H]2C(=O)OC ZINC000252581864 203908802 /nfs/dbraw/zinc/90/88/02/203908802.db2.gz SCBWVOFEDKLZRF-UMNAEAMKSA-N 0 0 368.433 2.975 40 5 biogenic,in-vitro FFBBRN COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000005357629 204205220 /nfs/dbraw/zinc/20/52/20/204205220.db2.gz MWJFUQAQJFVIQZ-XIKOKIGWSA-N 0 0 373.409 2.521 40 5 FFBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)[C@H]2c2ccccc21 ZINC000004855631 204170934 /nfs/dbraw/zinc/17/09/34/204170934.db2.gz UGQUNBCGFMJVEJ-VDHUWJSZSA-N 0 0 362.341 2.554 40 5 FFBBRN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981345 204181614 /nfs/dbraw/zinc/18/16/14/204181614.db2.gz WCKRLNCEBLCQKW-HNNXBMFYSA-N 0 0 358.354 2.501 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000038771791 205042334 /nfs/dbraw/zinc/04/23/34/205042334.db2.gz AKSLWWFJXPKONL-UHFFFAOYSA-N 0 0 372.406 2.567 40 5 FFBBRN COc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1[N+](=O)[O-] ZINC000066016980 205362766 /nfs/dbraw/zinc/36/27/66/205362766.db2.gz FADQELBNJHCOFM-UHFFFAOYSA-N 0 0 361.310 2.838 40 5 FFBBRN Cc1cc(C)c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)c1 ZINC000003602358 206234023 /nfs/dbraw/zinc/23/40/23/206234023.db2.gz PMFLPKGLRJKSDP-UHFFFAOYSA-N 0 0 367.361 2.755 40 5 FFBBRN CCOc1cccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000223737507 206447240 /nfs/dbraw/zinc/44/72/40/206447240.db2.gz ROIDTKDSFGWRSZ-UHFFFAOYSA-N 0 0 350.396 2.814 40 5 FFBBRN CC(=O)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007929175 506603606 /nfs/dbraw/zinc/60/36/06/506603606.db2.gz VBKZEWQNZRQSAR-CYBMUJFWSA-N 0 0 368.345 2.756 40 5 FFBBRN COCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000008105438 506622445 /nfs/dbraw/zinc/62/24/45/506622445.db2.gz PYNRRUOAHHMJRY-DHZHZOJOSA-N 0 0 369.377 2.623 40 5 FFBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)CCCC1=O ZINC000008475261 506652776 /nfs/dbraw/zinc/65/27/76/506652776.db2.gz LWPMXQSLSMVZJR-UHFFFAOYSA-N 0 0 367.361 2.691 40 5 FFBBRN Cc1cc(=O)n2c3ccccc3nc2n1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013636990 506947804 /nfs/dbraw/zinc/94/78/04/506947804.db2.gz VPDBKHXBNSTTIE-UHFFFAOYSA-N 0 0 362.345 2.749 40 5 FFBBRN COc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000014220406 506980136 /nfs/dbraw/zinc/98/01/36/506980136.db2.gz HGWUOGQFFNLLPZ-NSHDSACASA-N 0 0 366.395 2.652 40 5 FFBBRN COc1cccc(N2C[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000045644008 506997056 /nfs/dbraw/zinc/99/70/56/506997056.db2.gz RUQMZIGAEVXFFS-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN O=C(OCc1ccccc1)c1cc(-c2cnc[nH]c2=O)cc([N+](=O)[O-])c1 ZINC000096312678 508213718 /nfs/dbraw/zinc/21/37/18/508213718.db2.gz AARHXWLYCQHRLC-UHFFFAOYSA-N 0 0 351.318 2.702 40 5 FFBBRN CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225023089 509363035 /nfs/dbraw/zinc/36/30/35/509363035.db2.gz FRMXCLBNTHJIGC-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000193411058 509904033 /nfs/dbraw/zinc/90/40/33/509904033.db2.gz OFJJOLZETJVEMQ-UHFFFAOYSA-N 0 0 352.303 2.768 40 5 FFBBRN O=[N+]([O-])c1ccccc1SN(CCO)C[C@H]1COC2(CCCCC2)O1 ZINC000255189071 509919766 /nfs/dbraw/zinc/91/97/66/509919766.db2.gz NNAHPVFQXSVUDK-AWEZNQCLSA-N 0 0 368.455 2.972 40 5 FFBBRN O=[N+]([O-])c1ccc(Nc2cc(-c3ccccc3)nc(NCCO)n2)cc1 ZINC000329022106 511967608 /nfs/dbraw/zinc/96/76/08/511967608.db2.gz OKGCPFYQHLSZTL-UHFFFAOYSA-N 0 0 351.366 2.622 40 5 FFBBRN CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccc(F)cc2)C1 ZINC000408564372 513086754 /nfs/dbraw/zinc/08/67/54/513086754.db2.gz ZOWGRQFNMGYYAV-GOSISDBHSA-N 0 0 373.340 2.566 40 5 FFBBRN CCOC(=O)C(Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)OCC ZINC000408750148 513092667 /nfs/dbraw/zinc/09/26/67/513092667.db2.gz KWSSRGFMMULJQD-UHFFFAOYSA-N 0 0 370.408 2.791 40 5 FFBBRN COCCNC(=S)Nc1ccc2nc3cc(OC)c(OC)cc3nc2c1 ZINC000409002123 513097862 /nfs/dbraw/zinc/09/78/62/513097862.db2.gz SPRQSQQMMANKAC-UHFFFAOYSA-N 0 0 372.450 2.733 40 5 FFBBRN COc1cccc(OC)c1C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020496151 526219119 /nfs/dbraw/zinc/21/91/19/526219119.db2.gz RBKRWKYXNUCMCQ-UHFFFAOYSA-N 0 0 370.321 2.914 40 5 FFBBRN COc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000225113070 571294096 /nfs/dbraw/zinc/29/40/96/571294096.db2.gz SHDRJQDHQRAAMM-UHFFFAOYSA-N 0 0 354.359 2.876 40 5 FFBBRN Cc1c(Nc2cc(-c3ccncc3)nc(NC3CC3)n2)cccc1[N+](=O)[O-] ZINC000328981783 203845603 /nfs/dbraw/zinc/84/56/03/203845603.db2.gz GWKLVTDQFLLDPM-UHFFFAOYSA-N 0 0 362.393 2.917 40 5 FFBBRN CC(=O)c1nn(-c2cccc([N+](=O)[O-])c2)/c(=N/C(=O)c2ccccc2)s1 ZINC000003848846 204111640 /nfs/dbraw/zinc/11/16/40/204111640.db2.gz HPLWVOLCMNQFSV-ZCXUNETKSA-N 0 0 368.374 2.786 40 5 FFBBRN COC(=O)CSc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003851314 204111694 /nfs/dbraw/zinc/11/16/94/204111694.db2.gz MTTWIFWSBNUUGH-UHFFFAOYSA-N 0 0 351.134 2.531 40 5 FFBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000006266316 204242798 /nfs/dbraw/zinc/24/27/98/204242798.db2.gz ORLZAUMZYISADN-UHFFFAOYSA-N 0 0 359.363 2.759 40 5 FFBBRN C[C@@H]1CCC[C@H](n2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)[C@@H]1C ZINC000040398662 205069333 /nfs/dbraw/zinc/06/93/33/205069333.db2.gz HXJZZMAXHPAFJU-LPMFXHHGSA-N 0 0 366.465 2.906 40 5 FFBBRN CC(C)(C)OC(=O)CCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000044136088 205107374 /nfs/dbraw/zinc/10/73/74/205107374.db2.gz JNJAYILGKOYKRR-UHFFFAOYSA-O 0 0 354.404 2.728 40 5 in-vitro FFBBRN CCOc1ccc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000057424466 205240158 /nfs/dbraw/zinc/24/01/58/205240158.db2.gz JJLRNNIUPJTJTO-UHFFFAOYSA-N 0 0 350.396 2.814 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225034467 206468543 /nfs/dbraw/zinc/46/85/43/206468543.db2.gz ARKPINADJMBALC-UHFFFAOYSA-N 0 0 351.340 2.637 40 5 FFBBRN COc1cccc2c1O[C@@]1(N3CCOCC3)CCCC[C@@H]1[C@@H]2C[N+](=O)[O-] ZINC000035587086 506388114 /nfs/dbraw/zinc/38/81/14/506388114.db2.gz WZXCWLCTYQZXIV-MDZRGWNJSA-N 0 0 362.426 2.667 40 5 FFBBRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc([N+](=O)[O-])o1 ZINC000006971522 506522091 /nfs/dbraw/zinc/52/20/91/506522091.db2.gz FMKZGHSMBAXEJH-UHFFFAOYSA-N 0 0 374.378 2.886 40 5 FFBBRN CCCc1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000007605449 506573339 /nfs/dbraw/zinc/57/33/39/506573339.db2.gz OXZOAYHTAIBTAG-UHFFFAOYSA-N 0 0 352.372 2.670 40 5 FFBBRN COc1ccc(C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000007939944 506603982 /nfs/dbraw/zinc/60/39/82/506603982.db2.gz WGOQLYBKYDODNW-UHFFFAOYSA-N 0 0 374.349 2.716 40 5 FFBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000009140619 506683942 /nfs/dbraw/zinc/68/39/42/506683942.db2.gz UTIAONFJYZLSIS-UHFFFAOYSA-N 0 0 356.363 2.972 40 5 FFBBRN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000011213971 506769465 /nfs/dbraw/zinc/76/94/65/506769465.db2.gz ZBFKWXYRFQLOKK-OAHLLOKOSA-N 0 0 373.390 2.821 40 5 FFBBRN CCOc1cc([C@@H](N)c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)ccc1OC ZINC000095534377 508197597 /nfs/dbraw/zinc/19/75/97/508197597.db2.gz HBQFENCXNOLLNM-MRXNPFEDSA-N 0 0 369.381 2.835 40 5 FFBBRN CC(C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccncc2)n1 ZINC000328964596 511958789 /nfs/dbraw/zinc/95/87/89/511958789.db2.gz BWSSRFSLENWEAD-UHFFFAOYSA-N 0 0 364.409 2.723 40 5 FFBBRN COc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408649925 513090254 /nfs/dbraw/zinc/09/02/54/513090254.db2.gz AOJGESLAXFECIY-ZDUSSCGKSA-N 0 0 370.361 2.870 40 5 FFBBRN CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409190697 513099914 /nfs/dbraw/zinc/09/99/14/513099914.db2.gz PXKHAMPXQVVMRK-MHWRWJLKSA-N 0 0 353.334 2.696 40 5 FFBBRN COC(=O)c1ccc(CS(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000020453855 522049385 /nfs/dbraw/zinc/04/93/85/522049385.db2.gz BJWJRXQIXQUZLA-UHFFFAOYSA-N 0 0 364.379 2.632 40 5 FFBBRN O=C(N[C@@H]1C=Nc2ccc([N+](=O)[O-])cc2NC1=O)c1ccc(Cl)cc1 ZINC000005664436 204219197 /nfs/dbraw/zinc/21/91/97/204219197.db2.gz WMBXQATVYXLVRX-CQSZACIVSA-N 0 0 358.741 2.701 40 5 FFBBRN COc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000009887909 204384921 /nfs/dbraw/zinc/38/49/21/204384921.db2.gz VEQRBKGBOAHSDN-UHFFFAOYSA-N 0 0 360.366 2.859 40 5 FFBBRN O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005388081 206192926 /nfs/dbraw/zinc/19/29/26/206192926.db2.gz IZAKSIDWROIJKV-UHFFFAOYSA-N 0 0 356.363 2.519 40 5 FFBBRN COc1c(Br)ccc(I)c1[N+](=O)[O-] ZINC000575692900 518249165 /nfs/dbraw/zinc/24/91/65/518249165.db2.gz IVGWNECTWXXDAY-UHFFFAOYSA-N 0 0 357.929 2.971 40 5 FFBBRN COc1ccc([C@H]([C@H](C)[N+](=O)[O-])[C@@H](C(C)=O)C(=O)OC(C)(C)C)cc1 ZINC000005275228 506433796 /nfs/dbraw/zinc/43/37/96/506433796.db2.gz KKZPVPMHEUEJLE-KNXALSJPSA-N 0 0 351.399 2.991 40 5 FFBBRN Cc1cc2c(nc3s/c(=C\c4cccc([N+](=O)[O-])c4[O-])c(=O)n23)c(C)c1 ZINC000005988352 506463567 /nfs/dbraw/zinc/46/35/67/506463567.db2.gz OKNWKFANVVROJR-ZSOIEALJSA-N 0 0 367.386 2.688 40 5 FFBBRN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006517154 506485607 /nfs/dbraw/zinc/48/56/07/506485607.db2.gz IMRZHRCWVPYZHO-UHFFFAOYSA-N 0 0 374.353 2.701 40 5 FFBBRN COc1ccc(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000013671930 506949028 /nfs/dbraw/zinc/94/90/28/506949028.db2.gz VJHSRKFEZDVCHZ-UHFFFAOYSA-N 0 0 350.396 2.515 40 5 FFBBRN COc1cccc(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000013669544 506949374 /nfs/dbraw/zinc/94/93/74/506949374.db2.gz TVWCSDLZVGZEAK-UHFFFAOYSA-N 0 0 350.396 2.515 40 5 FFBBRN COc1ccc(NC(=O)CSc2nc3c(c(C)n2)CCC3)c([N+](=O)[O-])c1 ZINC000014137257 506969466 /nfs/dbraw/zinc/96/94/66/506969466.db2.gz KRSPBUVDEUJFGW-UHFFFAOYSA-N 0 0 374.422 2.921 40 5 FFBBRN C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197067 507025345 /nfs/dbraw/zinc/02/53/45/507025345.db2.gz QCSAJWNWCRHTGJ-YQJFHSMKSA-N 0 0 374.418 2.889 40 5 FFBBRN Cc1c(NC(=O)c2cccc(CN3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000020454410 507222981 /nfs/dbraw/zinc/22/29/81/507222981.db2.gz DVGNEBAKOXGJLL-UHFFFAOYSA-N 0 0 355.394 2.988 40 5 FFBBRN COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 ZINC000020611716 507230362 /nfs/dbraw/zinc/23/03/62/507230362.db2.gz VMLXMACEZNXMHM-UHFFFAOYSA-N 0 0 357.366 2.692 40 5 FFBBRN COc1cc(OCC(=O)NCCCN(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000070784456 507635603 /nfs/dbraw/zinc/63/56/03/507635603.db2.gz LYTAPFCRCQJFBC-UHFFFAOYSA-N 0 0 373.409 2.625 40 5 FFBBRN CCOc1cccc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000223725707 509346412 /nfs/dbraw/zinc/34/64/12/509346412.db2.gz OGCNZWJNXOIQJF-UHFFFAOYSA-N 0 0 350.396 2.814 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000223975665 509350496 /nfs/dbraw/zinc/35/04/96/509350496.db2.gz LXRDWYCWDFAIJN-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN CC=C1C[N@+](C)([O-])[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@H]2C(=O)OC ZINC000252581862 509853473 /nfs/dbraw/zinc/85/34/73/509853473.db2.gz SCBWVOFEDKLZRF-IOPIPEFQSA-N 0 0 368.433 2.975 40 5 biogenic,in-vitro FFBBRN CC(C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329052676 511974072 /nfs/dbraw/zinc/97/40/72/511974072.db2.gz VEGHSXKQMGNTIZ-UHFFFAOYSA-N 0 0 359.283 2.950 40 5 FFBBRN CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O ZINC000409194071 513099847 /nfs/dbraw/zinc/09/98/47/513099847.db2.gz NBPIJOATGPCEPG-NTEUORMPSA-N 0 0 353.334 2.696 40 5 FFBBRN COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000409197982 513100347 /nfs/dbraw/zinc/10/03/47/513100347.db2.gz TVKFHBYCBHCJRG-NTEUORMPSA-N 0 0 353.334 2.696 40 5 FFBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2ccccc2)c1 ZINC000020110995 527388046 /nfs/dbraw/zinc/38/80/46/527388046.db2.gz HTEUUYPOLVAIKX-UHFFFAOYSA-N 0 0 366.464 2.948 40 5 FFBBRN Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000224002749 209774465 /nfs/dbraw/zinc/77/44/65/209774465.db2.gz HVBJMYKLDPROCV-UHFFFAOYSA-N 0 0 364.423 2.877 40 5 FFBBRN COc1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000007882375 209509142 /nfs/dbraw/zinc/50/91/42/209509142.db2.gz RCGQPDWXEXKOTC-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN O=C1c2ccccc2C(=O)N1CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006694737 219760184 /nfs/dbraw/zinc/76/01/84/219760184.db2.gz PLEKAOBGUWFHMT-UHFFFAOYSA-N 0 0 354.347 2.817 40 5 FFBBRN CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000004524686 207025241 /nfs/dbraw/zinc/02/52/41/207025241.db2.gz ABLJTFWVIMNWBF-SFHVURJKSA-N 0 0 353.378 2.988 40 5 FFBBRN CNC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000005914067 207122547 /nfs/dbraw/zinc/12/25/47/207122547.db2.gz CJYAACQXEQUOKS-UHFFFAOYSA-N 0 0 356.363 2.816 40 5 FFBBRN CC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])oc2c1 ZINC000006305003 207135799 /nfs/dbraw/zinc/13/57/99/207135799.db2.gz BJYATRIJXNMMDJ-UHFFFAOYSA-N 0 0 370.321 2.712 40 5 FFBBRN CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000096031819 209096253 /nfs/dbraw/zinc/09/62/53/209096253.db2.gz UXLPJZGKAQRVTA-QGZVFWFLSA-N 0 0 374.393 2.956 40 5 FFBBRN [O-][n+]1c2ccccc2nc2cc(N3CCOCC3)cc(Br)c21 ZINC000078549638 132190844 /nfs/dbraw/zinc/19/08/44/132190844.db2.gz FBGXFARMHVTIKR-UHFFFAOYSA-N 0 0 360.211 2.621 40 5 FFBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409200889 263540597 /nfs/dbraw/zinc/54/05/97/263540597.db2.gz JZJKZYUYYFHZID-UKTHLTGXSA-N 0 0 364.379 2.974 40 5 FFBBRN CC(=O)Oc1cccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1 ZINC000001508978 506263748 /nfs/dbraw/zinc/26/37/48/506263748.db2.gz VIPMQTBUBJLBHB-YBEGLDIGSA-N 0 0 352.302 2.865 40 5 FFBBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000007928511 506604430 /nfs/dbraw/zinc/60/44/30/506604430.db2.gz BPDWUUOBEODFQL-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000008902448 506672795 /nfs/dbraw/zinc/67/27/95/506672795.db2.gz OWKLHJOUOBTRTG-UHFFFAOYSA-N 0 0 372.337 2.592 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCOCC2)cc1 ZINC000014396921 506989363 /nfs/dbraw/zinc/98/93/63/506989363.db2.gz IDECUCXQPBRWEB-UHFFFAOYSA-N 0 0 357.366 2.692 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000020111185 507213643 /nfs/dbraw/zinc/21/36/43/507213643.db2.gz WYWSTGXAGWZWGG-UHFFFAOYSA-N 0 0 351.340 2.753 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CN2CCOCC2)c1 ZINC000020453515 507222835 /nfs/dbraw/zinc/22/28/35/507222835.db2.gz UBFVAAWJKPRRAM-UHFFFAOYSA-N 0 0 371.393 2.688 40 5 FFBBRN CCOc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000020495673 507224023 /nfs/dbraw/zinc/22/40/23/507224023.db2.gz NXIVWCJJFRVNGF-UHFFFAOYSA-N 0 0 350.396 2.780 40 5 FFBBRN CCN(CC)Cc1nnc2sc(COc3ccc([N+](=O)[O-])cc3)nn12 ZINC000071260564 507698738 /nfs/dbraw/zinc/69/87/38/507698738.db2.gz IJTLXAHLQYKFMW-UHFFFAOYSA-N 0 0 362.415 2.515 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000224154320 509354784 /nfs/dbraw/zinc/35/47/84/509354784.db2.gz FYCPEXANRGFGRN-UHFFFAOYSA-N 0 0 364.423 2.877 40 5 FFBBRN CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224759686 509360326 /nfs/dbraw/zinc/36/03/26/509360326.db2.gz BSRBNRBYMGEUQL-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN COc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000224772103 509361041 /nfs/dbraw/zinc/36/10/41/509361041.db2.gz AEEXQGXTSCZLFD-UHFFFAOYSA-N 0 0 366.395 2.746 40 5 FFBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COc2ccccc2O1 ZINC000225236778 509367695 /nfs/dbraw/zinc/36/76/95/509367695.db2.gz XEGZUXIYSNTDLV-OAHLLOKOSA-N 0 0 374.418 2.784 40 5 FFBBRN O=[N+]([O-])c1cc(Nc2cc(-c3ccccn3)nc(NC3CC3)n2)ccc1F ZINC000328982452 511961182 /nfs/dbraw/zinc/96/11/82/511961182.db2.gz HAIFSCSWDIQZEH-UHFFFAOYSA-N 0 0 366.356 2.748 40 5 FFBBRN CC(C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C(F)(F)F)n1 ZINC000328988489 511962167 /nfs/dbraw/zinc/96/21/67/511962167.db2.gz IHBSNLQGAGJKJW-UHFFFAOYSA-N 0 0 359.283 2.950 40 5 FFBBRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408552640 513086852 /nfs/dbraw/zinc/08/68/52/513086852.db2.gz MGFMQZYVBHFOPY-UHFFFAOYSA-N 0 0 365.367 2.964 40 5 FFBBRN O=C1NC(=S)NC1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408719568 513092636 /nfs/dbraw/zinc/09/26/36/513092636.db2.gz WSGOLZBNIMOKJT-OQLLNIDSSA-N 0 0 355.375 2.519 40 5 FFBBRN CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225012789 521495439 /nfs/dbraw/zinc/49/54/39/521495439.db2.gz BMJAVDFWTRIPTL-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN COc1ccc(CN(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000020460996 524008832 /nfs/dbraw/zinc/00/88/32/524008832.db2.gz IWYLGQAFWBDVDI-UHFFFAOYSA-N 0 0 350.396 2.565 40 5 FFBBRN CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC1CCCC1 ZINC000020051765 209612381 /nfs/dbraw/zinc/61/23/81/209612381.db2.gz XACVEZHQZOAPAB-UHFFFAOYSA-N 0 0 365.437 2.655 40 5 FFBBRN CC(C)Oc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000113938994 209341256 /nfs/dbraw/zinc/34/12/56/209341256.db2.gz LNUIVGKUIVRXTB-UHFFFAOYSA-N 0 0 350.396 2.861 40 5 FFBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1Br ZINC000100114978 209208390 /nfs/dbraw/zinc/20/83/90/209208390.db2.gz WTHRTSHMOCVSMH-UHFFFAOYSA-N 0 0 370.897 2.936 40 5 FFBBRN CC[C@](Br)([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC ZINC000096521635 209154066 /nfs/dbraw/zinc/15/40/66/209154066.db2.gz RCKCXMZAOKNPDM-NWDGAFQWSA-N 0 0 366.233 2.564 40 5 FFBBRN NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000004771235 207047826 /nfs/dbraw/zinc/04/78/26/207047826.db2.gz YPWKXXIGHMFNKO-UHFFFAOYSA-N 0 0 370.774 2.540 40 5 FFBBRN COc1cc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000009887540 207289215 /nfs/dbraw/zinc/28/92/15/207289215.db2.gz XJLYAUXOCFPZKX-UHFFFAOYSA-N 0 0 360.366 2.859 40 5 FFBBRN O=C(OCc1ccccc1CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000031948016 208020269 /nfs/dbraw/zinc/02/02/69/208020269.db2.gz CQVWWUSDJLTREN-UHFFFAOYSA-N 0 0 356.378 2.784 40 5 FFBBRN Cc1nccn1-c1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000044901701 208320260 /nfs/dbraw/zinc/32/02/60/208320260.db2.gz LQLCAYMASUCKAI-UHFFFAOYSA-N 0 0 372.406 2.567 40 5 FFBBRN Cc1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410862 263379659 /nfs/dbraw/zinc/37/96/59/263379659.db2.gz MRTUAGBRZOZGDC-UHFFFAOYSA-N 0 0 371.393 2.757 40 5 FFBBRN O=C(COC(=O)CCC(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000007396206 506560278 /nfs/dbraw/zinc/56/02/78/506560278.db2.gz DEUCBVJOVSGZAG-UHFFFAOYSA-N 0 0 356.334 2.740 40 5 FFBBRN COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000007928508 506604574 /nfs/dbraw/zinc/60/45/74/506604574.db2.gz GWTPMQDJSYVIBX-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN Nc1nc(-c2ccccc2)c(CCCOc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000017040402 507113925 /nfs/dbraw/zinc/11/39/25/507113925.db2.gz PMALEAKMHWJFCJ-UHFFFAOYSA-N 0 0 366.377 2.939 40 5 FFBBRN OCCCNC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000104545332 508338604 /nfs/dbraw/zinc/33/86/04/508338604.db2.gz CNECMIDDMWRUJO-UHFFFAOYSA-N 0 0 351.435 2.933 40 5 FFBBRN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1C ZINC000223800922 509347980 /nfs/dbraw/zinc/34/79/80/509347980.db2.gz YTGIHQHPVCDWSO-UHFFFAOYSA-N 0 0 364.379 2.799 40 5 FFBBRN Cc1nc2ccccc2c2c(=O)[n-]c(SCc3ccccc3F)n[n+]12 ZINC000588227646 518758101 /nfs/dbraw/zinc/75/81/01/518758101.db2.gz IWCRESLBZCILBC-UHFFFAOYSA-O 0 0 353.402 2.797 40 5 FFBBRN Cc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611856 525279734 /nfs/dbraw/zinc/27/97/34/525279734.db2.gz PWMPLIROWDQFDD-UHFFFAOYSA-N 0 0 371.393 2.757 40 5 FFBBRN Cc1nccn1-c1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000038756370 208206114 /nfs/dbraw/zinc/20/61/14/208206114.db2.gz PBXDHBKHLXUNBC-UHFFFAOYSA-N 0 0 372.406 2.567 40 5 FFBBRN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000007363388 263350282 /nfs/dbraw/zinc/35/02/82/263350282.db2.gz JZOJVRZYRYPYRC-UHFFFAOYSA-N 0 0 352.368 2.721 40 5 FFBBRN O=C1C/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccccc1 ZINC000001715317 506268921 /nfs/dbraw/zinc/26/89/21/506268921.db2.gz LJTHKSHWHOLILD-SDQBBNPISA-N 0 0 352.302 2.670 40 5 FFBBRN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000001948876 506270907 /nfs/dbraw/zinc/27/09/07/506270907.db2.gz WEXARJOSONPQTM-UHFFFAOYSA-N 0 0 372.333 2.567 40 5 FFBBRN COc1ccc([C@H]([C@@H](C)[N+](=O)[O-])[C@@H](C(C)=O)C(=O)OC(C)(C)C)cc1 ZINC000005276055 506434233 /nfs/dbraw/zinc/43/42/33/506434233.db2.gz KKZPVPMHEUEJLE-XFBWCDHKSA-N 0 0 351.399 2.991 40 5 FFBBRN Nc1nc2c(cc(-c3nc4ccccc4[nH]3)c3nc4ccccc4n32)c(=O)[nH]1 ZINC000013234009 506934469 /nfs/dbraw/zinc/93/44/69/506934469.db2.gz OLYDLGFTRDKTSV-UHFFFAOYSA-N 0 0 367.372 2.850 40 5 FFBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br ZINC000015798863 507061138 /nfs/dbraw/zinc/06/11/38/507061138.db2.gz HTJWAVURXJMVGD-XXHBBNRNSA-N 0 0 363.167 2.669 40 5 FFBBRN Cc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000016445964 507090041 /nfs/dbraw/zinc/09/00/41/507090041.db2.gz OLBRONGEMWPUHB-UHFFFAOYSA-N 0 0 354.410 2.664 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CN2CCOCC2)c1 ZINC000068368360 507205849 /nfs/dbraw/zinc/20/58/49/507205849.db2.gz MEPBJBXLGUPPJU-UHFFFAOYSA-N 0 0 355.394 2.988 40 5 FFBBRN COc1ccc(OC)c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000022259375 507286660 /nfs/dbraw/zinc/28/66/60/507286660.db2.gz GCBLFGRMMUKJAV-UHFFFAOYSA-N 0 0 362.338 2.638 40 5 FFBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103933568 508324323 /nfs/dbraw/zinc/32/43/23/508324323.db2.gz GYIUOYVEWPBUOH-UHFFFAOYSA-N 0 0 362.254 2.672 40 5 FFBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1N(C)S(C)(=O)=O ZINC000222452978 509317652 /nfs/dbraw/zinc/31/76/52/509317652.db2.gz VXSGIXJULMMUPQ-UHFFFAOYSA-N 0 0 363.395 2.551 40 5 FFBBRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222446332 509318200 /nfs/dbraw/zinc/31/82/00/509318200.db2.gz PORPBNXEMQTWBN-HNNXBMFYSA-N 0 0 369.421 2.609 40 5 FFBBRN CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225027554 509362577 /nfs/dbraw/zinc/36/25/77/509362577.db2.gz NHPNJJNLPJTCJJ-UHFFFAOYSA-N 0 0 350.352 2.539 40 5 FFBBRN Cc1c(Nc2cc(-c3cccnc3)nc(NC3CC3)n2)cccc1[N+](=O)[O-] ZINC000328990933 511963031 /nfs/dbraw/zinc/96/30/31/511963031.db2.gz IQIGXSNUKSQHRB-UHFFFAOYSA-N 0 0 362.393 2.917 40 5 FFBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000409103357 513098179 /nfs/dbraw/zinc/09/81/79/513098179.db2.gz GRUGMXVDCWQWHW-SZUMLMDFSA-N 0 0 350.352 2.501 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224784464 209791917 /nfs/dbraw/zinc/79/19/17/209791917.db2.gz OOHBGVCWPBTSPP-UHFFFAOYSA-N 0 0 365.367 2.945 40 5 FFBBRN Cc1ccc(C)c(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000224003596 209774821 /nfs/dbraw/zinc/77/48/21/209774821.db2.gz VLWSODBYJCEMHA-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN CCOc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000219825791 209691871 /nfs/dbraw/zinc/69/18/71/209691871.db2.gz QJEQYWPUBNXVII-UHFFFAOYSA-N 0 0 360.366 2.697 40 5 FFBBRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000004135131 207002956 /nfs/dbraw/zinc/00/29/56/207002956.db2.gz LLJMZLIKWGYCGQ-QWHCGFSZSA-N 0 0 370.434 2.573 40 5 FFBBRN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000035183152 208119263 /nfs/dbraw/zinc/11/92/63/208119263.db2.gz WTZMWVYGTPUZFA-DLBZAZTESA-N 0 0 351.362 2.853 40 5 FFBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCSCC2)cc1N1CCSCC1 ZINC000004797737 132255225 /nfs/dbraw/zinc/25/52/25/132255225.db2.gz FFKBLBWANVSIOC-UHFFFAOYSA-N 0 0 370.456 2.609 40 5 FFBBRN CN(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000014426631 132874559 /nfs/dbraw/zinc/87/45/59/132874559.db2.gz FMJFHHCZRLJGBI-UHFFFAOYSA-N 0 0 370.409 2.750 40 5 FFBBRN COc1ccccc1N1CCN(CC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000408556625 263470500 /nfs/dbraw/zinc/47/05/00/263470500.db2.gz KUMPQDSYVWKEFY-UHFFFAOYSA-N 0 0 355.394 2.608 40 5 FFBBRN CSc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1 ZINC000408567122 263473719 /nfs/dbraw/zinc/47/37/19/263473719.db2.gz PUSBVSCTISMWMO-POZUXBRTSA-N 0 0 369.446 2.930 40 5 FFBBRN CCOC(=O)/C=C/c1cc(/C=C/C(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003845032 506350002 /nfs/dbraw/zinc/35/00/02/506350002.db2.gz GNYXEDLKXWQGOU-KQQUZDAGSA-N 0 0 364.310 2.656 40 5 FFBBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000010364698 506741262 /nfs/dbraw/zinc/74/12/62/506741262.db2.gz LYWHHMROMYFHSM-UHFFFAOYSA-N 0 0 363.395 2.835 40 5 FFBBRN O=[N+]([O-])c1ccc(Cn2nc(Br)nc2Br)cc1 ZINC000067799613 507012514 /nfs/dbraw/zinc/01/25/14/507012514.db2.gz BUPIODUGUPJNCO-UHFFFAOYSA-N 0 0 361.981 2.760 40 5 FFBBRN Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000019683124 507189864 /nfs/dbraw/zinc/18/98/64/507189864.db2.gz BODGYEQMYAUWGV-UHFFFAOYSA-N 0 0 355.394 2.988 40 5 FFBBRN Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000022496268 507296833 /nfs/dbraw/zinc/29/68/33/507296833.db2.gz PODVGFDYSRPGFQ-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN Cc1cccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000223924251 509350703 /nfs/dbraw/zinc/35/07/03/509350703.db2.gz HZEFHNRXNYVRJV-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224747013 509361533 /nfs/dbraw/zinc/36/15/33/509361533.db2.gz JLVWMIPZUHURAX-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225024167 509362703 /nfs/dbraw/zinc/36/27/03/509362703.db2.gz FELGDAUHRUQDQX-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN Cn1c2cc(NC(=O)c3ccccc3Cl)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408529912 513084236 /nfs/dbraw/zinc/08/42/36/513084236.db2.gz IGLGXCLJLZNGHE-UHFFFAOYSA-N 0 0 360.757 2.691 40 5 FFBBRN COCCCNC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000408575708 513087999 /nfs/dbraw/zinc/08/79/99/513087999.db2.gz PQEKLAKDQOVQLP-UHFFFAOYSA-N 0 0 371.393 2.542 40 5 FFBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1O ZINC000408598828 513088600 /nfs/dbraw/zinc/08/86/00/513088600.db2.gz BLMXEPJUCSECNG-UHFFFAOYSA-N 0 0 350.714 2.749 40 5 FFBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000409103355 513098652 /nfs/dbraw/zinc/09/86/52/513098652.db2.gz GRUGMXVDCWQWHW-SZJBZFAYSA-N 0 0 350.352 2.501 40 5 FFBBRN CCOc1ccccc1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000019932660 521505673 /nfs/dbraw/zinc/50/56/73/521505673.db2.gz WTHSSNWABNCCBZ-UHFFFAOYSA-N 0 0 350.396 2.780 40 5 FFBBRN CCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)n1CC ZINC000020051116 522783824 /nfs/dbraw/zinc/78/38/24/522783824.db2.gz IODIRHNGVMUZJG-UHFFFAOYSA-N 0 0 365.415 2.508 40 5 FFBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000205735222 571232146 /nfs/dbraw/zinc/23/21/46/571232146.db2.gz OZPWZJVTNIDELR-KPKJPENVSA-N 0 0 350.352 2.583 40 5 FFBBRN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000878035 209380192 /nfs/dbraw/zinc/38/01/92/209380192.db2.gz LWEBRHIDAFLUBH-UHFFFAOYSA-N 0 0 373.390 2.898 40 5 FFBBRN O=Cc1cc([N+](=O)[O-])ccc1O[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000100864214 209218824 /nfs/dbraw/zinc/21/88/24/209218824.db2.gz KHQANEGSTQNJCY-HNNXBMFYSA-N 0 0 374.736 2.772 40 5 FFBBRN CCCCOC(=O)c1ccc(Sc2nnc(CC)n2N)c([N+](=O)[O-])c1 ZINC000070462333 206676418 /nfs/dbraw/zinc/67/64/18/206676418.db2.gz XTVGTDRBRVIHRE-UHFFFAOYSA-N 0 0 365.415 2.571 40 5 FFBBRN COc1cc2c(cc1OC)C(Cc1cc3c(cc1[N+](=O)[O-])OCO3)=NCC2 ZINC000005004202 207070552 /nfs/dbraw/zinc/07/05/52/207070552.db2.gz RROCAEFPXQTSDU-UHFFFAOYSA-N 0 0 370.361 2.929 40 5 FFBBRN Cc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000044885380 208319817 /nfs/dbraw/zinc/31/98/17/208319817.db2.gz ILWMPZQZQQTXJM-UHFFFAOYSA-N 0 0 372.406 2.567 40 5 FFBBRN COC(=O)CCNC(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-] ZINC000003081946 506309057 /nfs/dbraw/zinc/30/90/57/506309057.db2.gz ZELSBDVFKNERNW-UHFFFAOYSA-N 0 0 372.377 2.775 40 5 FFBBRN O=C(NC1CCCCC1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000065803325 506370055 /nfs/dbraw/zinc/37/00/55/506370055.db2.gz BUPGBNIKTABQKF-UHFFFAOYSA-N 0 0 359.426 2.896 40 5 FFBBRN CC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035290751 506378779 /nfs/dbraw/zinc/37/87/79/506378779.db2.gz TZAHJWBVODHRPG-INIZCTEOSA-N 0 0 373.461 2.610 40 5 FFBBRN COc1cc(OCC(=O)NCCOc2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000066027480 506412834 /nfs/dbraw/zinc/41/28/34/506412834.db2.gz MCKOIUQBBNQNFJ-UHFFFAOYSA-N 0 0 374.393 2.794 40 5 FFBBRN Cn1c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2n(C)c1=O ZINC000042645459 506648484 /nfs/dbraw/zinc/64/84/84/506648484.db2.gz WAOQAULEFGGBBQ-UHFFFAOYSA-N 0 0 360.757 2.691 40 5 FFBBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000015198022 507024718 /nfs/dbraw/zinc/02/47/18/507024718.db2.gz QIIAWYAGBLNGRP-GFCCVEGCSA-N 0 0 362.407 2.798 40 5 FFBBRN COC(=O)/C=C/COc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000017064524 507113437 /nfs/dbraw/zinc/11/34/37/507113437.db2.gz HDFRDZXNFSPCEX-QPJJXVBHSA-N 0 0 370.361 2.633 40 5 FFBBRN CCCOC(=O)c1cc(Cl)c(Sc2nnc(C)n2N)c([N+](=O)[O-])c1 ZINC000070462503 507613490 /nfs/dbraw/zinc/61/34/90/507613490.db2.gz VOSQFHBBUAAWLA-UHFFFAOYSA-N 0 0 371.806 2.580 40 5 FFBBRN COc1ccc(C(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000216959225 509266051 /nfs/dbraw/zinc/26/60/51/509266051.db2.gz YXTXIYXISGXUPF-UHFFFAOYSA-N 0 0 353.334 2.654 40 5 FFBBRN COC(=O)c1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000225078583 509364465 /nfs/dbraw/zinc/36/44/65/509364465.db2.gz MULCLLLDWZUMJM-UHFFFAOYSA-N 0 0 364.379 2.515 40 5 FFBBRN CC(C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccn2)n1 ZINC000328987611 511961852 /nfs/dbraw/zinc/96/18/52/511961852.db2.gz IBLVOJMCIVZNKX-UHFFFAOYSA-N 0 0 368.372 2.994 40 5 FFBBRN CCOC(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409177060 513100205 /nfs/dbraw/zinc/10/02/05/513100205.db2.gz BWUYUYSKSPAPTR-UHFFFAOYSA-N 0 0 361.379 2.897 40 5 FFBBRN COc1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000217886852 524044124 /nfs/dbraw/zinc/04/41/24/524044124.db2.gz ODNHZJLLTAIALG-JXMROGBWSA-N 0 0 372.377 2.950 40 5 FFBBRN COc1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1OC ZINC000217941191 524066345 /nfs/dbraw/zinc/06/63/45/524066345.db2.gz DNSPZXHYPWTKFX-UHFFFAOYSA-N 0 0 360.366 2.859 40 5 FFBBRN COc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000020496191 526219103 /nfs/dbraw/zinc/21/91/03/526219103.db2.gz VGLLKSCLMJULTJ-UHFFFAOYSA-N 0 0 370.321 2.914 40 5 FFBBRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)/c(=N/[Si](C)(C)C)s1 ZINC000195815364 991437753 /nfs/dbraw/zinc/43/77/53/991437753.db2.gz IPZNSSAYONFVHH-PEZBUJJGSA-N 0 0 366.475 2.754 40 5 FFBBRN O=[N+]([O-])c1ccc(I)c(I)c1 ZINC000004416307 207020062 /nfs/dbraw/zinc/02/00/62/207020062.db2.gz FBLUCIWMGHTPJO-UHFFFAOYSA-N 0 0 374.903 2.804 40 5 FFBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006238416 207134286 /nfs/dbraw/zinc/13/42/86/207134286.db2.gz XSTZSXRFEJZWGI-UHFFFAOYSA-N 0 0 358.379 2.680 40 5 FFBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NS(C)(=O)=O ZINC000010328366 207299052 /nfs/dbraw/zinc/29/90/52/207299052.db2.gz XENXWBBVOWGHQO-UHFFFAOYSA-N 0 0 363.395 2.835 40 5 FFBBRN COc1cccc(CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000010543437 207303773 /nfs/dbraw/zinc/30/37/73/207303773.db2.gz UEMGWVRCQONHTQ-UHFFFAOYSA-N 0 0 350.396 2.515 40 5 FFBBRN COCCCn1ccc2nc3ccn(CCC(C)C)c(=O)c3cc2c1=O ZINC000038828945 208205362 /nfs/dbraw/zinc/20/53/62/208205362.db2.gz OPDXVINLMUZMPZ-UHFFFAOYSA-N 0 0 355.438 2.794 40 5 FFBBRN CN(C)n1ccc2nc3ccn(C4CCCCCC4)c(=O)c3cc2c1=O ZINC000040398666 208250895 /nfs/dbraw/zinc/25/08/95/208250895.db2.gz HHLDQEQEVOCLPD-UHFFFAOYSA-N 0 0 352.438 2.804 40 5 FFBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccccc2)no1 ZINC000044779026 208317685 /nfs/dbraw/zinc/31/76/85/208317685.db2.gz QUCQSSHRDDTPFN-DHZHZOJOSA-N 0 0 350.334 2.974 40 5 FFBBRN Cc1ccc(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000006206204 263344399 /nfs/dbraw/zinc/34/43/99/263344399.db2.gz VAYPHLRMXZCQSV-UHFFFAOYSA-N 0 0 358.310 2.697 40 5 FFBBRN O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000000601826 506224697 /nfs/dbraw/zinc/22/46/97/506224697.db2.gz ZLHZLMOSPGACSZ-LLVKDONJSA-N 0 0 359.260 2.668 40 5 FFBBRN O=C(Nc1nnc(-c2ccccc2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000009062137 506679405 /nfs/dbraw/zinc/67/94/05/506679405.db2.gz XHCNXQNNHJBZHF-UHFFFAOYSA-N 0 0 355.266 2.805 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(C)C)[C@@H]2C1=O ZINC000015659603 507053871 /nfs/dbraw/zinc/05/38/71/507053871.db2.gz RTUNLQSOBPMNDX-LZDSYCOUSA-N 0 0 354.362 2.861 40 5 FFBBRN Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccn1 ZINC000016755639 507105900 /nfs/dbraw/zinc/10/59/00/507105900.db2.gz HHSIXKHQGLQREB-UHFFFAOYSA-N 0 0 355.379 2.760 40 5 FFBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1nccs1 ZINC000059212780 507495023 /nfs/dbraw/zinc/49/50/23/507495023.db2.gz OFFCSMMUEMWWHM-UHFFFAOYSA-N 0 0 363.380 2.832 40 5 FFBBRN CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408701145 513090831 /nfs/dbraw/zinc/09/08/31/513090831.db2.gz SDOFVOKDYWPRSH-UHFFFAOYSA-N 0 0 363.395 2.917 40 5 FFBBRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000408713864 513091784 /nfs/dbraw/zinc/09/17/84/513091784.db2.gz BIGYCQYYGOLGSV-UHFFFAOYSA-N 0 0 368.349 2.682 40 5 FFBBRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000408714817 513092020 /nfs/dbraw/zinc/09/20/20/513092020.db2.gz XDOBFVCVWMSMNE-UHFFFAOYSA-N 0 0 352.350 2.846 40 5 FFBBRN COC(=O)c1ccc(C)c(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000020036660 521989969 /nfs/dbraw/zinc/98/99/69/521989969.db2.gz KXUIOXBKQFWOKY-UHFFFAOYSA-N 0 0 364.379 2.632 40 5 FFBBRN Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000004976450 209434235 /nfs/dbraw/zinc/43/42/35/209434235.db2.gz UDTUMYKDJOPGNE-UHFFFAOYSA-N 0 0 370.394 2.516 40 5 FFBBRN CC[C@](Br)([C@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC ZINC000096521652 209154136 /nfs/dbraw/zinc/15/41/36/209154136.db2.gz DWYYUUUTVODQRY-VXGBXAGGSA-N 0 0 366.233 2.564 40 5 FFBBRN CCN1CCN(c2c(Cl)cc(C(=O)OC(C)C)cc2[N+](=O)[O-])CC1 ZINC000070462687 136138361 /nfs/dbraw/zinc/13/83/61/136138361.db2.gz QGAOJDSFHKUVRU-UHFFFAOYSA-N 0 0 355.822 2.955 40 5 FFBBRN CCOc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000066023211 506412544 /nfs/dbraw/zinc/41/25/44/506412544.db2.gz NPJFLOLMKLKWKS-UHFFFAOYSA-N 0 0 360.366 2.697 40 5 FFBBRN O=C(CCC(=O)OCc1cccc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006505878 506486349 /nfs/dbraw/zinc/48/63/49/506486349.db2.gz GCZZQDXREBMHJH-UHFFFAOYSA-N 0 0 373.321 2.965 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc(C)c2)CC1=O ZINC000007928437 506604106 /nfs/dbraw/zinc/60/41/06/506604106.db2.gz OYFKWSDNOPWVCR-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN CN(C)c1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000009062433 506679990 /nfs/dbraw/zinc/67/99/90/506679990.db2.gz LUWXVFDFXPCLGH-UHFFFAOYSA-N 0 0 353.338 2.963 40 5 FFBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000010327421 506737857 /nfs/dbraw/zinc/73/78/57/506737857.db2.gz ABOCHDVOTJEDQY-UHFFFAOYSA-N 0 0 370.390 2.795 40 5 FFBBRN CCOC(=O)c1cn2nc(SCc3cccc([N+](=O)[O-])c3)nc2nc1C ZINC000014165265 506972137 /nfs/dbraw/zinc/97/21/37/506972137.db2.gz AHTYZMDLZPSSII-UHFFFAOYSA-N 0 0 373.394 2.810 40 5 FFBBRN C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197362 507025523 /nfs/dbraw/zinc/02/55/23/507025523.db2.gz DNSNYHBODVPJIX-ASJRZHAZSA-N 0 0 374.418 2.889 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937310 507205787 /nfs/dbraw/zinc/20/57/87/507205787.db2.gz DXRLOBQYHWRCQA-UHFFFAOYSA-N 0 0 350.334 2.906 40 5 FFBBRN CCc1ccc(OCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000224482770 509357500 /nfs/dbraw/zinc/35/75/00/509357500.db2.gz MEMSISVMFBIVJO-UHFFFAOYSA-N 0 0 364.423 2.656 40 5 FFBBRN CCNc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2ccncc2)n1 ZINC000329004433 511965831 /nfs/dbraw/zinc/96/58/31/511965831.db2.gz KSRGXCQQKVOHIU-UHFFFAOYSA-N 0 0 350.382 2.774 40 5 FFBBRN CC(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329017847 511968160 /nfs/dbraw/zinc/96/81/60/511968160.db2.gz NNCJYSFTRFXYCU-UHFFFAOYSA-N 0 0 364.409 2.723 40 5 FFBBRN CC(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000329032234 511971287 /nfs/dbraw/zinc/97/12/87/511971287.db2.gz QNMOBOGMJLRJMZ-UHFFFAOYSA-N 0 0 364.409 2.723 40 5 FFBBRN COc1ccc(Nc2cc(C(F)(F)F)nc(NC3CC3)n2)c([N+](=O)[O-])c1 ZINC000329064699 511976873 /nfs/dbraw/zinc/97/68/73/511976873.db2.gz XMEASDDQKRECCH-UHFFFAOYSA-N 0 0 369.303 2.574 40 5 FFBBRN CC(C)C1=C[C@](O)(C(F)(F)F)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000409060549 513098663 /nfs/dbraw/zinc/09/86/63/513098663.db2.gz XFJWNZALIKKGOP-AWEZNQCLSA-N 0 0 359.304 2.633 40 5 FFBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409200803 513099769 /nfs/dbraw/zinc/09/97/69/513099769.db2.gz JPNUXWQZKYRGPJ-XNFYSYIQSA-N 0 0 364.379 2.973 40 5 FFBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409200801 513100228 /nfs/dbraw/zinc/10/02/28/513100228.db2.gz JPNUXWQZKYRGPJ-SEEODLKFSA-N 0 0 364.379 2.973 40 5 FFBBRN COc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000020484419 524683866 /nfs/dbraw/zinc/68/38/66/524683866.db2.gz AJZXJSQJPIUCAI-UHFFFAOYSA-N 0 0 352.368 2.554 40 5 FFBBRN COc1cc(OCC(=O)NCCCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000219824698 209692014 /nfs/dbraw/zinc/69/20/14/209692014.db2.gz QRNPQCNRQBYNDI-UHFFFAOYSA-N 0 0 362.357 2.870 40 5 FFBBRN COc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1OC ZINC000073642366 208188798 /nfs/dbraw/zinc/18/87/98/208188798.db2.gz LCXHHENVHRAWJE-UHFFFAOYSA-N 0 0 355.350 2.691 40 5 FFBBRN CN(C)n1ccc2nc3ccn(-c4ccccc4Cl)c(=O)c3cc2c1=O ZINC000040398689 208251517 /nfs/dbraw/zinc/25/15/17/208251517.db2.gz JWEPERCYTCJPGI-UHFFFAOYSA-N 0 0 366.808 2.552 40 5 FFBBRN CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000096031818 209095887 /nfs/dbraw/zinc/09/58/87/209095887.db2.gz UXLPJZGKAQRVTA-KRWDZBQOSA-N 0 0 374.393 2.956 40 5 FFBBRN CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000007882612 506598832 /nfs/dbraw/zinc/59/88/32/506598832.db2.gz HVOFUWVKMICPDE-AWEZNQCLSA-N 0 0 367.361 2.789 40 5 FFBBRN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927967 506602218 /nfs/dbraw/zinc/60/22/18/506602218.db2.gz RHSVFTJWOLLIRG-CYBMUJFWSA-N 0 0 369.377 2.985 40 5 FFBBRN COc1ccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000020047299 507210589 /nfs/dbraw/zinc/21/05/89/507210589.db2.gz GKUSQQKNTJDROO-GFCCVEGCSA-N 0 0 350.396 2.951 40 5 FFBBRN CS(=O)(=O)Nc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000061341678 507609361 /nfs/dbraw/zinc/60/93/61/507609361.db2.gz BYMGFBLWETXMKF-UHFFFAOYSA-N 0 0 369.786 2.872 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000223985269 509353805 /nfs/dbraw/zinc/35/38/05/509353805.db2.gz ZIFRKGHCUXELMG-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000224141649 509355978 /nfs/dbraw/zinc/35/59/78/509355978.db2.gz ZRSCFJZHLMAOBQ-UHFFFAOYSA-N 0 0 370.814 2.914 40 5 FFBBRN CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000224759952 509360409 /nfs/dbraw/zinc/36/04/09/509360409.db2.gz AXXPUEYZWKQCGR-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN CCOC(=O)c1cccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000225013011 509363378 /nfs/dbraw/zinc/36/33/78/509363378.db2.gz WHCVYIMJJPSPKS-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN Cc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000408618624 513089800 /nfs/dbraw/zinc/08/98/00/513089800.db2.gz DRMJJGGLNGYKTI-UHFFFAOYSA-N 0 0 373.390 2.801 40 5 FFBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000225112697 571294120 /nfs/dbraw/zinc/29/41/20/571294120.db2.gz WNMFGLFXGGPMDE-UHFFFAOYSA-N 0 0 354.359 2.876 40 5 FFBBRN O=[N+]([O-])c1cc(Nc2cc(C(F)(F)F)nc(NC3CC3)n2)ccc1F ZINC000329005320 210128807 /nfs/dbraw/zinc/12/88/07/210128807.db2.gz KXWHYPKKTKECGG-UHFFFAOYSA-N 0 0 357.267 2.704 40 5 FFBBRN COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224774849 222820577 /nfs/dbraw/zinc/82/05/77/222820577.db2.gz SYLLPINLEWCTLM-UHFFFAOYSA-N 0 0 364.379 2.515 40 5 FFBBRN Cc1cc(OCC(=O)NCc2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000022257162 211345106 /nfs/dbraw/zinc/34/51/06/211345106.db2.gz MRLWQXWMAUZPIX-UHFFFAOYSA-N 0 0 368.349 2.648 40 5 FFBBRN CCOC(=O)c1cn(C2CC2)c2c(F)c(F)c(F)c([N+](=O)[O-])c2c1=O ZINC000021992561 211333802 /nfs/dbraw/zinc/33/38/02/211333802.db2.gz PRNXYRWUZSNSFK-UHFFFAOYSA-N 0 0 356.256 2.839 40 5 FFBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000020490040 211284119 /nfs/dbraw/zinc/28/41/19/211284119.db2.gz QLTZZTTWTJTYAD-UHFFFAOYSA-N 0 0 350.440 2.983 40 5 FFBBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000006954733 210721508 /nfs/dbraw/zinc/72/15/08/210721508.db2.gz PUTWEKOBUIYDGF-UHFFFAOYSA-N 0 0 361.379 2.739 40 5 FFBBRN O=C(c1ccccc1[N+](=O)[O-])N1NC(C(F)(F)F)=C[C@]1(O)C(F)(F)F ZINC000001064070 210311256 /nfs/dbraw/zinc/31/12/56/210311256.db2.gz GRMPNWKXOWIFQU-JTQLQIEISA-N 0 0 371.193 2.610 40 5 FFBBRN COc1cc(OCC(=O)NCCSc2ccccc2)ccc1[N+](=O)[O-] ZINC000066017517 221238319 /nfs/dbraw/zinc/23/83/19/221238319.db2.gz DWUJPEGKCGRZOR-UHFFFAOYSA-N 0 0 362.407 2.891 40 5 FFBBRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 ZINC000033471458 263395465 /nfs/dbraw/zinc/39/54/65/263395465.db2.gz CXMCKQTUORRDOY-RMKNXTFCSA-N 0 0 365.433 2.995 40 5 FFBBRN COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NCCOc1ccc(C)cc1 ZINC000045206848 263405478 /nfs/dbraw/zinc/40/54/78/263405478.db2.gz DAEODGKAGPKZDI-UHFFFAOYSA-N 0 0 373.409 2.787 40 5 FFBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000003400956 506327027 /nfs/dbraw/zinc/32/70/27/506327027.db2.gz JCGDYQYCZNHERC-UHFFFAOYSA-N 0 0 357.366 2.765 40 5 FFBBRN Cc1c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000008331213 506643892 /nfs/dbraw/zinc/64/38/92/506643892.db2.gz IZDZRNOWPMKIBI-UHFFFAOYSA-N 0 0 363.395 2.551 40 5 FFBBRN N[C@H](c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533988 508197674 /nfs/dbraw/zinc/19/76/74/508197674.db2.gz IOYFNKDPAULTGZ-HNNXBMFYSA-N 0 0 359.773 2.993 40 5 FFBBRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225215269 509367829 /nfs/dbraw/zinc/36/78/29/509367829.db2.gz WMZYXANEMQLRCU-HNNXBMFYSA-N 0 0 369.421 2.609 40 5 FFBBRN CC(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccncc2)n1 ZINC000329034238 511971047 /nfs/dbraw/zinc/97/10/47/511971047.db2.gz QWRKLXWVHBLDNV-UHFFFAOYSA-N 0 0 364.409 2.723 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000409127963 513099499 /nfs/dbraw/zinc/09/94/99/513099499.db2.gz DCKVJSVQCCDWKH-UHFFFAOYSA-N 0 0 371.393 2.688 40 5 FFBBRN COc1cccc(-c2noc(CN(C)C(=O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000217868004 525736903 /nfs/dbraw/zinc/73/69/03/525736903.db2.gz CSLVKGNLXLIZHF-UHFFFAOYSA-N 0 0 368.349 2.926 40 5 FFBBRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c(OC)c1 ZINC000022259372 211344715 /nfs/dbraw/zinc/34/47/15/211344715.db2.gz XYCOLDXWXNZDAP-UHFFFAOYSA-N 0 0 362.338 2.638 40 5 FFBBRN O=C1c2ccccc2N(Cc2cccc([N+](=O)[O-])c2)C(=O)[C@H]2CCCN12 ZINC000020798466 211297913 /nfs/dbraw/zinc/29/79/13/211297913.db2.gz PAABNFGLMVWODT-QGZVFWFLSA-N 0 0 351.362 2.746 40 5 FFBBRN O=[N+]([O-])c1ccccc1Cn1nc(Br)nc1Br ZINC000067799180 221286830 /nfs/dbraw/zinc/28/68/30/221286830.db2.gz NGISIPSFTIIUBK-UHFFFAOYSA-N 0 0 361.981 2.760 40 5 FFBBRN CN(c1ccc([N+](=O)[O-])cc1)c1c2nonc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100249636 222239576 /nfs/dbraw/zinc/23/95/76/222239576.db2.gz FTDVODVPTIRNGY-UHFFFAOYSA-N 0 0 360.242 2.715 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000010646881 263366500 /nfs/dbraw/zinc/36/65/00/263366500.db2.gz LGBIMQAPTSKVRO-UHFFFAOYSA-N 0 0 359.294 2.607 40 5 FFBBRN COc1ccc(CC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000003436596 506330899 /nfs/dbraw/zinc/33/08/99/506330899.db2.gz INAJOBQREFBMGS-UHFFFAOYSA-N 0 0 358.350 2.636 40 5 FFBBRN COC(=O)/C=C\COc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000005385063 506438755 /nfs/dbraw/zinc/43/87/55/506438755.db2.gz HDFRDZXNFSPCEX-DAXSKMNVSA-N 0 0 370.361 2.633 40 5 FFBBRN CC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000006124559 506469841 /nfs/dbraw/zinc/46/98/41/506469841.db2.gz UNYXHQVYPPCDCE-UHFFFAOYSA-N 0 0 369.377 2.886 40 5 FFBBRN O=C([O-])C1CC[NH+](Cc2c(-c3ccco3)nc3ccc([N+](=O)[O-])cn32)CC1 ZINC000006740888 506502150 /nfs/dbraw/zinc/50/21/50/506502150.db2.gz GDJZDIGBPAZGQU-UHFFFAOYSA-N 0 0 370.365 2.799 40 5 FFBBRN Cc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000047227559 507287473 /nfs/dbraw/zinc/28/74/73/507287473.db2.gz ILVGOJXFIJXNRW-UHFFFAOYSA-N 0 0 369.421 2.665 40 5 FFBBRN N[C@@H](c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534010 508197882 /nfs/dbraw/zinc/19/78/82/508197882.db2.gz XSJBUVKENWWYNB-OAHLLOKOSA-N 0 0 359.773 2.993 40 5 FFBBRN C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)[C@H]1C ZINC000253565587 509897074 /nfs/dbraw/zinc/89/70/74/509897074.db2.gz HXJZZMAXHPAFJU-BIENJYKASA-N 0 0 366.465 2.906 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 ZINC000408640004 513090260 /nfs/dbraw/zinc/09/02/60/513090260.db2.gz HCZPUDMXMQQQIZ-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN COc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408657681 513090355 /nfs/dbraw/zinc/09/03/55/513090355.db2.gz IUUIQVYMYYIZLT-GFCCVEGCSA-N 0 0 356.334 2.562 40 5 FFBBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408643720 513090588 /nfs/dbraw/zinc/09/05/88/513090588.db2.gz RISSGTQYHUEBRF-GFCCVEGCSA-N 0 0 355.350 2.595 40 5 FFBBRN CN1C(=O)N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409188916 513100299 /nfs/dbraw/zinc/10/02/99/513100299.db2.gz KLKJOCDDEIZHQK-XNTDXEJSSA-N 0 0 353.334 2.696 40 5 FFBBRN COCCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000409249843 513101345 /nfs/dbraw/zinc/10/13/45/513101345.db2.gz LWJHYAXAPJDKMT-UKTHLTGXSA-N 0 0 352.368 2.676 40 5 FFBBRN CSC1=NN2[C@@H](C(=O)N1)c1ccccc1N[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000588229079 518757954 /nfs/dbraw/zinc/75/79/54/518757954.db2.gz CNPRMHUGEBLPII-CABCVRRESA-N 0 0 369.406 2.826 40 5 FFBBRN CNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329069970 210134674 /nfs/dbraw/zinc/13/46/74/210134674.db2.gz ZBXSDKUWUKFJBN-UHFFFAOYSA-N 0 0 356.773 2.729 40 5 FFBBRN O=C(c1nc2ccc(Cl)cc2[nH]c1=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000017211916 211182290 /nfs/dbraw/zinc/18/22/90/211182290.db2.gz DAGRAJRLTRMOGW-AWEZNQCLSA-N 0 0 359.725 2.813 40 5 FFBBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000015198024 211123268 /nfs/dbraw/zinc/12/32/68/211123268.db2.gz QIIAWYAGBLNGRP-LBPRGKRZSA-N 0 0 362.407 2.798 40 5 FFBBRN O=[N+]([O-])c1ccc(CCCn2cnc3c2ncnc3Cl)c([N+](=O)[O-])c1 ZINC000001657432 506267064 /nfs/dbraw/zinc/26/70/64/506267064.db2.gz PEHWAONZPJFGEG-UHFFFAOYSA-N 0 0 362.733 2.929 40 5 FFBBRN COc1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000007929528 506603760 /nfs/dbraw/zinc/60/37/60/506603760.db2.gz UHAQCJWGCGMHEW-ZDUSSCGKSA-N 0 0 370.361 2.870 40 5 FFBBRN O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1cccs1 ZINC000011565762 506781220 /nfs/dbraw/zinc/78/12/20/506781220.db2.gz ORKHKMBLLDKLOS-UHFFFAOYSA-N 0 0 359.315 2.802 40 5 FFBBRN O=[N+]([O-])c1ccccc1N1CN(CCc2ccccc2)CC([N+](=O)[O-])=N1 ZINC000020522115 507224601 /nfs/dbraw/zinc/22/46/01/507224601.db2.gz NRESFDSZGRJAAQ-UHFFFAOYSA-N 0 0 355.354 2.507 40 5 FFBBRN CCOc1ccc([C@@H](N)c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1OC ZINC000095534233 508197869 /nfs/dbraw/zinc/19/78/69/508197869.db2.gz RDCKUSZUTWWTSA-MRXNPFEDSA-N 0 0 369.381 2.835 40 5 FFBBRN C[C@]1(CBr)[C@H]2CC[C@]1(C)C(=O)[C@@]2(Br)[N+](=O)[O-] ZINC000253485714 509884187 /nfs/dbraw/zinc/88/41/87/509884187.db2.gz QNOPRINAANCQME-PRQTWWFRSA-N 0 0 355.026 2.755 40 5 FFBBRN C[C@@H]1CCC[C@H](n2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)[C@H]1C ZINC000253565588 509897889 /nfs/dbraw/zinc/89/78/89/509897889.db2.gz HXJZZMAXHPAFJU-TYILLQQXSA-N 0 0 366.465 2.906 40 5 FFBBRN Cc1c(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000408624852 513090125 /nfs/dbraw/zinc/09/01/25/513090125.db2.gz CPJOXLWOPNATNA-UHFFFAOYSA-N 0 0 373.390 2.801 40 5 FFBBRN CC(C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329028378 210130160 /nfs/dbraw/zinc/13/01/60/210130160.db2.gz PUIUPSITCAXQFO-UHFFFAOYSA-N 0 0 368.372 2.994 40 5 FFBBRN CCc1c(C)nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[nH]c1=O ZINC000006667754 210091280 /nfs/dbraw/zinc/09/12/80/210091280.db2.gz VGDAJZQPLJYFLM-UHFFFAOYSA-N 0 0 362.411 2.588 40 5 FFBBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000000822632 219326846 /nfs/dbraw/zinc/32/68/46/219326846.db2.gz LWCWMGPPLZYHPT-XNTDXEJSSA-N 0 0 352.302 2.726 40 5 FFBBRN CC(=O)n1c(C)nc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(C)=O ZINC000016777070 211168693 /nfs/dbraw/zinc/16/86/93/211168693.db2.gz XUNZXKTXCNOEDX-UHFFFAOYSA-N 0 0 359.367 2.580 40 5 FFBBRN Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000001085611 210314791 /nfs/dbraw/zinc/31/47/91/210314791.db2.gz QXAHWWQWEQTFSI-UHFFFAOYSA-N 0 0 366.377 2.574 40 5 FFBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100953850 222257631 /nfs/dbraw/zinc/25/76/31/222257631.db2.gz HLNKGSVZLHRENR-UHFFFAOYSA-N 0 0 350.218 2.803 40 5 FFBBRN O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009979859 263362696 /nfs/dbraw/zinc/36/26/96/263362696.db2.gz RWJSLLPSKYHNRG-UHFFFAOYSA-N 0 0 367.405 2.763 40 5 FFBBRN O=C(NCc1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981318 506411464 /nfs/dbraw/zinc/41/14/64/506411464.db2.gz LVGLAMQBIXGDFU-QGZVFWFLSA-N 0 0 368.393 2.908 40 5 FFBBRN CCOC(=O)C[C@H](C(=O)OCC)c1nc2cccc3cccc([nH]c1=O)c32 ZINC000005574893 506450223 /nfs/dbraw/zinc/45/02/23/506450223.db2.gz RWCZUQFLXHNDGH-ZDUSSCGKSA-N 0 0 368.389 2.676 40 5 FFBBRN O=C(N[C@H]1C=Nc2ccc([N+](=O)[O-])cc2NC1=O)c1ccc(Cl)cc1 ZINC000006512250 506486522 /nfs/dbraw/zinc/48/65/22/506486522.db2.gz WMBXQATVYXLVRX-AWEZNQCLSA-N 0 0 358.741 2.701 40 5 FFBBRN CC(C)[C@H](C(=O)N1CCCCCC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000008471595 506652779 /nfs/dbraw/zinc/65/27/79/506652779.db2.gz FIPIULYQDUTQBW-MRXNPFEDSA-N 0 0 373.409 2.618 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3=C(C)C)[C@@H]2C1=O ZINC000012379194 506856328 /nfs/dbraw/zinc/85/63/28/506856328.db2.gz UJMIUWDBMSNVBU-OGRXGRENSA-N 0 0 354.362 2.861 40 5 FFBBRN Cc1nccn1-c1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000044884343 506896031 /nfs/dbraw/zinc/89/60/31/506896031.db2.gz UHDCLCOCKTVFLD-UHFFFAOYSA-N 0 0 350.378 2.948 40 5 FFBBRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000059417694 507500669 /nfs/dbraw/zinc/50/06/69/507500669.db2.gz LAWSWTSPSOYTKH-LBPRGKRZSA-N 0 0 355.350 2.595 40 5 FFBBRN Cc1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000096590530 508215180 /nfs/dbraw/zinc/21/51/80/508215180.db2.gz YCBLAKUEYTZSTB-OAHLLOKOSA-N 0 0 353.378 2.890 40 5 FFBBRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222400862 509315674 /nfs/dbraw/zinc/31/56/74/509315674.db2.gz YKOCXFKJSGBBFI-OAHLLOKOSA-N 0 0 369.421 2.609 40 5 FFBBRN CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225007581 509362629 /nfs/dbraw/zinc/36/26/29/509362629.db2.gz AWPTUIYXOSXTPX-UHFFFAOYSA-N 0 0 364.379 2.581 40 5 FFBBRN COC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000224753197 222820309 /nfs/dbraw/zinc/82/03/09/222820309.db2.gz XRSBDHVAELCLCO-UHFFFAOYSA-N 0 0 364.379 2.515 40 5 FFBBRN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000014256196 211088502 /nfs/dbraw/zinc/08/85/02/211088502.db2.gz RLSHLUHRIDDSKO-UHFFFAOYSA-N 0 0 352.368 2.721 40 5 FFBBRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000007720627 210750010 /nfs/dbraw/zinc/75/00/10/210750010.db2.gz AFFLUVYJYGBAFF-UHFFFAOYSA-N 0 0 368.349 2.926 40 5 FFBBRN Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3cc(Cl)ccc3nc-2c1=O ZINC000001619729 210362835 /nfs/dbraw/zinc/36/28/35/210362835.db2.gz GJTZPMOIPVBQSW-UHFFFAOYSA-N 0 0 373.199 2.891 40 5 FFBBRN O=[N+]([O-])c1cccc(-n2cccc2C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)c1 ZINC000409330797 263548993 /nfs/dbraw/zinc/54/89/93/263548993.db2.gz MVHWDQAKCCZROK-VOTSOKGWSA-N 0 0 369.293 2.665 40 5 FFBBRN Cc1c(NC(=O)C(F)(F)F)cc([N+](=O)[O-])cc1NC(=O)C(F)(F)F ZINC000003145259 506311283 /nfs/dbraw/zinc/31/12/83/506311283.db2.gz JZMMUKYIAVGDQY-UHFFFAOYSA-N 0 0 359.182 2.905 40 5 FFBBRN COc1cc([C@H]2Nn3c(nnc3-c3cccc([N+](=O)[O-])c3)S2)ccc1O ZINC000003843229 506349865 /nfs/dbraw/zinc/34/98/65/506349865.db2.gz YEQSAJDQLBEPSP-HNNXBMFYSA-N 0 0 371.378 2.916 40 5 FFBBRN Cc1ccccc1-n1ccc2nc3ccn(-c4cc[nH]n4)c(=O)c3cc2c1=O ZINC000040399077 506482154 /nfs/dbraw/zinc/48/21/54/506482154.db2.gz NCNBVRAAAZVAOU-UHFFFAOYSA-N 0 0 369.384 2.721 40 5 FFBBRN O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12 ZINC000020673497 507231355 /nfs/dbraw/zinc/23/13/55/507231355.db2.gz GZOARWBJLORFLD-UHFFFAOYSA-N 0 0 351.366 2.884 40 5 FFBBRN COc1ccc(C=CC(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408626530 513090064 /nfs/dbraw/zinc/09/00/64/513090064.db2.gz HXDRRBMALLSDBZ-NYYWCZLTSA-N 0 0 372.406 2.634 40 5 FFBBRN COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O2)cc1 ZINC000408842331 513094786 /nfs/dbraw/zinc/09/47/86/513094786.db2.gz KIYBCWFGVPHPSD-RIYZIHGNSA-N 0 0 369.289 2.856 40 5 FFBBRN CC(C)(C)OC(=O)N1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000091365897 534840901 /nfs/dbraw/zinc/84/09/01/534840901.db2.gz NHMCEXBPVQTNQC-UHFFFAOYSA-N 0 0 359.386 2.595 40 5 FFBBRN CCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccn2)n1 ZINC000329038610 210132437 /nfs/dbraw/zinc/13/24/37/210132437.db2.gz RTAXUBBZEDEBTQ-UHFFFAOYSA-N 0 0 354.345 2.605 40 5 FFBBRN O=[N+]([O-])c1cc(Nc2cc(-c3ccncc3)nc(NC3CC3)n2)ccc1F ZINC000328994520 210128975 /nfs/dbraw/zinc/12/89/75/210128975.db2.gz JFEWGYKMMLYFCL-UHFFFAOYSA-N 0 0 366.356 2.748 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000224482920 222815227 /nfs/dbraw/zinc/81/52/27/222815227.db2.gz AXROBTBSYIXJQZ-UHFFFAOYSA-N 0 0 364.423 2.710 40 5 FFBBRN CC1=NN(C(=O)c2ccc(N(C)C)cc2)[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1 ZINC000005250087 219665428 /nfs/dbraw/zinc/66/54/28/219665428.db2.gz YESAFJQSPJMDPZ-IBGZPJMESA-N 0 0 368.393 2.728 40 5 FFBBRN COc1ccc2[nH]c(=O)c(COC(=O)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC000021596691 211317380 /nfs/dbraw/zinc/31/73/80/211317380.db2.gz NEZQMEUOQZERLS-UHFFFAOYSA-N 0 0 354.318 2.802 40 5 FFBBRN Cc1c(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000015197347 211123373 /nfs/dbraw/zinc/12/33/73/211123373.db2.gz HAGNBDVDDKDFIN-LBPRGKRZSA-N 0 0 362.407 2.798 40 5 FFBBRN CCOc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000013613619 211044220 /nfs/dbraw/zinc/04/42/20/211044220.db2.gz OTMCYTNQWPPXGP-UHFFFAOYSA-N 0 0 350.396 2.780 40 5 FFBBRN COc1cc(OCC(=O)NCCSC2CCCC2)ccc1[N+](=O)[O-] ZINC000066021577 221238066 /nfs/dbraw/zinc/23/80/66/221238066.db2.gz ZBWHXCSHFQVQCC-UHFFFAOYSA-N 0 0 354.428 2.774 40 5 FFBBRN COc1ccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000066015435 221238084 /nfs/dbraw/zinc/23/80/84/221238084.db2.gz IWBCNSYZGQAIFT-UHFFFAOYSA-N 0 0 360.366 2.649 40 5 FFBBRN COc1cc(OCC(=O)N[C@H](C)COc2ccccc2C)ccc1[N+](=O)[O-] ZINC000066027614 221238144 /nfs/dbraw/zinc/23/81/44/221238144.db2.gz AXFUJYBPCBDDPI-CQSZACIVSA-N 0 0 374.393 2.874 40 5 FFBBRN Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C(Cl)(Cl)Cl)CC1 ZINC000070461926 132302651 /nfs/dbraw/zinc/30/26/51/132302651.db2.gz GQGQRSCYNLQXOS-UHFFFAOYSA-N 0 0 366.632 2.922 40 5 FFBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] ZINC000004155585 506362609 /nfs/dbraw/zinc/36/26/09/506362609.db2.gz TWECQWJBPJTYNL-XXHBBNRNSA-N 0 0 363.167 2.669 40 5 FFBBRN Nc1ncnc2nc(-c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3)[nH]c21 ZINC000004773369 506393159 /nfs/dbraw/zinc/39/31/59/506393159.db2.gz JAYZSBUJBMVMNC-UHFFFAOYSA-N 0 0 360.333 2.741 40 5 FFBBRN O=C(CCC(=O)OCc1ccccc1[N+](=O)[O-])Nc1cccc([N+](=O)[O-])c1 ZINC000006591840 506490921 /nfs/dbraw/zinc/49/09/21/506490921.db2.gz VVCVEHJYSNLCDE-UHFFFAOYSA-N 0 0 373.321 2.965 40 5 FFBBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000006954709 506520322 /nfs/dbraw/zinc/52/03/22/506520322.db2.gz GCMARNAGSCVIHT-UHFFFAOYSA-N 0 0 361.379 2.739 40 5 FFBBRN CCOC(=O)C1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)C(C)=C(C)N1 ZINC000054244997 506521658 /nfs/dbraw/zinc/52/16/58/506521658.db2.gz KCBMRXBARFGOCC-HNNXBMFYSA-N 0 0 374.393 2.956 40 5 FFBBRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000007928512 506604242 /nfs/dbraw/zinc/60/42/42/506604242.db2.gz BPDWUUOBEODFQL-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000020611777 507229655 /nfs/dbraw/zinc/22/96/55/507229655.db2.gz DUQWGSLXTUNMDA-UHFFFAOYSA-N 0 0 372.337 2.592 40 5 FFBBRN N[C@H](c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534011 508197904 /nfs/dbraw/zinc/19/79/04/508197904.db2.gz XSJBUVKENWWYNB-HNNXBMFYSA-N 0 0 359.773 2.993 40 5 FFBBRN CCOc1ccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000223736316 509347418 /nfs/dbraw/zinc/34/74/18/509347418.db2.gz UHAKDJCANLUPSW-UHFFFAOYSA-N 0 0 350.396 2.814 40 5 FFBBRN COc1cc(OCC(=O)NCCOc2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000224031406 509353077 /nfs/dbraw/zinc/35/30/77/509353077.db2.gz ZEFXULPSQGORSX-UHFFFAOYSA-N 0 0 374.393 2.794 40 5 FFBBRN CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224747522 509361526 /nfs/dbraw/zinc/36/15/26/509361526.db2.gz YDCJGPCQCYZXCU-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225003440 509362983 /nfs/dbraw/zinc/36/29/83/509362983.db2.gz GFKXURBNYJTMDA-UHFFFAOYSA-N 0 0 350.352 2.539 40 5 FFBBRN COc1c(O)ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)c1[N+](=O)[O-] ZINC000408720448 513092897 /nfs/dbraw/zinc/09/28/97/513092897.db2.gz PHBOCDNYLREJOQ-DUXPYHPUSA-N 0 0 357.244 2.994 40 5 FFBBRN COc1ccccc1CN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000022521826 211354451 /nfs/dbraw/zinc/35/44/51/211354451.db2.gz HGLSOBTUFCNLRC-UHFFFAOYSA-N 0 0 350.396 2.733 40 5 FFBBRN O=C1c2ccccc2N(Cc2cccc([N+](=O)[O-])c2)C(=O)[C@@H]2CCCN12 ZINC000020798462 211297699 /nfs/dbraw/zinc/29/76/99/211297699.db2.gz PAABNFGLMVWODT-KRWDZBQOSA-N 0 0 351.362 2.746 40 5 FFBBRN COc1ccc([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000020483367 211283136 /nfs/dbraw/zinc/28/31/36/211283136.db2.gz IWSZPIJXGPRDKL-LBPRGKRZSA-N 0 0 350.396 2.784 40 5 FFBBRN Cc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000032127838 506232939 /nfs/dbraw/zinc/23/29/39/506232939.db2.gz ZYBNVLYHCPQAEQ-UHFFFAOYSA-N 0 0 359.363 2.759 40 5 FFBBRN CC(=O)Oc1ccccc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000001041607 506246433 /nfs/dbraw/zinc/24/64/33/506246433.db2.gz GZHZFMNOBLXGKX-GDNBJRDFSA-N 0 0 352.302 2.865 40 5 FFBBRN O=C(NC(=S)NCCCNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000005007867 506414613 /nfs/dbraw/zinc/41/46/13/506414613.db2.gz NJDCDTZRCYPGTF-UHFFFAOYSA-N 0 0 364.452 2.763 40 5 FFBBRN CC(=O)c1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)cc1 ZINC000005900509 506461786 /nfs/dbraw/zinc/46/17/86/506461786.db2.gz XKQPGSKOUOSSQC-UHFFFAOYSA-N 0 0 353.132 2.535 40 5 FFBBRN CC(=O)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007929176 506603575 /nfs/dbraw/zinc/60/35/75/506603575.db2.gz VBKZEWQNZRQSAR-ZDUSSCGKSA-N 0 0 368.345 2.756 40 5 FFBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(Cl)(Cl)Cl ZINC000009062437 506679673 /nfs/dbraw/zinc/67/96/73/506679673.db2.gz RVTXLNMLFONOFO-UHFFFAOYSA-N 0 0 351.533 2.954 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(C)(=O)=O)c1C ZINC000010314530 506737962 /nfs/dbraw/zinc/73/79/62/506737962.db2.gz OHGKEEGXWXMDRY-UHFFFAOYSA-N 0 0 363.395 2.835 40 5 FFBBRN NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014258344 506983834 /nfs/dbraw/zinc/98/38/34/506983834.db2.gz JSFXXMVDHLNYDA-UHFFFAOYSA-N 0 0 354.366 2.546 40 5 FFBBRN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc([N+](=O)[O-])c1C ZINC000059596983 507502177 /nfs/dbraw/zinc/50/21/77/507502177.db2.gz QZIAYNOMEBVBJR-CXUHLZMHSA-N 0 0 351.387 2.982 40 5 FFBBRN COC(=O)c1ccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000030755443 507812786 /nfs/dbraw/zinc/81/27/86/507812786.db2.gz BTQAVGPHVSISJT-UHFFFAOYSA-N 0 0 364.379 2.632 40 5 FFBBRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222446267 509318167 /nfs/dbraw/zinc/31/81/67/509318167.db2.gz PORPBNXEMQTWBN-OAHLLOKOSA-N 0 0 369.421 2.609 40 5 FFBBRN CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225080463 509364423 /nfs/dbraw/zinc/36/44/23/509364423.db2.gz XKJSZWTXYOBKNK-UHFFFAOYSA-N 0 0 364.379 2.847 40 5 FFBBRN CCOC(=O)CN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000205677905 571141743 /nfs/dbraw/zinc/14/17/43/571141743.db2.gz JCGCSTUWSDLUPY-WWFUZLPXSA-N 0 0 362.363 2.750 40 5 FFBBRN COc1ccc(Nc2cc(C(F)(F)F)nc(NC(C)C)n2)c([N+](=O)[O-])c1 ZINC000328978766 210129059 /nfs/dbraw/zinc/12/90/59/210129059.db2.gz GAKSTAQDMAIIJY-UHFFFAOYSA-N 0 0 371.319 2.820 40 5 FFBBRN Cc1c(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000020039586 211266674 /nfs/dbraw/zinc/26/66/74/211266674.db2.gz HKWBPZIFXFVZQU-UHFFFAOYSA-N 0 0 351.340 2.753 40 5 FFBBRN O=c1[nH]n2cnnc2c(C=Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000016400218 211161172 /nfs/dbraw/zinc/16/11/72/211161172.db2.gz OFUQPNZMQNEARC-ZZXKWVIFSA-N 0 0 362.143 2.671 40 5 FFBBRN COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000016083810 211155770 /nfs/dbraw/zinc/15/57/70/211155770.db2.gz WFRLCIPFMHRUOH-GFCCVEGCSA-N 0 0 350.396 2.951 40 5 FFBBRN COc1ccc([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000014220410 211086156 /nfs/dbraw/zinc/08/61/56/211086156.db2.gz OEZSHOYXEYWWTN-NSHDSACASA-N 0 0 366.395 2.652 40 5 FFBBRN CC(=O)Nc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000001735678 210368400 /nfs/dbraw/zinc/36/84/00/210368400.db2.gz ZBOUJBDBBYWKSJ-CXUHLZMHSA-N 0 0 351.318 2.898 40 5 FFBBRN O=[N+]([O-])c1c(Br)cc(N2CCOCC2)cc1Br ZINC000066087527 132305649 /nfs/dbraw/zinc/30/56/49/132305649.db2.gz YUZOWEJVXRXAOB-UHFFFAOYSA-N 0 0 366.009 2.956 40 5 FFBBRN CCS(=O)(=O)c1sc2n[nH]c(N)c2c1-c1ccc([N+](=O)[O-])cc1 ZINC000096532183 222124206 /nfs/dbraw/zinc/12/42/06/222124206.db2.gz DYXOCHAQMXIRNR-UHFFFAOYSA-N 0 0 352.397 2.575 40 5 FFBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000039741470 263399731 /nfs/dbraw/zinc/39/97/31/263399731.db2.gz LTLANHLXFSNJTG-UHFFFAOYSA-N 0 0 355.266 2.805 40 5 FFBBRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br ZINC000005943993 506461254 /nfs/dbraw/zinc/46/12/54/506461254.db2.gz HTJWAVURXJMVGD-OZVVPTBGSA-N 0 0 363.167 2.669 40 5 FFBBRN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000006226452 506472920 /nfs/dbraw/zinc/47/29/20/506472920.db2.gz MOYOOXIAHPPMNM-UHFFFAOYSA-N 0 0 363.326 2.589 40 5 FFBBRN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000007363403 506556990 /nfs/dbraw/zinc/55/69/90/506556990.db2.gz LDQNYIJZYLUYHH-UHFFFAOYSA-N 0 0 364.379 2.799 40 5 FFBBRN CC(C)Nc1cc(N2CCN(C(=O)c3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000010231831 506734255 /nfs/dbraw/zinc/73/42/55/506734255.db2.gz CEMBXHIAKCRWIQ-UHFFFAOYSA-N 0 0 358.398 2.971 40 5 FFBBRN Cc1cc(C)nc(-n2nc3[nH]ccc(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)n1 ZINC000014163884 506973499 /nfs/dbraw/zinc/97/34/99/506973499.db2.gz SRFQGHJJWWKXOJ-UHFFFAOYSA-N 0 0 362.349 2.696 40 5 FFBBRN COc1ccccc1C(=O)NC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000014257699 506984214 /nfs/dbraw/zinc/98/42/14/506984214.db2.gz OHMKPEJKVAXJSY-UHFFFAOYSA-N 0 0 361.379 2.739 40 5 FFBBRN Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000016445798 507090069 /nfs/dbraw/zinc/09/00/69/507090069.db2.gz MZZWTTADGFWESJ-UHFFFAOYSA-N 0 0 368.437 2.660 40 5 FFBBRN CCOc1ccc([C@@H](N)c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1OC ZINC000095534237 508197593 /nfs/dbraw/zinc/19/75/93/508197593.db2.gz MHNDYUAFGXMHEJ-MRXNPFEDSA-N 0 0 369.381 2.835 40 5 FFBBRN Nc1[nH]c(=O)nc(-c2cccc([N+](=O)[O-])c2)c1C(=S)Nc1ccccc1 ZINC000095619081 508197596 /nfs/dbraw/zinc/19/75/96/508197596.db2.gz URKONKBYDQZAAD-UHFFFAOYSA-N 0 0 367.390 2.715 40 5 FFBBRN COc1ccc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000219826321 509292217 /nfs/dbraw/zinc/29/22/17/509292217.db2.gz LNZDAZGFCZPXTL-GFCCVEGCSA-N 0 0 360.366 2.868 40 5 FFBBRN COc1ccccc1CCCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000219824794 509292499 /nfs/dbraw/zinc/29/24/99/509292499.db2.gz WEKULFFJZGPBTK-UHFFFAOYSA-N 0 0 374.393 2.740 40 5 FFBBRN Cc1cccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000223924171 509351389 /nfs/dbraw/zinc/35/13/89/509351389.db2.gz QRVGNYIXQDNTFJ-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN COC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000225031548 509362870 /nfs/dbraw/zinc/36/28/70/509362870.db2.gz HAHQDMYPNSXOBX-UHFFFAOYSA-N 0 0 364.379 2.515 40 5 FFBBRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000225000035 509363176 /nfs/dbraw/zinc/36/31/76/509363176.db2.gz ZNYVJWKCAVSCIL-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN O=C(NC(=S)Nc1cccnc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408626422 513090180 /nfs/dbraw/zinc/09/01/80/513090180.db2.gz HGNINPKQDOTOBT-UHFFFAOYSA-N 0 0 371.422 2.717 40 5 FFBBRN CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000409195606 513100376 /nfs/dbraw/zinc/10/03/76/513100376.db2.gz UIGZHYYNMLEKTN-MHWRWJLKSA-N 0 0 353.334 2.696 40 5 FFBBRN CNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000329066943 529833388 /nfs/dbraw/zinc/83/33/88/529833388.db2.gz YEZHRPQMHYHXPC-UHFFFAOYSA-N 0 0 356.773 2.729 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCc1ccc(F)cc1 ZINC000013672981 220083167 /nfs/dbraw/zinc/08/31/67/220083167.db2.gz BJJGCOWJKZQTCY-UHFFFAOYSA-N 0 0 352.387 2.953 40 5 FFBBRN COc1cc(OCC(=O)N[C@@H](C)COc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000067087192 221247864 /nfs/dbraw/zinc/24/78/64/221247864.db2.gz FUALLZHVYIOHDG-AWEZNQCLSA-N 0 0 374.393 2.874 40 5 FFBBRN Cc1nnc(Sc2c(Cl)cc(C(=O)OC(C)C)cc2[N+](=O)[O-])n1N ZINC000070462500 221333059 /nfs/dbraw/zinc/33/30/59/221333059.db2.gz OELQTZKRCIJOMA-UHFFFAOYSA-N 0 0 371.806 2.578 40 5 FFBBRN CC[C@](Br)([C@@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC ZINC000096521656 222123306 /nfs/dbraw/zinc/12/33/06/222123306.db2.gz DWYYUUUTVODQRY-NWDGAFQWSA-N 0 0 366.233 2.564 40 5 FFBBRN O=C(NC[C@H]1CCCO1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000008470191 263355027 /nfs/dbraw/zinc/35/50/27/263355027.db2.gz NFAJNTSNCBLCIH-QGZVFWFLSA-N 0 0 369.377 2.756 40 5 FFBBRN COc1cccc(CCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000010543462 263366339 /nfs/dbraw/zinc/36/63/39/263366339.db2.gz CLGGBDREYBLGNB-UHFFFAOYSA-N 0 0 364.423 2.823 40 5 FFBBRN CC(C)Oc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000010543837 263366417 /nfs/dbraw/zinc/36/64/17/263366417.db2.gz UUDOEPYUKVYBKN-UHFFFAOYSA-N 0 0 350.396 2.861 40 5 FFBBRN CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000004066655 506356114 /nfs/dbraw/zinc/35/61/14/506356114.db2.gz MPOGNXFBWLAWGZ-JMPLFQLZSA-N 0 0 359.382 2.955 40 5 FFBBRN CC(C)CN1C(=O)c2ccc(C(=O)Nc3ncc([N+](=O)[O-])s3)cc2C1=O ZINC000005497875 506446711 /nfs/dbraw/zinc/44/67/11/506446711.db2.gz BFWPZIKCUDZPKB-UHFFFAOYSA-N 0 0 374.378 2.556 40 5 FFBBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000006954694 506520304 /nfs/dbraw/zinc/52/03/04/506520304.db2.gz BKBXBVZXYUOJKZ-UHFFFAOYSA-N 0 0 361.379 2.739 40 5 FFBBRN COCCNC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000008105463 506622455 /nfs/dbraw/zinc/62/24/55/506622455.db2.gz ZJFWGNFHXNKZSW-MDZDMXLPSA-N 0 0 369.377 2.623 40 5 FFBBRN C=Cn1nnc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)n1 ZINC000010119611 506729125 /nfs/dbraw/zinc/72/91/25/506729125.db2.gz PDEXOMXDJDPAES-UHFFFAOYSA-N 0 0 350.747 2.802 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2c(c(C)n1)CCC2 ZINC000014137259 506969431 /nfs/dbraw/zinc/96/94/31/506969431.db2.gz RCPFHIJJLKUGAM-UHFFFAOYSA-N 0 0 374.422 2.921 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSc1ccccc1 ZINC000014399861 506989943 /nfs/dbraw/zinc/98/99/43/506989943.db2.gz WNKUQALOQBXFTR-UHFFFAOYSA-N 0 0 352.437 2.974 40 5 FFBBRN Cc1cc([N+](=O)[O-])ccc1-n1ccc2nc(N3CCCCC3)ncc2c1=O ZINC000019958933 507207773 /nfs/dbraw/zinc/20/77/73/507207773.db2.gz ZUFJGPDNARKDBS-UHFFFAOYSA-N 0 0 365.393 2.988 40 5 FFBBRN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc2nsnc2c1 ZINC000059294395 507496592 /nfs/dbraw/zinc/49/65/92/507496592.db2.gz BXLQYVSCJDWQGK-UHFFFAOYSA-N 0 0 359.392 2.726 40 5 FFBBRN Cn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc2c1=O ZINC000059474514 507500689 /nfs/dbraw/zinc/50/06/89/507500689.db2.gz OLMQQAHKPBJNNF-UHFFFAOYSA-N 0 0 358.335 2.901 40 5 FFBBRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000030873655 507814103 /nfs/dbraw/zinc/81/41/03/507814103.db2.gz DFLJLPRFYHNHTN-UHFFFAOYSA-N 0 0 369.786 2.872 40 5 FFBBRN CCc1nnc(SCc2ccc([N+](=O)[O-])cc2Br)n1N ZINC000073639564 507941555 /nfs/dbraw/zinc/94/15/55/507941555.db2.gz BPAJSNXXRSTDGB-UHFFFAOYSA-N 0 0 358.221 2.517 40 5 FFBBRN CCOc1ccc([C@H](N)c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1OC ZINC000095534232 508198148 /nfs/dbraw/zinc/19/81/48/508198148.db2.gz RDCKUSZUTWWTSA-INIZCTEOSA-N 0 0 369.381 2.835 40 5 FFBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCc2ccc(Cl)cc2)c1 ZINC000134025483 508482736 /nfs/dbraw/zinc/48/27/36/508482736.db2.gz BPOZWCFDGFGGKP-UHFFFAOYSA-N 0 0 354.815 2.910 40 5 FFBBRN COc1ccccc1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000216405233 509259743 /nfs/dbraw/zinc/25/97/43/509259743.db2.gz SFCQIGHCJIJSHD-UHFFFAOYSA-N 0 0 364.423 2.656 40 5 FFBBRN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217863432 509272726 /nfs/dbraw/zinc/27/27/26/509272726.db2.gz PRTCNACHEGPMSN-INIZCTEOSA-N 0 0 362.407 2.879 40 5 FFBBRN CCOc1cccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000223736222 509347479 /nfs/dbraw/zinc/34/74/79/509347479.db2.gz UYPFXZZIUDBIAF-UHFFFAOYSA-N 0 0 350.396 2.814 40 5 FFBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cn1 ZINC000225872356 509391771 /nfs/dbraw/zinc/39/17/71/509391771.db2.gz RZKJJZXIIDXDIW-UHFFFAOYSA-N 0 0 357.366 2.685 40 5 FFBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000408624235 513089757 /nfs/dbraw/zinc/08/97/57/513089757.db2.gz BTLWJFVRQLVUPQ-UHFFFAOYSA-N 0 0 373.390 2.801 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000408643036 513090116 /nfs/dbraw/zinc/09/01/16/513090116.db2.gz OLVOXHMGELIYRC-NSHDSACASA-N 0 0 373.340 2.734 40 5 FFBBRN COc1cccc(-c2noc(CNC(=O)Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000218161950 525736876 /nfs/dbraw/zinc/73/68/76/525736876.db2.gz RLWZQOZLLMQGCP-UHFFFAOYSA-N 0 0 368.349 2.512 40 5 FFBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222922924 222758093 /nfs/dbraw/zinc/75/80/93/222758093.db2.gz NBHLOUMEOUAQPA-QGZVFWFLSA-N 0 0 369.421 2.691 40 5 FFBBRN COC(=O)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000934322 219342214 /nfs/dbraw/zinc/34/22/14/219342214.db2.gz TZTRYRKMYQRNNJ-UHFFFAOYSA-N 0 0 359.363 2.508 40 5 FFBBRN CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224745853 222820475 /nfs/dbraw/zinc/82/04/75/222820475.db2.gz NZYYLXMFQBXNFQ-UHFFFAOYSA-N 0 0 364.379 2.597 40 5 FFBBRN O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013425015 220067412 /nfs/dbraw/zinc/06/74/12/220067412.db2.gz NTGMXMKDDRWXQC-WBMJQRKESA-N 0 0 362.382 2.714 40 5 FFBBRN C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)[C@@H]1C ZINC000040398664 220905760 /nfs/dbraw/zinc/90/57/60/220905760.db2.gz HXJZZMAXHPAFJU-PJIJBLCYSA-N 0 0 366.465 2.906 40 5 FFBBRN COc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000109109115 222442977 /nfs/dbraw/zinc/44/29/77/222442977.db2.gz XTTCDWGQYSRGJU-UHFFFAOYSA-N 0 0 366.395 2.746 40 5 FFBBRN Cc1ccc(S(=O)(=O)NCCCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000010543311 263366536 /nfs/dbraw/zinc/36/65/36/263366536.db2.gz VMJWWQXERLFGEO-UHFFFAOYSA-N 0 0 352.387 2.953 40 5 FFBBRN Cc1ccc(C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000002748217 506290044 /nfs/dbraw/zinc/29/00/44/506290044.db2.gz OJWZAJFFBBKTEM-UHFFFAOYSA-N 0 0 358.306 2.780 40 5 FFBBRN Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccnc1 ZINC000004976620 506410778 /nfs/dbraw/zinc/41/07/78/506410778.db2.gz BITOXYQLRJVHST-UHFFFAOYSA-N 0 0 370.394 2.516 40 5 FFBBRN Cc1c(Cl)c(C(F)(F)F)nn1CCCNc1n[nH]cc1[N+](=O)[O-] ZINC000006526864 506485799 /nfs/dbraw/zinc/48/57/99/506485799.db2.gz UQUADTNWUBKKCL-UHFFFAOYSA-N 0 0 352.704 2.997 40 5 FFBBRN CCCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000007342120 506553877 /nfs/dbraw/zinc/55/38/77/506553877.db2.gz JOOJNEGXDMUYMN-UHFFFAOYSA-N 0 0 352.372 2.670 40 5 FFBBRN CC(=O)Nc1ccc(-c2nc(Sc3ccc([N+](=O)[O-])cn3)n[nH]2)cc1 ZINC000007365864 506558996 /nfs/dbraw/zinc/55/89/96/506558996.db2.gz JCQZJAOKZCSESG-UHFFFAOYSA-N 0 0 356.367 2.885 40 5 FFBBRN COc1ccc(C(=O)COC(=O)CCC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000008433946 506650791 /nfs/dbraw/zinc/65/07/91/506650791.db2.gz NBIOUJWZIXBGSL-UHFFFAOYSA-N 0 0 371.345 2.992 40 5 FFBBRN CCC(=O)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010039578 506722510 /nfs/dbraw/zinc/72/25/10/506722510.db2.gz CBVLJHUPWZBYAM-UHFFFAOYSA-N 0 0 358.350 2.957 40 5 FFBBRN CCOc1cc([C@H](N)c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)ccc1OC ZINC000095534380 508197599 /nfs/dbraw/zinc/19/75/99/508197599.db2.gz GOMJIXHWKZVWES-INIZCTEOSA-N 0 0 369.381 2.835 40 5 FFBBRN COC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000224755384 509360705 /nfs/dbraw/zinc/36/07/05/509360705.db2.gz RGTXLZXCMHQBBB-UHFFFAOYSA-N 0 0 364.379 2.515 40 5 FFBBRN COc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000224811410 509361462 /nfs/dbraw/zinc/36/14/62/509361462.db2.gz IYZFSYIMKQPGBK-UHFFFAOYSA-N 0 0 366.395 2.746 40 5 FFBBRN CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225032958 509364563 /nfs/dbraw/zinc/36/45/63/509364563.db2.gz QGTKNVMRQVCYNF-UHFFFAOYSA-N 0 0 351.340 2.718 40 5 FFBBRN CN1C[C@H](c2ccc(Cl)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408568307 513088069 /nfs/dbraw/zinc/08/80/69/513088069.db2.gz SXXTXEUWOOOPFR-MZMPZRCHSA-N 0 0 357.797 2.862 40 5 FFBBRN COc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409063486 513098151 /nfs/dbraw/zinc/09/81/51/513098151.db2.gz LRHBODFKVWWNTF-FPLPWBNLSA-N 0 0 373.321 2.868 40 5 FFBBRN CCCSc1n[n+]2c(C)nc3ccc(Br)cc3c2c(=O)[n-]1 ZINC000588227680 518757946 /nfs/dbraw/zinc/75/79/46/518757946.db2.gz YPQWRUNQUWCFNB-UHFFFAOYSA-O 0 0 366.264 2.630 40 5 FFBBRN CCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccnc2)n1 ZINC000329021271 527996355 /nfs/dbraw/zinc/99/63/55/527996355.db2.gz OFMVUCCWVUOONU-UHFFFAOYSA-N 0 0 354.345 2.605 40 5 FFBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000205678667 571141750 /nfs/dbraw/zinc/14/17/50/571141750.db2.gz XDZGIBFWDVQSBM-IZZDOVSWSA-N 0 0 370.770 2.848 40 5 FFBBRN Cc1ccc(NC(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 ZINC000000869937 219334772 /nfs/dbraw/zinc/33/47/72/219334772.db2.gz WJHJCUUBJGYCCV-UHFFFAOYSA-N 0 0 352.354 2.504 40 5 FFBBRN COc1cc(OCC(=O)NCCOc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000223951407 222801827 /nfs/dbraw/zinc/80/18/27/222801827.db2.gz OWFRNQNAXOSADD-UHFFFAOYSA-N 0 0 374.393 2.794 40 5 FFBBRN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000035183150 220774368 /nfs/dbraw/zinc/77/43/68/220774368.db2.gz WTZMWVYGTPUZFA-IRXDYDNUSA-N 0 0 351.362 2.853 40 5 FFBBRN COc1ccc(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000065086499 221168962 /nfs/dbraw/zinc/16/89/62/221168962.db2.gz FTHFFGGDKPXPCF-UHFFFAOYSA-N 0 0 358.394 2.904 40 5 FFBBRN COc1cccc(CCCNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000066434386 221245104 /nfs/dbraw/zinc/24/51/04/221245104.db2.gz BWJSQUYALDVSQD-UHFFFAOYSA-N 0 0 374.393 2.740 40 5 FFBBRN CC[C@@](Br)(C(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC ZINC000096518714 222122872 /nfs/dbraw/zinc/12/28/72/222122872.db2.gz DHPXOYHDBFGMPP-LBPRGKRZSA-N 0 0 364.217 2.713 40 5 FFBBRN CC[C@@](Br)([C@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC ZINC000096521650 222123881 /nfs/dbraw/zinc/12/38/81/222123881.db2.gz DWYYUUUTVODQRY-NEPJUHHUSA-N 0 0 366.233 2.564 40 5 FFBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCOc2ccccc2Cl)c1 ZINC000160072567 222555838 /nfs/dbraw/zinc/55/58/38/222555838.db2.gz VTWIPNKDVISXSH-UHFFFAOYSA-N 0 0 370.814 2.747 40 5 FFBBRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000039918376 506453726 /nfs/dbraw/zinc/45/37/26/506453726.db2.gz UIVBDFXUTUMKES-CYBMUJFWSA-N 0 0 369.377 2.985 40 5 FFBBRN C[C@H]1[C@H](n2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)CCC[C@@H]1C ZINC000040398665 506481679 /nfs/dbraw/zinc/48/16/79/506481679.db2.gz HXJZZMAXHPAFJU-IQUTYRLHSA-N 0 0 366.465 2.906 40 5 FFBBRN CCCC(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000006592684 506490301 /nfs/dbraw/zinc/49/03/01/506490301.db2.gz ZEUBBMCJJXIEKD-UHFFFAOYSA-N 0 0 370.862 2.571 40 5 FFBBRN COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000007928507 506604513 /nfs/dbraw/zinc/60/45/13/506604513.db2.gz GWTPMQDJSYVIBX-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000008902440 506671971 /nfs/dbraw/zinc/67/19/71/506671971.db2.gz VTPHXMLQAVLOSA-UHFFFAOYSA-N 0 0 372.337 2.592 40 5 FFBBRN CCOc1ccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000010448824 506742615 /nfs/dbraw/zinc/74/26/15/506742615.db2.gz IKUMRNXLXXXUII-UHFFFAOYSA-N 0 0 350.396 2.780 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3=C(C)C)[C@@H]2C1=O ZINC000012379201 506855769 /nfs/dbraw/zinc/85/57/69/506855769.db2.gz RTUNLQSOBPMNDX-OGRXGRENSA-N 0 0 354.362 2.861 40 5 FFBBRN COc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000045402436 506960964 /nfs/dbraw/zinc/96/09/64/506960964.db2.gz YFZDWPVBBBFOCA-IZZDOVSWSA-N 0 0 372.377 2.950 40 5 FFBBRN COC(=O)c1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000014663362 506995117 /nfs/dbraw/zinc/99/51/17/506995117.db2.gz ZNKBUIMZUHNEAV-UHFFFAOYSA-N 0 0 359.294 2.850 40 5 FFBBRN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1OC ZINC000045651464 506996282 /nfs/dbraw/zinc/99/62/82/506996282.db2.gz LOIGVZWVXROFTF-UHFFFAOYSA-N 0 0 360.366 2.859 40 5 FFBBRN Cc1ccc(-n2ccc3nc(N4CCCCC4)ncc3c2=O)cc1[N+](=O)[O-] ZINC000019958889 507208128 /nfs/dbraw/zinc/20/81/28/507208128.db2.gz GBIQAIYXUPZSHQ-UHFFFAOYSA-N 0 0 365.393 2.988 40 5 FFBBRN Cc1ccc(N2C[C@@H](C(=O)OCc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000024522597 507417957 /nfs/dbraw/zinc/41/79/57/507417957.db2.gz VMZURHHTXLRPMW-HNNXBMFYSA-N 0 0 354.362 3.000 40 5 FFBBRN CCOC(=O)C(C(=O)OCC)c1ccc(Br)cc1[N+](=O)[O-] ZINC000072206762 507770629 /nfs/dbraw/zinc/77/06/29/507770629.db2.gz YXDNLQOEZJOXHS-UHFFFAOYSA-N 0 0 360.160 2.567 40 5 FFBBRN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cccc1N(C)S(C)(=O)=O ZINC000222432077 509316216 /nfs/dbraw/zinc/31/62/16/509316216.db2.gz PZDZDRYPUKFSTE-UHFFFAOYSA-N 0 0 363.395 2.551 40 5 FFBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222922867 509325709 /nfs/dbraw/zinc/32/57/09/509325709.db2.gz NBHLOUMEOUAQPA-KRWDZBQOSA-N 0 0 369.421 2.691 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000224142689 509356128 /nfs/dbraw/zinc/35/61/28/509356128.db2.gz QYEIASSJNIUCBG-UHFFFAOYSA-N 0 0 370.814 2.914 40 5 FFBBRN CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224776957 509361155 /nfs/dbraw/zinc/36/11/55/509361155.db2.gz TWZYRFDQRPYHPA-UHFFFAOYSA-N 0 0 364.379 2.847 40 5 FFBBRN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000224899771 509362246 /nfs/dbraw/zinc/36/22/46/509362246.db2.gz SEULVPFUWNQZSX-UHFFFAOYSA-N 0 0 363.395 2.687 40 5 FFBBRN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000408544517 513086152 /nfs/dbraw/zinc/08/61/52/513086152.db2.gz UMWGVJOBFCAIAT-UHFFFAOYSA-N 0 0 354.775 2.783 40 5 FFBBRN Cc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 ZINC000020611857 524721450 /nfs/dbraw/zinc/72/14/50/524721450.db2.gz OWKIAZUQBNRUIM-UHFFFAOYSA-N 0 0 371.393 2.757 40 5 FFBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(C)C)[C@@H]2C1=O ZINC000015659627 220158028 /nfs/dbraw/zinc/15/80/28/220158028.db2.gz UJMIUWDBMSNVBU-LZDSYCOUSA-N 0 0 354.362 2.861 40 5 FFBBRN C[C@@H]1CCCC[C@@H]1n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O ZINC000040398658 220905288 /nfs/dbraw/zinc/90/52/88/220905288.db2.gz HYHQXMUAMWABSY-ACJLOTCBSA-N 0 0 352.438 2.660 40 5 FFBBRN Cc1cccc(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000060568222 221131758 /nfs/dbraw/zinc/13/17/58/221131758.db2.gz OXGKKHADNQEDEI-UHFFFAOYSA-N 0 0 350.396 2.569 40 5 FFBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000032516919 506262642 /nfs/dbraw/zinc/26/26/42/506262642.db2.gz UZWLRDUJSNHEBW-UHFFFAOYSA-N 0 0 372.337 2.592 40 5 FFBBRN Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000003504224 506337976 /nfs/dbraw/zinc/33/79/76/506337976.db2.gz ZJFLSQDBTHDXJZ-UHFFFAOYSA-N 0 0 370.394 2.610 40 5 FFBBRN O=C(CSc1n[nH]c(-c2ccccc2O)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004129510 506361258 /nfs/dbraw/zinc/36/12/58/506361258.db2.gz JVGPZZOVPUCQFC-UHFFFAOYSA-N 0 0 371.378 2.816 40 5 FFBBRN CCCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 ZINC000007605457 506573398 /nfs/dbraw/zinc/57/33/98/506573398.db2.gz XIPVDINRZNDQFE-UHFFFAOYSA-N 0 0 352.372 2.670 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000007881847 506598367 /nfs/dbraw/zinc/59/83/67/506598367.db2.gz KFTCHJTUJZILQE-GFCCVEGCSA-N 0 0 355.350 2.595 40 5 FFBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 ZINC000007882453 506598957 /nfs/dbraw/zinc/59/89/57/506598957.db2.gz HBIIDHLTPACOMJ-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN Cc1nnc(NC(=O)CCCC(=O)OCc2ccccc2[N+](=O)[O-])s1 ZINC000008474123 506652831 /nfs/dbraw/zinc/65/28/31/506652831.db2.gz CVTPOOUOOCSFPR-UHFFFAOYSA-N 0 0 364.383 2.607 40 5 FFBBRN COCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014412225 506991141 /nfs/dbraw/zinc/99/11/41/506991141.db2.gz UCYGBZZFOATICA-UHFFFAOYSA-N 0 0 357.366 2.532 40 5 FFBBRN Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 ZINC000020611858 507230177 /nfs/dbraw/zinc/23/01/77/507230177.db2.gz RUQJGULJCZYRGK-UHFFFAOYSA-N 0 0 371.393 2.757 40 5 FFBBRN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000078234642 507848334 /nfs/dbraw/zinc/84/83/34/507848334.db2.gz PQIYQWSDHGJIEN-UHFFFAOYSA-N 0 0 363.395 2.687 40 5 FFBBRN O=C(/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1)NCc1ccco1 ZINC000107761530 507866216 /nfs/dbraw/zinc/86/62/16/507866216.db2.gz DFAMYWXBTLYPJI-VOTSOKGWSA-N 0 0 350.334 2.974 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000078435738 507871078 /nfs/dbraw/zinc/87/10/78/507871078.db2.gz DVXGKKMMCBGEMG-UHFFFAOYSA-N 0 0 355.394 2.988 40 5 FFBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225215227 509367835 /nfs/dbraw/zinc/36/78/35/509367835.db2.gz WMZYXANEMQLRCU-OAHLLOKOSA-N 0 0 369.421 2.609 40 5 FFBBRN Cn1c(SCC(=O)Nc2ccccn2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409145553 513099173 /nfs/dbraw/zinc/09/91/73/513099173.db2.gz RDOJEFIKBYGBMS-UHFFFAOYSA-N 0 0 370.394 2.516 40 5 FFBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409178667 513100396 /nfs/dbraw/zinc/10/03/96/513100396.db2.gz NPXPRXQDQWLGNM-UHFFFAOYSA-N 0 0 357.318 2.868 40 5 FFBBRN COc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225872700 222877222 /nfs/dbraw/zinc/87/72/22/222877222.db2.gz XCWPPOIJUAATOQ-UHFFFAOYSA-N 0 0 371.393 2.994 40 5 FFBBRN CNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)nc1NC1CCCCC1 ZINC000020059564 220310507 /nfs/dbraw/zinc/31/05/07/220310507.db2.gz ZMHYHSUSEXVNGX-UHFFFAOYSA-N 0 0 365.437 2.655 40 5 FFBBRN CCCCOC(=O)c1cc(Cl)c(N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000070462660 136138378 /nfs/dbraw/zinc/13/83/78/136138378.db2.gz NWVNCRLBJBZSNB-UHFFFAOYSA-N 0 0 355.822 2.957 40 5 FFBBRN CCCCOC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000059369960 263418598 /nfs/dbraw/zinc/41/85/98/263418598.db2.gz MGGNUNGNJOHIOL-OAHLLOKOSA-N 0 0 371.865 2.548 40 5 FFBBRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000038754892 506444410 /nfs/dbraw/zinc/44/44/10/506444410.db2.gz YCYUCBHLNBVMSC-LBPRGKRZSA-N 0 0 350.396 2.951 40 5 FFBBRN Cc1ccc(-n2ccc3nc4ccn(-c5cc[nH]n5)c(=O)c4cc3c2=O)cc1 ZINC000040399075 506481402 /nfs/dbraw/zinc/48/14/02/506481402.db2.gz QCZNHRLQLUTWIT-UHFFFAOYSA-N 0 0 369.384 2.721 40 5 FFBBRN Cc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000008272507 506636924 /nfs/dbraw/zinc/63/69/24/506636924.db2.gz DRDVXRNFXWRMDB-UHFFFAOYSA-N 0 0 366.377 2.574 40 5 FFBBRN COc1cccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000009064279 506682135 /nfs/dbraw/zinc/68/21/35/506682135.db2.gz WLJKZIMDHGSCIO-UHFFFAOYSA-N 0 0 361.379 2.739 40 5 FFBBRN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000011213965 506769601 /nfs/dbraw/zinc/76/96/01/506769601.db2.gz ZBFKWXYRFQLOKK-HNNXBMFYSA-N 0 0 373.390 2.821 40 5 FFBBRN CC(=O)N1CCN(c2ccc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc3c2)CC1 ZINC000045206853 506933707 /nfs/dbraw/zinc/93/37/07/506933707.db2.gz RWDRJKXODOAUFX-UHFFFAOYSA-N 0 0 365.393 2.807 40 5 FFBBRN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000045712577 507006388 /nfs/dbraw/zinc/00/63/88/507006388.db2.gz RBOJRTHSJJVQCR-UHFFFAOYSA-N 0 0 364.379 2.799 40 5 FFBBRN COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000020410760 507220240 /nfs/dbraw/zinc/22/02/40/507220240.db2.gz FGXXDEWHYAONPB-UHFFFAOYSA-N 0 0 357.366 2.692 40 5 FFBBRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000030862156 507814237 /nfs/dbraw/zinc/81/42/37/507814237.db2.gz YKZUCKYQJMJRJN-UHFFFAOYSA-N 0 0 364.379 2.713 40 5 FFBBRN CC(=O)NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000085346796 508303123 /nfs/dbraw/zinc/30/31/23/508303123.db2.gz INWWPXPAMISEDO-UHFFFAOYSA-N 0 0 353.128 2.894 40 5 FFBBRN Cc1c(C(N)=O)c2ccccc2n1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000216935060 509266355 /nfs/dbraw/zinc/26/63/55/509266355.db2.gz ACWOSLGGUCTMKH-UHFFFAOYSA-N 0 0 353.334 2.676 40 5 FFBBRN COc1cc(OC)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000218889782 509282423 /nfs/dbraw/zinc/28/24/23/509282423.db2.gz UAYUJAKUPCDYCI-UHFFFAOYSA-N 0 0 362.338 2.638 40 5 FFBBRN Cc1c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000222413711 509315824 /nfs/dbraw/zinc/31/58/24/509315824.db2.gz GPAMHUYHMRJEIP-UHFFFAOYSA-N 0 0 363.395 2.551 40 5 FFBBRN CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225007992 509363210 /nfs/dbraw/zinc/36/32/10/509363210.db2.gz UITBFSXQBPPQFX-UHFFFAOYSA-N 0 0 351.340 2.718 40 5 FFBBRN CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408703581 513091116 /nfs/dbraw/zinc/09/11/16/513091116.db2.gz TYWPRMSIXAXTPS-UHFFFAOYSA-N 0 0 363.395 2.917 40 5 FFBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000409099202 513098704 /nfs/dbraw/zinc/09/87/04/513098704.db2.gz KAMHJYPBQVAEGO-PKTIUJEHSA-N 0 0 370.770 2.846 40 5 FFBBRN Cc1cccc(-c2noc(CNC(=O)Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000218161739 524132721 /nfs/dbraw/zinc/13/27/21/524132721.db2.gz QSIALKROJZGDCD-UHFFFAOYSA-N 0 0 352.350 2.812 40 5 FFBBRN COc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000020483365 525158511 /nfs/dbraw/zinc/15/85/11/525158511.db2.gz IWSZPIJXGPRDKL-GFCCVEGCSA-N 0 0 350.396 2.784 40 5 FFBBRN CCNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329015833 527996588 /nfs/dbraw/zinc/99/65/88/527996588.db2.gz NCIJNNQRLOLCEN-UHFFFAOYSA-N 0 0 354.345 2.605 40 5 FFBBRN COCCCN1C(=S)N[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@H]2C ZINC000002686054 219457134 /nfs/dbraw/zinc/45/71/34/219457134.db2.gz XRMJGIYUXDPIPP-FSBGKCOPSA-N 0 0 351.428 2.607 40 5 FFBBRN CC[C@](Br)(C(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC ZINC000096518715 222122802 /nfs/dbraw/zinc/12/28/02/222122802.db2.gz DHPXOYHDBFGMPP-GFCCVEGCSA-N 0 0 364.217 2.713 40 5 FFBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000032517619 263393611 /nfs/dbraw/zinc/39/36/11/263393611.db2.gz HNEDKLLAAZTCSS-JTQLQIEISA-N 0 0 361.304 2.865 40 5 FFBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1O ZINC000409410928 263556716 /nfs/dbraw/zinc/55/67/16/263556716.db2.gz AQOAIYYAMJCKOM-UHFFFAOYSA-N 0 0 350.714 2.749 40 5 FFBBRN C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000007882625 506598926 /nfs/dbraw/zinc/59/89/26/506598926.db2.gz GJTGAOBGRKWAAX-ZFWWWQNUSA-N 0 0 353.378 2.825 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C)cc2)CC1=O ZINC000007928433 506604202 /nfs/dbraw/zinc/60/42/02/506604202.db2.gz OJHLUEZNLJRMRR-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN Cc1c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000008331207 506643995 /nfs/dbraw/zinc/64/39/95/506643995.db2.gz MGINCRQUMGCAAQ-UHFFFAOYSA-N 0 0 363.395 2.551 40 5 FFBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000008336523 506644126 /nfs/dbraw/zinc/64/41/26/506644126.db2.gz BSRUAHZSVWNDNW-UHFFFAOYSA-N 0 0 357.318 2.868 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000223976218 509351439 /nfs/dbraw/zinc/35/14/39/509351439.db2.gz KRHNSJGVQWYNQR-UHFFFAOYSA-N 0 0 364.423 2.877 40 5 FFBBRN CCc1ccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000223985189 509353810 /nfs/dbraw/zinc/35/38/10/509353810.db2.gz LJSHQGKDXYKHGH-UHFFFAOYSA-N 0 0 350.396 2.515 40 5 FFBBRN CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224746567 509360868 /nfs/dbraw/zinc/36/08/68/509360868.db2.gz RDLNEKYHBIHPCD-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN Cc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000224784873 509361359 /nfs/dbraw/zinc/36/13/59/509361359.db2.gz ANDJKZSDXNVZDP-UHFFFAOYSA-N 0 0 365.367 2.945 40 5 FFBBRN CC(C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000329022139 529111855 /nfs/dbraw/zinc/11/18/55/529111855.db2.gz OKZYBVQDDUZNRK-UHFFFAOYSA-N 0 0 368.372 2.994 40 5 FFBBRN Cc1cc(C)c(NC(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 ZINC000000869941 219334185 /nfs/dbraw/zinc/33/41/85/219334185.db2.gz DKSAPGRCPOMCKH-UHFFFAOYSA-N 0 0 366.381 2.812 40 5 FFBBRN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000014234015 220118742 /nfs/dbraw/zinc/11/87/42/220118742.db2.gz FLOUGECVVLSSMH-NSHDSACASA-N 0 0 366.395 2.652 40 5 FFBBRN O=C(c1nc2ccc(Cl)cc2[nH]c1=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000016957819 220198766 /nfs/dbraw/zinc/19/87/66/220198766.db2.gz DAGRAJRLTRMOGW-CQSZACIVSA-N 0 0 359.725 2.813 40 5 FFBBRN CC[C@@](Br)([C@@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC ZINC000096521633 222123679 /nfs/dbraw/zinc/12/36/79/222123679.db2.gz RCKCXMZAOKNPDM-RYUDHWBXSA-N 0 0 366.233 2.564 40 5 FFBBRN O=C(Nc1cccnc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000021596055 263383722 /nfs/dbraw/zinc/38/37/22/263383722.db2.gz FGSXYQHRMNUQQN-UHFFFAOYSA-N 0 0 362.773 2.732 40 5 FFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 ZINC000408626104 263483212 /nfs/dbraw/zinc/48/32/12/263483212.db2.gz ZTNIGOYVZYYRDV-UHFFFAOYSA-N 0 0 373.390 2.801 40 5 FFBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1 ZINC000007688823 506582470 /nfs/dbraw/zinc/58/24/70/506582470.db2.gz PMTOHRCWQNHBCC-UHFFFAOYSA-N 0 0 370.427 2.946 40 5 FFBBRN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000007882338 506599015 /nfs/dbraw/zinc/59/90/15/506599015.db2.gz NZRKABMFCGCMPF-ZDUSSCGKSA-N 0 0 369.377 2.903 40 5 FFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(F)cc2)CC1=O ZINC000007928430 506604407 /nfs/dbraw/zinc/60/44/07/506604407.db2.gz CBNNHRTUGAZMAG-NSHDSACASA-N 0 0 373.340 2.734 40 5 FFBBRN Cn1c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2n(C)c1=O ZINC000042645536 506649266 /nfs/dbraw/zinc/64/92/66/506649266.db2.gz YEXYPCBMLPFDFT-UHFFFAOYSA-N 0 0 360.757 2.691 40 5 FFBBRN CC(C)[C@@H](C(=O)N1CCCCCC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000008471592 506653047 /nfs/dbraw/zinc/65/30/47/506653047.db2.gz FIPIULYQDUTQBW-INIZCTEOSA-N 0 0 373.409 2.618 40 5 FFBBRN Cc1cccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000008902548 506672921 /nfs/dbraw/zinc/67/29/21/506672921.db2.gz YEWYCMBSWZYRLL-UHFFFAOYSA-N 0 0 371.393 2.757 40 5 FFBBRN COc1ccc(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013674583 506949165 /nfs/dbraw/zinc/94/91/65/506949165.db2.gz AZPYHFJTEHBWJZ-UHFFFAOYSA-N 0 0 350.396 2.515 40 5 FFBBRN COc1ccc(C(=O)NC(=S)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000057315823 507237394 /nfs/dbraw/zinc/23/73/94/507237394.db2.gz LFVYFPNYAZHHJJ-UHFFFAOYSA-N 0 0 366.786 2.779 40 5 FFBBRN CC1CCN(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000080403351 508070478 /nfs/dbraw/zinc/07/04/78/508070478.db2.gz RFZNZVKGXKZKGC-UHFFFAOYSA-N 0 0 359.426 2.706 40 5 FFBBRN COc1ccccc1[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000146590685 508852715 /nfs/dbraw/zinc/85/27/15/508852715.db2.gz KHEACQFTADFIFL-LBPRGKRZSA-N 0 0 360.366 2.868 40 5 FFBBRN Cc1ccc(OCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000224482834 509358182 /nfs/dbraw/zinc/35/81/82/509358182.db2.gz GLZWFWUMJSBBMQ-UHFFFAOYSA-N 0 0 364.423 2.710 40 5 FFBBRN COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000224788231 509360954 /nfs/dbraw/zinc/36/09/54/509360954.db2.gz OQKGTGIJZPHBSZ-UHFFFAOYSA-N 0 0 364.379 2.515 40 5 FFBBRN O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccccc1[N+](=O)[O-] ZINC000408628748 513090661 /nfs/dbraw/zinc/09/06/61/513090661.db2.gz WXKMASUBPVMSHN-UHFFFAOYSA-N 0 0 369.358 2.828 40 5 FFBBRN COc1ccccc1CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000019933089 524436890 /nfs/dbraw/zinc/43/68/90/524436890.db2.gz WIDVKNQKSQNTSD-UHFFFAOYSA-N 0 0 350.396 2.565 40 5 FFBBRN Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000020106892 527385330 /nfs/dbraw/zinc/38/53/30/527385330.db2.gz FWDUVYOVHJIVJI-UHFFFAOYSA-N 0 0 372.406 2.567 40 5 FFBBRN CC(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329016398 529112572 /nfs/dbraw/zinc/11/25/72/529112572.db2.gz NFNHUCFFFYKYBJ-UHFFFAOYSA-N 0 0 364.409 2.723 40 5 FFBBRN CCOc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000224599321 222815778 /nfs/dbraw/zinc/81/57/78/222815778.db2.gz BHHIMNKIOQVFLF-UHFFFAOYSA-N 0 0 366.395 2.827 40 5 FFBBRN O=C1Nc2ccc(Br)cc2[C@@]1(O)Cc1cccc([N+](=O)[O-])c1 ZINC000005328105 219671059 /nfs/dbraw/zinc/67/10/59/219671059.db2.gz YSSXYMPQDKWLDG-HNNXBMFYSA-N 0 0 363.167 2.740 40 5 FFBBRN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000013233742 220061898 /nfs/dbraw/zinc/06/18/98/220061898.db2.gz YTGCMIIQLZMGCM-UHFFFAOYSA-N 0 0 369.337 2.742 40 5 FFBBRN Nc1cc(=O)[nH]c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000016476987 220185361 /nfs/dbraw/zinc/18/53/61/220185361.db2.gz UKTODVOSPOXOHW-UHFFFAOYSA-N 0 0 368.374 2.643 40 5 FFBBRN Cc1cccc(-n2ccc3nc4ccn(-c5cc[nH]n5)c(=O)c4cc3c2=O)c1 ZINC000040399076 220905893 /nfs/dbraw/zinc/90/58/93/220905893.db2.gz XJJGUAHNUFAQCQ-UHFFFAOYSA-N 0 0 369.384 2.721 40 5 FFBBRN CCS(=O)(=O)c1sc2n[nH]c(N)c2c1-c1cccc([N+](=O)[O-])c1 ZINC000096532187 222123660 /nfs/dbraw/zinc/12/36/60/222123660.db2.gz VQELFGAFWYKOOI-UHFFFAOYSA-N 0 0 352.397 2.575 40 5 FFBBRN CC1(C)[C@@H]2C[C@@](C)(O)[C@H](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000004104768 506358500 /nfs/dbraw/zinc/35/85/00/506358500.db2.gz DOQGAWGDESPWSO-ZOMKSWQUSA-N 0 0 364.354 2.845 40 5 biogenic,in-vitro FFBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000006275797 506474457 /nfs/dbraw/zinc/47/44/57/506474457.db2.gz UQQQYHXXLGVHCJ-UHFFFAOYSA-N 0 0 372.406 2.988 40 5 FFBBRN COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000007928513 506603907 /nfs/dbraw/zinc/60/39/07/506603907.db2.gz NVWKEZNQZSXRCQ-CYBMUJFWSA-N 0 0 369.377 2.903 40 5 FFBBRN O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000008381742 506647642 /nfs/dbraw/zinc/64/76/42/506647642.db2.gz SGAJMGPOCXXWNJ-UHFFFAOYSA-N 0 0 355.379 2.906 40 5 FFBBRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000059417693 507500284 /nfs/dbraw/zinc/50/02/84/507500284.db2.gz LAWSWTSPSOYTKH-GFCCVEGCSA-N 0 0 355.350 2.595 40 5 FFBBRN CCCc1ccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000223985494 509353846 /nfs/dbraw/zinc/35/38/46/509353846.db2.gz ZBVOIBNRCSYXOX-UHFFFAOYSA-N 0 0 364.423 2.905 40 5 FFBBRN